#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pga s SER 5004N 0.00 -0.72 0.00 4.39 0.15 -1.26 -4.04 113.70 112.22 2pga s SER 5004Ca 0.00 1.32 0.26 0.00 0.70 0.00 0.00 55.95 58.23 2pga s SER 5004Cb 0.00 1.30 0.64 0.00 -1.71 0.00 0.00 66.02 66.24 2pga s SER 5004CO 0.00 -0.23 1.50 0.47 1.20 0.00 0.00 173.24 176.19 2pga n ASP 5005N 3.15 1.89 -4.22 5.45 8.00 0.11 -4.89 116.55 126.04 2pga n ASP 5005Ca -0.16 -1.53 -0.13 0.00 0.71 0.00 0.00 54.79 53.69 2pga n ASP 5005Cb 0.56 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 2pga n ASP 5005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2pga s VAL 5006N -2.15 0.82 0.19 2.53 -7.23 -1.23 -5.04 120.40 108.29 2pga s VAL 5006Ca 0.30 -1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 2pga s VAL 5006Cb 0.20 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 35.14 2pga s VAL 5006CO 0.39 -0.67 1.46 0.15 -0.31 0.00 0.00 175.10 176.12 2pga h PHE 5007N 2.80 0.51 0.00 2.82 3.57 -1.94 -3.40 116.94 121.30 2pga h PHE 5007Ca -0.36 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 60.85 2pga h PHE 5007Cb 1.19 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2pga h PHE 5007CO 0.58 0.96 -1.28 0.72 -2.23 0.00 0.00 178.31 177.06 2pga n HIS 5008N -3.85 0.00 0.22 0.41 8.25 -1.26 -4.78 115.22 114.21 2pga n HIS 5008Ca -0.04 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.53 2pga n HIS 5008Cb 0.68 -0.19 0.36 0.00 1.12 0.00 0.00 29.99 31.96 2pga n HIS 5008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2pga h LEU 5009N 0.00 0.00 0.70 2.41 3.38 -1.93 -3.44 115.31 116.43 2pga h LEU 5009Ca -0.11 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.66 2pga h LEU 5009Cb 1.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.97 2pga h LEU 5009CO -0.01 0.18 -0.29 0.61 0.09 0.00 0.00 178.44 179.03 2pga n GLY 5010N 0.54 0.03 3.31 0.83 0.00 -1.26 -4.68 105.19 103.97 2pga n GLY 5010Ca 0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2pga n GLY 5010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 5011N -3.34 2.35 0.33 0.99 1.43 -1.26 -4.69 118.68 114.49 2pga s LEU 5011Ca 0.09 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 52.52 2pga s LEU 5011Cb -0.04 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2pga s LEU 5011CO 0.12 0.04 0.13 0.42 0.23 0.00 0.00 176.35 177.28 2pga s THR 5012N -1.47 3.15 0.29 5.49 -4.23 -1.26 0.08 115.64 117.69 2pga s THR 5012Ca 0.11 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 2pga s THR 5012Cb -0.08 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 71.06 2pga s THR 5012CO 0.05 -0.21 1.86 0.11 -0.54 0.00 0.00 174.62 175.88 2pga h LYS 5013N 1.58 0.98 -0.88 3.99 1.57 -1.96 -1.50 116.57 120.35 2pga h LYS 5013Ca -0.44 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 58.37 2pga h LYS 5013Cb 1.25 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 33.28 2pga h LYS 5013CO 0.63 0.65 0.57 -0.97 -0.57 0.00 0.00 179.45 179.75 2pga h ASN 5014N 1.01 0.81 -0.46 0.86 -1.24 -1.95 -1.23 115.58 113.37 2pga h ASN 5014Ca 0.47 0.02 0.07 0.00 0.71 0.00 0.00 56.30 57.57 2pga h ASN 5014Cb 0.42 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 2pga h ASN 5014CO -0.23 0.49 0.31 0.44 -1.29 0.00 0.00 177.43 177.15 2pga h ASP 5015N 0.90 0.29 1.42 1.15 3.45 -1.66 -2.17 116.42 119.79 2pga h ASP 5015Ca 0.40 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.84 2pga h ASP 5015Cb 0.36 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 2pga h ASP 5015CO -0.16 0.18 -0.09 -0.07 -1.57 0.00 0.00 179.24 177.54 2pga h LEU 5016N 0.33 0.00 -1.25 1.55 4.07 -1.26 -3.48 115.31 115.26 2pga h LEU 5016Ca 0.21 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.67 2pga h LEU 5016Cb 0.40 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.05 2pga h LEU 5016CO -0.05 0.09 -0.81 0.00 -1.08 0.00 0.00 178.44 176.59 2pga n GLN 5017N -3.16 -4.29 -0.69 1.13 6.02 -0.82 -1.46 117.38 114.11 2pga n GLN 5017Ca 0.02 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 2pga n GLN 5017Cb 0.45 -5.17 0.00 0.00 1.02 0.00 0.00 30.24 26.54 2pga n GLN 5017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pga n GLY 5018N -1.63 0.80 3.71 1.08 0.00 -1.26 -4.62 105.19 103.27 2pga n GLY 5018Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2pga n GLY 5018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga n ALA 5019N 0.08 1.48 -0.09 4.61 0.00 -0.53 -4.87 120.51 121.18 2pga n ALA 5019Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2pga n ALA 5019Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.17 2pga n ALA 5019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pga n GLN 5020N 0.45 1.56 -4.62 0.00 6.02 -1.26 -4.29 117.38 115.24 2pga n GLN 5020Ca 0.04 -0.28 -0.23 0.00 -0.01 0.00 0.00 57.00 56.52 2pga n GLN 5020Cb 0.37 -0.76 -0.16 0.00 1.02 0.00 0.00 30.24 30.72 2pga n GLN 5020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2pga s LEU 5021N -0.61 1.83 -0.04 1.08 0.20 -1.26 -0.03 118.68 119.85 2pga s LEU 5021Ca 0.00 -0.28 0.04 0.00 0.69 0.00 0.00 54.13 54.59 2pga s LEU 5021Cb 0.00 -0.78 -0.00 0.00 -0.43 0.00 0.00 46.19 44.98 2pga s LEU 5021CO 0.00 0.10 -0.17 0.00 -0.29 0.00 0.00 176.35 175.99 2pga s ALA 5022N 0.17 1.54 -0.12 5.97 0.00 -0.07 -1.25 121.76 128.02 2pga s ALA 5022Ca -0.05 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 2pga s ALA 5022Cb -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2pga s ALA 5022CO 0.02 0.29 0.52 0.42 0.00 0.00 0.00 175.76 177.00 2pga s ILE 5023N -0.02 5.16 -0.50 0.00 1.01 0.37 -1.00 121.20 126.23 2pga s ILE 5023Ca -0.03 1.04 0.03 0.00 0.00 0.00 0.00 60.65 61.69 2pga s ILE 5023Cb -0.11 -3.86 0.14 0.00 0.01 0.00 0.00 42.46 38.64 2pga s ILE 5023CO 0.02 0.30 0.28 0.68 0.00 0.00 0.00 174.94 176.22 2pga s VAL 5024N 0.73 2.05 0.83 2.92 -7.23 0.37 -1.34 120.40 118.73 2pga s VAL 5024Ca 0.28 -3.09 -0.12 0.00 -1.81 0.00 0.00 61.98 57.24 2pga s VAL 5024Cb -0.16 -2.42 0.09 0.00 0.56 0.00 0.00 36.38 34.46 2pga s VAL 5024CO 0.11 -0.88 1.15 -2.16 -0.31 0.00 0.00 175.10 173.01 2pga s PRO 5025N -0.14 1.77 0.00 4.82 0.04 -1.24 -3.41 135.00 136.84 2pga s PRO 5025Ca 0.19 0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 2pga s PRO 5025Cb -0.22 -1.91 -0.34 0.00 0.04 0.00 0.00 34.50 32.06 2pga s PRO 5025CO -0.02 -1.76 0.92 0.78 0.04 0.00 0.00 177.00 176.96 2pga h GLY 5026N -1.18 0.56 -6.99 0.56 0.00 -1.85 -1.41 103.07 92.76 2pga h GLY 5026Ca -0.48 -1.43 -0.62 0.00 0.00 0.00 0.00 47.33 44.80 2pga h GLY 5026CO 0.64 1.25 -0.20 -0.35 0.00 0.00 0.00 176.54 177.88 2pga s ASP 5027N -7.46 6.32 0.48 0.19 -1.08 -1.26 -1.43 116.67 112.44 2pga s ASP 5027Ca -0.11 0.38 0.25 0.00 -0.52 0.00 0.00 52.55 52.55 2pga s ASP 5027Cb 0.04 -2.22 1.30 0.00 -1.46 0.00 0.00 42.92 40.57 2pga s ASP 5027CO 0.92 -0.17 1.89 -0.65 0.52 0.00 0.00 175.17 177.67 2pga h PRO 5028N 7.94 0.17 0.00 4.34 0.11 -1.89 0.21 132.00 142.88 2pga h PRO 5028Ca -0.32 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 2pga h PRO 5028Cb 1.16 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2pga h PRO 5028CO 0.67 0.11 -0.07 0.93 -0.21 0.00 0.00 178.00 179.44 2pga h GLU 5029N 0.18 0.00 0.00 1.05 3.07 -1.97 -2.43 114.58 114.48 2pga h GLU 5029Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 2pga h GLU 5029Cb 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 2pga h GLU 5029CO -0.08 0.07 -0.41 -2.13 -1.40 0.00 0.00 179.01 175.06 2pga n ARG 5030N -3.79 0.22 0.18 2.33 0.00 0.06 -4.28 116.66 111.38 2pga n ARG 5030Ca -0.02 0.10 -0.14 0.00 -0.00 0.00 0.00 57.85 57.78 2pga n ARG 5030Cb 0.17 -1.68 -0.08 0.00 0.00 0.00 0.00 32.46 30.87 2pga n ARG 5030CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2pga h VAL 5031N 0.00 0.73 -0.81 5.15 2.07 -1.49 -2.21 116.25 119.69 2pga h VAL 5031Ca 0.00 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2pga h VAL 5031Cb 0.69 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2pga h VAL 5031CO 0.00 0.01 0.53 -0.08 0.02 0.00 0.00 177.57 178.06 2pga h GLU 5032N -0.41 0.96 -0.46 1.57 4.81 -1.76 -1.18 114.58 118.10 2pga h GLU 5032Ca -0.04 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 2pga h GLU 5032Cb 0.31 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2pga h GLU 5032CO 0.06 0.63 0.08 0.87 -0.73 0.00 0.00 179.01 179.93 2pga h LYS 5033N 0.99 0.77 -0.27 1.92 1.57 -1.70 -0.10 116.57 119.74 2pga h LYS 5033Ca 0.33 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2pga h LYS 5033Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2pga h LYS 5033CO -0.10 0.78 -0.02 0.82 -0.57 0.00 0.00 179.45 180.36 2pga h ILE 5034N 0.63 1.27 -0.90 1.86 2.04 -1.11 -3.04 117.51 118.27 2pga h ILE 5034Ca 0.14 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.07 2pga h ILE 5034Cb 0.38 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 2pga h ILE 5034CO 0.01 0.31 0.58 0.00 0.00 0.00 0.00 178.15 179.05 2pga h ALA 5035N 0.80 1.49 0.00 1.87 0.00 -1.02 -2.06 119.26 120.34 2pga h ALA 5035Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pga h ALA 5035Cb 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2pga h ALA 5035CO 0.02 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2pga n ALA 5036N -2.40 1.27 1.29 0.00 0.00 -0.07 -1.29 120.51 119.30 2pga n ALA 5036Ca 0.13 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.86 2pga n ALA 5036Cb 0.16 -1.34 0.56 0.00 0.00 0.00 0.00 19.45 18.84 2pga n ALA 5036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pga n LEU 5037N -2.23 0.40 0.00 0.00 4.77 -0.77 -4.89 117.00 114.28 2pga n LEU 5037Ca -0.00 0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 2pga n LEU 5037Cb 0.10 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2pga n LEU 5037CO 0.13 0.08 -0.02 0.23 -1.33 0.00 0.00 177.39 176.48 2pga n MET 5038N -1.11 0.95 -3.17 3.23 2.81 -0.41 -5.12 117.12 114.30 2pga n MET 5038Ca 0.12 -2.62 -0.34 0.00 -1.81 0.00 0.00 57.70 53.05 2pga n MET 5038Cb 0.30 0.43 -0.06 0.00 -0.71 0.00 0.00 33.22 33.17 2pga n MET 5038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2pga s ASP 5039N -3.30 6.86 -1.38 7.83 -0.00 0.20 -4.42 116.67 122.46 2pga s ASP 5039Ca 0.16 1.27 -0.00 0.00 -0.00 0.00 0.00 52.55 53.98 2pga s ASP 5039Cb -0.01 -2.37 -0.00 0.00 -0.00 0.00 0.00 42.92 40.54 2pga s ASP 5039CO 0.10 -0.08 0.49 0.29 -0.00 0.00 0.00 175.17 175.96 2pga n LYS 5040N 0.14 -3.67 -2.42 8.23 5.02 -1.26 -0.29 118.16 123.91 2pga n LYS 5040Ca 0.00 0.46 -0.41 0.00 -2.02 0.00 0.00 58.31 56.34 2pga n LYS 5040Cb 0.52 -4.68 -0.03 0.00 -0.02 0.00 0.00 35.03 30.81 2pga n LYS 5040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2pga s PRO 5041N -6.40 4.51 -0.02 1.97 0.04 -1.26 -4.44 135.00 129.40 2pga s PRO 5041Ca 0.00 1.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 2pga s PRO 5041Cb -0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2pga s PRO 5041CO 0.87 -0.08 0.08 0.54 0.04 0.00 0.00 177.00 178.45 2pga s VAL 5042N 0.09 0.03 0.35 -0.36 0.11 0.47 -4.99 120.40 116.10 2pga s VAL 5042Ca 0.53 -0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 59.03 2pga s VAL 5042Cb -0.31 -0.20 -0.11 0.00 -1.53 0.00 0.00 36.38 34.23 2pga s VAL 5042CO 0.35 -0.14 1.48 -0.75 -3.33 0.00 0.00 175.10 172.70 2pga s LYS 5043N -0.43 4.15 -0.01 1.54 2.47 -1.26 -0.40 119.74 125.80 2pga s LYS 5043Ca -0.05 2.51 -0.01 0.00 -1.56 0.00 0.00 55.97 56.85 2pga s LYS 5043Cb -0.03 -3.00 -0.00 0.00 -1.46 0.00 0.00 37.83 33.33 2pga s LYS 5043CO 0.00 -0.49 -0.03 1.28 0.16 0.00 0.00 175.35 176.27 2pga n LEU 5044N 0.89 0.21 -3.73 5.43 4.77 0.32 -4.80 117.00 120.10 2pga n LEU 5044Ca 0.02 0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 2pga n LEU 5044Cb 0.39 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 2pga n LEU 5044CO 0.63 -0.49 0.26 0.00 -1.33 0.00 0.00 177.39 176.46 2pga s ALA 5045N -2.64 -0.92 -0.16 -1.18 0.00 -1.01 -4.99 121.76 110.85 2pga s ALA 5045Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 2pga s ALA 5045Cb 0.00 0.85 0.08 0.00 0.00 0.00 0.00 23.12 24.05 2pga s ALA 5045CO 0.04 -0.79 0.20 0.45 0.00 0.00 0.00 175.76 175.66 2pga s SER 5046N -2.87 1.12 -0.02 0.00 0.15 -1.26 -0.78 113.70 110.04 2pga s SER 5046Ca 0.09 0.02 -0.00 0.00 0.70 0.00 0.00 55.95 56.75 2pga s SER 5046Cb -0.01 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.70 2pga s SER 5046CO -0.03 -0.29 0.04 -1.00 1.20 0.00 0.00 173.24 173.15 2pga s HIS 5047N 2.32 0.02 0.00 3.44 3.76 -0.65 -5.00 115.29 119.18 2pga s HIS 5047Ca 0.05 0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2pga s HIS 5047Cb -0.14 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.31 2pga s HIS 5047CO -0.10 -0.10 0.00 0.54 -0.85 0.00 0.00 174.74 174.24 2pga n ARG 5048N 4.21 0.00 -0.18 1.40 5.12 -1.26 -0.84 116.66 125.11 2pga n ARG 5048Ca -0.27 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.69 2pga n ARG 5048Cb 0.50 0.00 0.13 0.00 -1.16 0.00 0.00 32.46 31.93 2pga n ARG 5048CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2pga n GLU 5049N 14.00 1.81 -3.46 5.56 0.00 -1.26 -4.70 120.64 132.59 2pga n GLU 5049Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 57.16 55.68 2pga n GLU 5049Cb 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 31.44 30.05 2pga n GLU 5049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2pga s PHE 5050N -1.63 3.51 -0.18 -1.84 0.40 -0.02 -3.74 117.98 114.48 2pga s PHE 5050Ca 0.19 -1.98 -0.07 0.00 -0.60 0.00 0.00 56.93 54.48 2pga s PHE 5050Cb 0.11 -3.61 -0.04 0.00 0.51 0.00 0.00 43.02 39.99 2pga s PHE 5050CO 0.12 -0.97 0.04 0.99 0.70 0.00 0.00 175.22 176.10 2pga s THR 5051N 0.70 4.60 -0.02 0.64 2.01 -1.26 -1.63 115.64 120.67 2pga s THR 5051Ca 0.12 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.07 2pga s THR 5051Cb -0.20 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 2pga s THR 5051CO -0.04 0.46 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.24 2pga s SER 5052N 0.43 2.07 0.16 3.53 1.04 0.04 -1.22 113.70 119.75 2pga s SER 5052Ca 0.02 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.19 2pga s SER 5052Cb -0.13 -0.30 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 2pga s SER 5052CO 0.01 0.20 -0.14 0.26 0.98 0.00 0.00 173.24 174.55 2pga s TRP 5053N -0.33 1.52 0.10 5.02 0.52 0.11 -0.52 118.94 125.36 2pga s TRP 5053Ca 0.05 -0.59 0.09 0.00 0.02 0.00 0.00 56.10 55.67 2pga s TRP 5053Cb -0.08 -0.75 -0.04 0.00 -1.15 0.00 0.00 33.47 31.45 2pga s TRP 5053CO -0.00 0.22 -0.22 0.50 0.02 0.00 0.00 176.95 177.47 2pga s ARG 5054N -3.20 1.71 0.00 4.98 3.52 0.47 -0.74 118.95 125.69 2pga s ARG 5054Ca 0.15 -1.20 0.00 0.00 -0.13 0.00 0.00 55.73 54.56 2pga s ARG 5054Cb -0.02 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 2pga s ARG 5054CO 0.04 0.48 0.00 0.00 -0.81 0.00 0.00 175.30 175.01 2pga n ALA 5055N 1.05 0.00 -3.29 6.12 0.00 -0.09 -0.40 120.51 123.91 2pga n ALA 5055Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 2pga n ALA 5055Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 2pga n ALA 5055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2pga s GLU 5056N -0.22 0.11 -0.07 0.00 2.12 0.61 -0.97 118.70 120.27 2pga s GLU 5056Ca 0.00 0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.57 2pga s GLU 5056Cb 0.00 -0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.37 2pga s GLU 5056CO 0.00 -0.08 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.04 2pga s LEU 5057N 0.50 1.47 -1.43 2.70 1.43 -0.12 -0.63 118.68 122.60 2pga s LEU 5057Ca -0.04 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 2pga s LEU 5057Cb -0.05 -0.77 0.09 0.00 0.03 0.00 0.00 46.19 45.48 2pga s LEU 5057CO -0.02 -0.02 0.65 0.47 0.23 0.00 0.00 176.35 177.66 2pga n ASP 5058N 4.16 -4.04 0.00 2.29 10.43 -1.26 -0.77 116.55 127.36 2pga n ASP 5058Ca -0.20 -0.57 0.00 0.00 2.57 0.00 0.00 54.79 56.59 2pga n ASP 5058Cb 0.51 -3.30 0.00 0.00 1.84 0.00 0.00 41.12 40.17 2pga n ASP 5058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pga n GLY 5059N -1.34 0.67 3.62 0.44 0.00 -1.26 -5.02 105.19 102.30 2pga n GLY 5059Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2pga n GLY 5059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pga s LYS 5060N -0.14 2.83 0.32 1.61 3.01 0.06 -5.09 119.74 122.33 2pga s LYS 5060Ca 0.00 -0.50 -0.29 0.00 -1.01 0.00 0.00 55.97 54.17 2pga s LYS 5060Cb 0.00 -2.67 -0.10 0.00 -1.01 0.00 0.00 37.83 34.05 2pga s LYS 5060CO 0.00 0.68 1.23 0.00 0.51 0.00 0.00 175.35 177.77 2pga s ALA 5061N -0.84 3.46 0.05 5.17 0.00 -1.26 -0.94 121.76 127.39 2pga s ALA 5061Ca 0.13 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.26 2pga s ALA 5061Cb -0.11 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2pga s ALA 5061CO 0.02 -0.47 -0.13 0.08 0.00 0.00 0.00 175.76 175.26 2pga s VAL 5062N -1.15 1.00 -0.04 0.00 1.01 -0.15 -4.15 120.40 116.92 2pga s VAL 5062Ca 0.47 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2pga s VAL 5062Cb -0.37 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 2pga s VAL 5062CO 0.49 -0.10 -0.03 -0.63 0.00 0.00 0.00 175.10 174.82 2pga s ILE 5063N -0.98 3.95 -0.12 2.22 -1.09 -0.38 -0.91 121.20 123.89 2pga s ILE 5063Ca -0.01 -0.52 0.03 0.00 -2.23 0.00 0.00 60.65 57.92 2pga s ILE 5063Cb -0.08 -2.69 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 2pga s ILE 5063CO 0.01 0.50 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.31 2pga s VAL 5064N -0.94 2.09 -0.14 2.92 1.01 0.08 -0.48 120.40 124.95 2pga s VAL 5064Ca 0.15 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 2pga s VAL 5064Cb -0.11 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.51 2pga s VAL 5064CO 0.05 0.55 0.31 0.00 0.00 0.00 0.00 175.10 176.02 2pga s SER 5066N 1.60 6.09 -0.00 0.00 1.04 -0.36 -3.64 113.70 118.43 2pga s SER 5066Ca -0.07 1.57 0.08 0.00 0.48 0.00 0.00 55.95 58.00 2pga s SER 5066Cb -0.10 -2.50 -0.10 0.00 0.10 0.00 0.00 66.02 63.42 2pga s SER 5066CO -0.10 -0.96 0.25 0.35 0.98 0.00 0.00 173.24 173.76 2pga n THR 5067N -2.40 0.00 -0.88 2.02 -2.24 -0.53 -4.39 114.28 105.86 2pga n THR 5067Ca 0.07 -0.26 0.02 0.00 -2.27 0.00 0.00 64.05 61.61 2pga n THR 5067Cb 0.54 0.69 -0.00 0.00 -2.10 0.00 0.00 70.33 69.45 2pga n THR 5067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pga n GLY 5068N 1.58 -2.19 3.70 3.38 0.00 -0.51 -3.12 105.19 108.03 2pga n GLY 5068Ca 0.00 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 2pga n GLY 5068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 5069N -0.92 5.02 0.00 -0.61 1.01 -1.26 -4.71 121.20 119.73 2pga s ILE 5069Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.05 2pga s ILE 5069Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2pga s ILE 5069CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2pga n GLY 5070N 3.32 1.39 0.32 6.18 0.00 -1.26 -4.57 105.19 110.57 2pga n GLY 5070Ca -0.01 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.23 2pga n GLY 5070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pga h GLY 5071N 0.00 1.37 0.96 -0.02 0.00 -1.86 -2.44 103.07 101.09 2pga h GLY 5071Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2pga h GLY 5071CO 0.00 0.15 0.08 -2.55 0.00 0.00 0.00 176.54 174.21 2pga h PRO 5072N 0.86 0.17 -0.23 4.80 0.11 -1.94 0.29 132.00 136.06 2pga h PRO 5072Ca 0.42 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.36 2pga h PRO 5072Cb 0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2pga h PRO 5072CO -0.25 0.17 -0.48 0.66 -0.21 0.00 0.00 178.00 177.89 2pga h SER 5073N 0.13 0.67 -0.85 -2.05 4.64 -1.78 -2.69 113.55 111.62 2pga h SER 5073Ca 0.05 -0.33 0.08 0.00 -0.47 0.00 0.00 61.79 61.12 2pga h SER 5073Cb 0.04 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 61.87 2pga h SER 5073CO -0.01 1.04 0.51 0.74 -0.87 0.00 0.00 176.83 178.24 2pga h THR 5074N 0.49 0.97 -0.24 2.95 2.02 -1.10 -1.88 112.91 116.13 2pga h THR 5074Ca 0.03 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 2pga h THR 5074Cb 1.02 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2pga h THR 5074CO 0.09 0.16 -0.18 0.77 0.37 0.00 0.00 175.52 176.74 2pga h SER 5075N 0.88 0.41 0.00 4.18 4.64 -0.10 -0.62 113.55 122.93 2pga h SER 5075Ca 0.39 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2pga h SER 5075Cb 0.29 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2pga h SER 5075CO -0.22 0.61 -0.00 0.40 -0.87 0.00 0.00 176.83 176.75 2pga h ILE 5076N 0.38 1.24 -0.49 0.95 2.04 -1.20 -2.25 117.51 118.18 2pga h ILE 5076Ca 0.07 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2pga h ILE 5076Cb 0.53 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2pga h ILE 5076CO 0.03 0.19 0.27 0.00 0.00 0.00 0.00 178.15 178.65 2pga h ALA 5077N 0.68 0.63 -0.38 1.87 0.00 -0.97 -1.36 119.26 119.73 2pga h ALA 5077Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2pga h ALA 5077Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2pga h ALA 5077CO 0.00 0.15 -0.09 0.28 0.00 0.00 0.00 179.25 179.58 2pga h VAL 5078N 0.65 1.28 -0.25 0.00 2.07 -1.18 -0.42 116.25 118.40 2pga h VAL 5078Ca 0.17 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 2pga h VAL 5078Cb 0.04 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2pga h VAL 5078CO -0.03 0.39 0.13 -0.08 0.02 0.00 0.00 177.57 178.00 2pga h GLU 5079N 0.53 0.35 -0.14 1.57 4.57 -1.23 0.55 114.58 120.77 2pga h GLU 5079Ca 0.10 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 2pga h GLU 5079Cb 0.61 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2pga h GLU 5079CO 0.04 0.32 -0.61 0.93 -1.18 0.00 0.00 179.01 178.51 2pga h GLU 5080N 0.28 0.48 -0.69 1.92 5.08 -1.16 -0.32 114.58 120.17 2pga h GLU 5080Ca 0.09 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 2pga h GLU 5080Cb 0.08 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2pga h GLU 5080CO -0.01 0.94 0.30 -0.07 -1.00 0.00 0.00 179.01 179.17 2pga h LEU 5081N 0.36 0.93 -0.88 1.33 3.38 -0.97 -2.10 115.31 117.35 2pga h LEU 5081Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2pga h LEU 5081Cb 1.15 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 2pga h LEU 5081CO 0.11 0.83 0.56 0.00 0.09 0.00 0.00 178.44 180.03 2pga h ALA 5082N 1.14 1.12 -0.44 1.53 0.00 -0.42 -0.34 119.26 121.86 2pga h ALA 5082Ca 0.23 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2pga h ALA 5082Cb 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2pga h ALA 5082CO -0.02 0.56 0.29 1.96 0.00 0.00 0.00 179.25 182.03 2pga h GLN 5083N 1.21 0.47 -0.00 0.00 4.20 -0.71 -1.85 115.11 118.43 2pga h GLN 5083Ca 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2pga h GLN 5083Cb -0.10 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2pga h GLN 5083CO -0.06 0.31 -0.15 1.28 -0.67 0.00 0.00 178.83 179.54 2pga n LEU 5084N -4.48 0.55 0.00 1.46 4.77 -0.68 -4.91 117.00 113.71 2pga n LEU 5084Ca 0.04 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2pga n LEU 5084Cb 0.14 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2pga n LEU 5084CO 0.35 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2pga n GLY 5085N 1.31 0.95 3.72 -0.72 0.00 -0.69 -4.78 105.19 104.97 2pga n GLY 5085Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2pga n GLY 5085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 5086N -2.00 3.20 -0.01 -0.61 -1.09 -0.22 -4.52 121.20 115.95 2pga s ILE 5086Ca 0.00 0.90 0.01 0.00 -2.23 0.00 0.00 60.65 59.33 2pga s ILE 5086Cb 0.00 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.30 2pga s ILE 5086CO 0.00 0.09 0.02 0.54 -1.23 0.00 0.00 174.94 174.36 2pga n ARG 5087N 3.49 2.80 -4.59 2.79 5.12 0.96 -4.18 116.66 123.05 2pga n ARG 5087Ca 0.10 -0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.77 2pga n ARG 5087Cb 0.42 -0.82 -0.16 0.00 -1.16 0.00 0.00 32.46 30.74 2pga n ARG 5087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2pga s THR 5088N -1.64 1.13 -0.10 0.55 2.01 -0.62 -0.93 115.64 116.04 2pga s THR 5088Ca -0.00 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.53 2pga s THR 5088Cb 0.00 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.51 2pga s THR 5088CO 0.03 0.35 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.79 2pga s PHE 5089N 0.51 1.96 -0.27 4.92 0.40 0.92 -0.89 117.98 125.53 2pga s PHE 5089Ca -0.12 -0.87 -0.00 0.00 -0.60 0.00 0.00 56.93 55.34 2pga s PHE 5089Cb -0.14 -1.40 0.05 0.00 0.51 0.00 0.00 43.02 42.04 2pga s PHE 5089CO 0.03 -0.43 -0.06 -0.51 0.70 0.00 0.00 175.22 174.95 2pga s LEU 5090N 0.84 3.53 0.10 -0.37 1.43 -0.17 -1.14 118.68 122.91 2pga s LEU 5090Ca -0.10 -1.21 -0.26 0.00 -1.03 0.00 0.00 54.13 51.53 2pga s LEU 5090Cb -0.15 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 2pga s LEU 5090CO 0.01 -0.20 0.82 -0.60 0.23 0.00 0.00 176.35 176.61 2pga s ARG 5091N 1.22 4.58 -0.10 1.70 3.52 -0.19 -0.48 118.95 129.20 2pga s ARG 5091Ca -0.05 1.20 0.02 0.00 -0.13 0.00 0.00 55.73 56.77 2pga s ARG 5091Cb -0.19 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 2pga s ARG 5091CO -0.04 0.36 -0.16 -1.50 -0.81 0.00 0.00 175.30 173.15 2pga s ILE 5092N -0.40 1.52 0.27 4.11 -1.16 -1.22 -1.42 121.20 122.90 2pga s ILE 5092Ca 0.40 -0.67 0.03 0.00 -0.51 0.00 0.00 60.65 59.89 2pga s ILE 5092Cb -0.22 -1.38 -0.04 0.00 0.61 0.00 0.00 42.46 41.44 2pga s ILE 5092CO 0.26 0.44 0.18 -0.83 -2.81 0.00 0.00 174.94 172.19 2pga s GLY 5093N 0.83 1.92 0.19 1.50 0.00 -0.59 -4.11 107.32 107.06 2pga s GLY 5093Ca -0.10 -1.83 0.08 0.00 0.00 0.00 0.00 44.72 42.87 2pga s GLY 5093CO 0.01 -1.49 -0.00 -0.51 0.00 0.00 0.00 173.10 171.11 2pga s THR 5094N -3.76 3.65 0.16 0.90 -4.23 -1.26 -1.02 115.64 110.08 2pga s THR 5094Ca 0.38 -1.52 -0.17 0.00 -1.18 0.00 0.00 61.69 59.20 2pga s THR 5094Cb 0.05 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 71.07 2pga s THR 5094CO 0.19 -0.16 0.47 0.28 -0.54 0.00 0.00 174.62 174.86 2pga s THR 5095N -1.83 0.04 -0.20 3.99 -1.32 0.45 -4.82 115.64 111.94 2pga s THR 5095Ca 0.28 -0.58 -0.04 0.00 -1.21 0.00 0.00 61.69 60.13 2pga s THR 5095Cb -0.09 -1.31 -0.02 0.00 -1.51 0.00 0.00 72.50 69.58 2pga s THR 5095CO 0.19 -0.20 -0.02 -0.83 -2.21 0.00 0.00 174.62 171.55 2pga s GLY 5096N -2.83 1.68 0.46 6.08 0.00 -1.26 -2.35 107.32 109.10 2pga s GLY 5096Ca 0.05 -1.03 -0.19 0.00 0.00 0.00 0.00 44.72 43.55 2pga s GLY 5096CO -0.09 0.26 0.96 0.00 0.00 0.00 0.00 173.10 174.24 2pga s ALA 5097N 1.09 3.05 -0.71 3.20 0.00 -0.93 -2.89 121.76 124.58 2pga s ALA 5097Ca 0.02 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.36 2pga s ALA 5097Cb -0.14 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 19.87 2pga s ALA 5097CO 0.01 -0.01 0.62 0.44 0.00 0.00 0.00 175.76 176.82 2pga n ILE 5098N -1.00 0.00 -3.52 0.00 -5.35 0.18 -2.31 119.36 107.37 2pga n ILE 5098Ca 0.07 -0.48 -0.37 0.00 -0.27 0.00 0.00 62.75 61.70 2pga n ILE 5098Cb 0.54 1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 39.48 2pga n ILE 5098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2pga s GLN 5099N -0.71 4.16 0.34 6.28 -1.52 -1.23 -4.79 119.66 122.20 2pga s GLN 5099Ca 0.07 0.18 0.13 0.00 -1.95 0.00 0.00 55.36 53.78 2pga s GLN 5099Cb 0.05 -3.38 0.97 0.00 -0.22 0.00 0.00 33.01 30.43 2pga s GLN 5099CO 0.11 0.33 1.73 -1.00 -0.25 0.00 0.00 175.29 176.20 2pga h PRO 5100N 6.27 0.48 -0.63 2.91 0.13 -1.93 -2.34 132.00 136.89 2pga h PRO 5100Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2pga h PRO 5100Cb 1.18 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2pga h PRO 5100CO 0.72 0.32 0.00 0.72 -0.23 0.00 0.00 178.00 179.53 2pga n HIS 5101N -4.84 1.73 -3.63 1.56 8.25 -1.26 -4.77 115.22 112.26 2pga n HIS 5101Ca 0.27 -0.65 -0.39 0.00 -0.26 0.00 0.00 57.72 56.69 2pga n HIS 5101Cb 0.82 -0.34 -0.11 0.00 1.12 0.00 0.00 29.99 31.47 2pga n HIS 5101CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2pga s ILE 5102N -2.19 4.82 0.24 1.59 1.01 -0.88 -5.09 121.20 120.70 2pga s ILE 5102Ca 0.53 -0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.01 2pga s ILE 5102Cb 0.37 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2pga s ILE 5102CO 0.22 0.12 0.16 0.20 0.00 0.00 0.00 174.94 175.65 2pga s ASN 5103N 1.66 5.42 0.29 3.58 0.01 -1.26 -4.82 114.94 119.82 2pga s ASN 5103Ca 0.06 -0.27 -0.29 0.00 -0.71 0.00 0.00 52.86 51.65 2pga s ASN 5103Cb -0.17 -1.35 -0.13 0.00 0.41 0.00 0.00 41.25 40.01 2pga s ASN 5103CO 0.08 -0.01 1.18 0.52 -1.51 0.00 0.00 177.10 177.36 2pga n VAL 5104N -0.99 1.76 0.00 1.60 0.31 -1.26 -1.36 118.33 118.39 2pga n VAL 5104Ca -0.08 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2pga n VAL 5104Cb 0.57 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 2pga n VAL 5104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pga n GLY 5105N 1.25 1.47 3.83 2.92 0.00 0.44 -4.96 105.19 110.13 2pga n GLY 5105Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2pga n GLY 5105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pga s ASP 5106N -2.34 5.89 -0.09 1.61 1.11 -0.46 -4.72 116.67 117.66 2pga s ASP 5106Ca 0.00 1.63 0.01 0.00 0.18 0.00 0.00 52.55 54.37 2pga s ASP 5106Cb 0.00 -2.50 -0.02 0.00 1.07 0.00 0.00 42.92 41.46 2pga s ASP 5106CO 0.00 -1.09 -0.12 -0.69 1.18 0.00 0.00 175.17 174.45 2pga s VAL 5107N -2.81 3.24 -0.12 -1.27 1.01 -0.24 -0.47 120.40 119.73 2pga s VAL 5107Ca 0.59 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2pga s VAL 5107Cb -0.13 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2pga s VAL 5107CO 0.45 0.56 -0.13 -0.76 0.00 0.00 0.00 175.10 175.22 2pga s LEU 5108N -0.25 2.74 -0.16 3.92 1.43 0.71 -1.16 118.68 125.91 2pga s LEU 5108Ca 0.02 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2pga s LEU 5108Cb -0.13 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 2pga s LEU 5108CO 0.03 0.18 -0.06 -0.69 0.23 0.00 0.00 176.35 176.04 2pga s VAL 5109N 0.26 3.56 -0.25 -1.59 1.01 0.09 -0.80 120.40 122.69 2pga s VAL 5109Ca -0.09 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 2pga s VAL 5109Cb -0.15 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2pga s VAL 5109CO 0.05 0.48 0.34 -0.89 0.00 0.00 0.00 175.10 175.08 2pga s THR 5110N 0.63 5.22 0.04 3.92 2.01 -0.67 -1.64 115.64 125.15 2pga s THR 5110Ca -0.04 0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.52 2pga s THR 5110Cb -0.15 -3.67 -0.25 0.00 0.01 0.00 0.00 72.50 68.45 2pga s THR 5110CO 0.03 0.22 0.99 0.71 -0.69 0.00 0.00 174.62 175.87 2pga h THR 5111N 5.23 1.31 -2.22 -0.82 1.35 -1.21 -3.40 112.91 113.15 2pga h THR 5111Ca -0.34 -3.01 0.13 0.00 -0.55 0.00 0.00 66.41 62.65 2pga h THR 5111Cb 1.16 2.75 -0.14 0.00 -1.73 0.00 0.00 68.15 70.19 2pga h THR 5111CO 0.66 0.82 0.52 0.00 -0.25 0.00 0.00 175.52 177.26 2pga s ALA 5112N -2.65 -1.82 0.05 6.62 0.00 -1.25 -0.63 121.76 122.08 2pga s ALA 5112Ca -0.05 0.93 0.08 0.00 0.00 0.00 0.00 51.96 52.93 2pga s ALA 5112Cb 0.08 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 2pga s ALA 5112CO 0.84 -0.73 -0.22 -1.12 0.00 0.00 0.00 175.76 174.52 2pga s SER 5113N -2.53 2.70 -0.01 0.00 0.01 0.13 -1.91 113.70 112.10 2pga s SER 5113Ca 0.06 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 2pga s SER 5113Cb -0.01 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 2pga s SER 5113CO -0.07 0.18 1.33 -0.69 0.41 0.00 0.00 173.24 174.40 2pga s VAL 5114N -0.84 3.88 -1.18 3.43 1.01 0.82 -4.34 120.40 123.18 2pga s VAL 5114Ca 0.09 1.26 -0.15 0.00 0.00 0.00 0.00 61.98 63.17 2pga s VAL 5114Cb -0.09 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.62 2pga s VAL 5114CO 0.02 0.01 1.45 -0.13 0.00 0.00 0.00 175.10 176.45 2pga s ARG 5115N 2.24 4.00 -0.49 2.72 0.52 -1.26 -1.40 118.95 125.28 2pga s ARG 5115Ca 0.61 -2.33 0.03 0.00 -0.52 0.00 0.00 55.73 53.52 2pga s ARG 5115Cb -0.29 -5.14 0.63 0.00 0.52 0.00 0.00 34.95 30.67 2pga s ARG 5115CO 0.25 -1.87 1.94 1.28 0.02 0.00 0.00 175.30 176.93 2pga n LEU 5116N 6.35 6.93 -4.76 2.53 4.77 -0.33 -4.94 117.00 127.55 2pga n LEU 5116Ca 0.37 -3.74 -0.30 0.00 -0.03 0.00 0.00 56.01 52.31 2pga n LEU 5116Cb 0.44 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 2pga n LEU 5116CO 0.64 1.13 -0.21 1.51 -1.33 0.00 0.00 177.39 179.13 2pga s ASP 5117N -1.40 4.19 -0.17 -1.43 3.84 -1.21 -1.61 116.67 118.89 2pga s ASP 5117Ca 0.58 -1.50 0.09 0.00 -0.00 0.00 0.00 52.55 51.73 2pga s ASP 5117Cb 0.49 0.27 -0.17 0.00 -1.38 0.00 0.00 42.92 42.13 2pga s ASP 5117CO 0.09 -0.80 -0.04 0.61 -0.00 0.00 0.00 175.17 175.03 2pga n GLY 5118N -1.29 -0.57 0.23 2.12 0.00 -1.26 -4.70 105.19 99.72 2pga n GLY 5118Ca -0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 2pga n GLY 5118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga h ALA 5119N 0.46 1.29 -0.69 4.61 0.00 -1.98 -2.30 119.26 120.65 2pga h ALA 5119Ca -0.43 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.26 2pga h ALA 5119Cb 1.85 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 2pga h ALA 5119CO -0.01 0.48 0.45 0.66 0.00 0.00 0.00 179.25 180.83 2pga h SER 5120N 0.29 0.57 0.54 0.00 4.64 -1.84 0.78 113.55 118.52 2pga h SER 5120Ca 0.05 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2pga h SER 5120Cb 0.56 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2pga h SER 5120CO 0.04 0.35 0.00 0.18 -0.87 0.00 0.00 176.83 176.53 2pga n LEU 5121N -4.48 0.57 -0.09 5.97 4.77 -0.87 -1.49 117.00 121.38 2pga n LEU 5121Ca 0.11 0.67 0.15 0.00 -0.03 0.00 0.00 56.01 56.90 2pga n LEU 5121Cb 0.28 -0.62 0.71 0.00 -2.33 0.00 0.00 43.42 41.46 2pga n LEU 5121CO 0.33 -0.61 0.95 1.41 -1.33 0.00 0.00 177.39 178.15 2pga n HIS 5122N -2.16 0.00 -0.01 -1.77 8.25 0.27 -4.00 115.22 115.80 2pga n HIS 5122Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 2pga n HIS 5122Cb 0.18 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 2pga n HIS 5122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2pga n PHE 5123N -0.95 0.00 -3.66 4.41 3.01 -0.55 -5.09 117.46 114.63 2pga n PHE 5123Ca 0.17 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.48 2pga n PHE 5123Cb 0.24 -0.08 -0.08 0.00 -0.01 0.00 0.00 39.48 39.56 2pga n PHE 5123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pga s ALA 5124N -2.04 -1.24 0.92 4.37 0.00 -0.74 -5.00 121.76 118.03 2pga s ALA 5124Ca -0.01 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 2pga s ALA 5124Cb 0.01 -0.06 0.14 0.00 0.00 0.00 0.00 23.12 23.21 2pga s ALA 5124CO 0.06 -0.30 1.10 -1.25 0.00 0.00 0.00 175.76 175.36 2pga s PRO 5125N -1.08 1.06 0.59 0.00 0.04 -1.26 -3.93 135.00 130.42 2pga s PRO 5125Ca -0.11 1.07 0.30 0.00 0.04 0.00 0.00 61.00 62.30 2pga s PRO 5125Cb -0.03 -1.77 1.77 0.00 0.04 0.00 0.00 34.50 34.51 2pga s PRO 5125CO 0.06 -2.45 2.19 1.98 0.04 0.00 0.00 177.00 178.83 2pga h MET 5126N -1.71 0.00 0.00 4.56 4.05 -1.94 -1.55 114.93 118.34 2pga h MET 5126Ca -0.49 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 2pga h MET 5126Cb 1.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 2pga h MET 5126CO 0.50 0.00 -0.07 0.93 0.23 0.00 0.00 176.91 178.50 2pga h GLU 5127N 0.00 0.00 -6.66 0.39 3.07 -2.03 -3.43 114.58 105.92 2pga h GLU 5127Ca 0.03 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.38 2pga h GLU 5127Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2pga h GLU 5127CO -0.00 0.07 0.47 0.12 -1.40 0.00 0.00 179.01 178.27 2pga s PHE 5128N -4.15 3.60 0.15 4.33 2.19 -0.59 -5.00 117.98 118.51 2pga s PHE 5128Ca -0.03 1.60 -0.30 0.00 0.33 0.00 0.00 56.93 58.53 2pga s PHE 5128Cb 0.13 -3.27 -0.07 0.00 -1.31 0.00 0.00 43.02 38.50 2pga s PHE 5128CO 0.54 -0.59 1.02 -1.25 1.83 0.00 0.00 175.22 176.77 2pga s PRO 5129N -0.37 4.67 -1.45 10.12 0.04 -1.26 -4.93 135.00 141.83 2pga s PRO 5129Ca 0.49 1.56 -0.14 0.00 0.04 0.00 0.00 61.00 62.95 2pga s PRO 5129Cb -0.29 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 30.96 2pga s PRO 5129CO 0.35 0.18 2.20 0.00 0.04 0.00 0.00 177.00 179.76 2pga n ALA 5130N 2.53 5.43 -2.80 8.56 0.00 -1.26 -4.74 120.51 128.23 2pga n ALA 5130Ca 0.02 -3.89 -0.35 0.00 0.00 0.00 0.00 53.44 49.23 2pga n ALA 5130Cb 0.48 -3.53 -0.07 0.00 0.00 0.00 0.00 19.45 16.32 2pga n ALA 5130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pga s VAL 5131N 3.21 4.96 0.53 0.00 0.11 -1.26 -0.69 120.40 127.25 2pga s VAL 5131Ca 0.47 -0.16 -0.16 0.00 -2.93 0.00 0.00 61.98 59.20 2pga s VAL 5131Cb 0.13 -3.20 -0.07 0.00 -1.53 0.00 0.00 36.38 31.71 2pga s VAL 5131CO -0.08 0.48 0.99 0.00 -3.33 0.00 0.00 175.10 173.16 2pga s ALA 5132N -1.10 3.06 0.32 1.54 0.00 0.20 -4.65 121.76 121.12 2pga s ALA 5132Ca 0.19 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 2pga s ALA 5132Cb -0.12 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 2pga s ALA 5132CO 0.09 -0.29 1.23 0.34 0.00 0.00 0.00 175.76 177.13 2pga s ASP 5133N -3.16 6.93 0.15 0.00 -1.08 0.66 -4.94 116.67 115.23 2pga s ASP 5133Ca 0.59 2.54 -0.12 0.00 -0.52 0.00 0.00 52.55 55.03 2pga s ASP 5133Cb -0.10 -2.64 0.02 0.00 -1.46 0.00 0.00 42.92 38.74 2pga s ASP 5133CO 0.33 -0.41 1.60 0.15 0.52 0.00 0.00 175.17 177.37 2pga h PHE 5134N 3.50 0.96 -0.74 -5.34 3.57 -1.96 -1.27 116.94 115.67 2pga h PHE 5134Ca -0.48 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 60.81 2pga h PHE 5134Cb 1.22 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 2pga h PHE 5134CO 0.57 0.90 0.29 0.00 -2.23 0.00 0.00 178.31 177.84 2pga h ALA 5135N 0.93 0.96 -0.19 2.41 0.00 -1.96 -0.29 119.26 121.13 2pga h ALA 5135Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2pga h ALA 5135Cb 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2pga h ALA 5135CO 0.03 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.91 2pga h THR 5137N 0.12 1.22 -0.10 0.00 2.02 -1.03 -1.30 112.91 113.83 2pga h THR 5137Ca 0.06 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.67 2pga h THR 5137Cb 0.26 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2pga h THR 5137CO 0.00 0.25 -0.00 0.74 0.37 0.00 0.00 175.52 176.87 2pga h THR 5138N 0.93 0.92 -0.86 3.16 2.02 -0.99 -0.64 112.91 117.45 2pga h THR 5138Ca 0.23 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.44 2pga h THR 5138Cb 0.08 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 2pga h THR 5138CO -0.03 0.01 0.55 0.00 0.37 0.00 0.00 175.52 176.41 2pga h ALA 5139N 1.09 1.14 -0.36 6.16 0.00 -0.89 0.07 119.26 126.46 2pga h ALA 5139Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2pga h ALA 5139Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2pga h ALA 5139CO -0.09 0.38 -0.14 -0.07 0.00 0.00 0.00 179.25 179.34 2pga h LEU 5140N 1.06 0.75 -0.33 0.00 3.38 -0.99 -0.01 115.31 119.17 2pga h LEU 5140Ca 0.35 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2pga h LEU 5140Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2pga h LEU 5140CO -0.12 0.97 0.01 0.58 0.09 0.00 0.00 178.44 179.97 2pga h VAL 5141N 0.53 1.25 -0.18 1.22 2.07 -0.82 -0.24 116.25 120.08 2pga h VAL 5141Ca 0.09 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 2pga h VAL 5141Cb 0.67 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2pga h VAL 5141CO 0.05 0.31 -0.35 -0.33 0.02 0.00 0.00 177.57 177.26 2pga h GLU 5142N 0.39 0.38 -0.50 1.57 5.08 -0.98 -1.00 114.58 119.52 2pga h GLU 5142Ca 0.10 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 2pga h GLU 5142Cb 0.43 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2pga h GLU 5142CO 0.01 0.69 -0.06 0.00 -1.00 0.00 0.00 179.01 178.65 2pga h ALA 5143N 1.31 0.68 -0.81 3.43 0.00 -0.77 -1.56 119.26 121.52 2pga h ALA 5143Ca 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2pga h ALA 5143Cb 0.78 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2pga h ALA 5143CO 0.06 0.54 0.37 0.00 0.00 0.00 0.00 179.25 180.22 2pga h ALA 5144N 0.91 1.12 0.00 0.00 0.00 -0.60 -2.55 119.26 118.14 2pga h ALA 5144Ca 0.13 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2pga h ALA 5144Cb 0.60 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2pga h ALA 5144CO 0.04 0.65 -0.58 0.87 0.00 0.00 0.00 179.25 180.23 2pga h LYS 5145N 1.17 0.00 0.00 0.00 1.57 -1.06 -2.16 116.57 116.08 2pga h LYS 5145Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2pga h LYS 5145Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2pga h LYS 5145CO -0.03 0.58 0.00 0.66 -0.57 0.00 0.00 179.45 180.09 2pga h SER 5146N 0.00 0.00 -0.12 0.86 4.64 -0.86 -2.51 113.55 115.56 2pga h SER 5146Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2pga h SER 5146Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2pga h SER 5146CO 0.08 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.34 2pga n ILE 5147N -2.38 0.72 -1.17 0.95 -5.35 -1.13 -5.02 119.36 105.98 2pga n ILE 5147Ca 0.03 -0.86 -0.06 0.00 -0.27 0.00 0.00 62.75 61.59 2pga n ILE 5147Cb 0.30 0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 38.84 2pga n ILE 5147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pga n GLY 5148N 0.07 0.82 3.75 3.28 0.00 -0.87 -5.01 105.19 107.24 2pga n GLY 5148Ca 0.05 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 2pga n GLY 5148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga s ALA 5149N -2.20 2.58 -0.40 4.61 0.00 -0.88 -4.96 121.76 120.50 2pga s ALA 5149Ca 0.00 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 2pga s ALA 5149Cb 0.00 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.67 2pga s ALA 5149CO 0.00 -1.20 1.14 0.99 0.00 0.00 0.00 175.76 176.69 2pga s THR 5150N -1.53 4.29 -0.04 0.00 2.01 -1.26 -4.76 115.64 114.35 2pga s THR 5150Ca 0.77 1.40 0.06 0.00 0.31 0.00 0.00 61.69 64.23 2pga s THR 5150Cb -0.32 -4.48 -0.02 0.00 0.01 0.00 0.00 72.50 67.68 2pga s THR 5150CO 0.35 -0.77 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.42 2pga s THR 5151N 4.21 2.52 -0.06 -0.82 2.01 -1.26 -1.08 115.64 121.16 2pga s THR 5151Ca 0.48 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.61 2pga s THR 5151Cb -0.10 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 2pga s THR 5151CO 0.25 0.58 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.54 2pga s HIS 5152N -0.64 2.23 -0.12 4.92 3.76 -0.31 -4.97 115.29 120.16 2pga s HIS 5152Ca 0.10 -0.70 0.03 0.00 -0.15 0.00 0.00 55.06 54.34 2pga s HIS 5152Cb -0.10 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.11 2pga s HIS 5152CO -0.00 -0.23 -0.22 0.08 -0.85 0.00 0.00 174.74 173.52 2pga s VAL 5153N -0.03 2.16 -3.34 -0.90 1.01 -1.26 -0.73 120.40 117.32 2pga s VAL 5153Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2pga s VAL 5153Cb -0.14 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2pga s VAL 5153CO 0.04 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2pga n GLY 5154N 3.79 -0.59 3.82 4.51 0.00 -0.65 -4.94 105.19 111.13 2pga n GLY 5154Ca -0.19 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 2pga n GLY 5154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 5155N -3.90 4.82 -0.03 1.61 1.01 -1.26 -0.61 120.40 122.04 2pga s VAL 5155Ca 0.00 1.04 0.07 0.00 0.00 0.00 0.00 61.98 63.09 2pga s VAL 5155Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2pga s VAL 5155CO 0.00 0.46 -0.24 -0.89 0.00 0.00 0.00 175.10 174.43 2pga s THR 5156N -1.22 1.89 -0.18 3.92 2.01 -0.80 -0.50 115.64 120.77 2pga s THR 5156Ca 0.31 -1.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 2pga s THR 5156Cb -0.18 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2pga s THR 5156CO 0.18 0.53 0.56 0.00 -0.69 0.00 0.00 174.62 175.21 2pga s ALA 5157N -0.47 3.52 -0.28 7.40 0.00 0.15 -0.12 121.76 131.95 2pga s ALA 5157Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2pga s ALA 5157Cb -0.10 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.22 2pga s ALA 5157CO -0.00 -0.39 -0.05 0.45 0.00 0.00 0.00 175.76 175.77 2pga s SER 5158N 1.06 4.68 -0.08 0.00 0.15 -0.49 -1.51 113.70 117.52 2pga s SER 5158Ca 0.27 -1.30 0.01 0.00 0.70 0.00 0.00 55.95 55.62 2pga s SER 5158Cb -0.16 -1.64 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 2pga s SER 5158CO 0.11 -0.23 -0.08 -0.55 1.20 0.00 0.00 173.24 173.69 2pga s SER 5159N 1.20 4.50 0.00 5.45 0.15 0.72 -1.18 113.70 124.53 2pga s SER 5159Ca -0.07 -0.08 0.16 0.00 0.70 0.00 0.00 55.95 56.66 2pga s SER 5159Cb -0.20 -1.19 0.71 0.00 -1.71 0.00 0.00 66.02 63.63 2pga s SER 5159CO -0.03 0.33 1.52 0.47 1.20 0.00 0.00 173.24 176.73 2pga n ASP 5160N 2.44 0.00 -4.29 5.45 10.43 -0.63 -4.27 116.55 125.68 2pga n ASP 5160Ca -0.18 0.47 -0.17 0.00 2.57 0.00 0.00 54.79 57.48 2pga n ASP 5160Cb 0.53 -0.48 -0.10 0.00 1.84 0.00 0.00 41.12 42.90 2pga n ASP 5160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pga s THR 5161N -2.97 1.50 -0.07 -3.53 -4.23 -1.26 -4.99 115.64 100.08 2pga s THR 5161Ca 0.08 -2.03 0.14 0.00 -1.18 0.00 0.00 61.69 58.71 2pga s THR 5161Cb 0.11 -1.85 -0.17 0.00 1.34 0.00 0.00 72.50 71.93 2pga s THR 5161CO 0.29 -0.57 0.84 0.15 -0.54 0.00 0.00 174.62 174.79 2pga h PHE 5162N 2.90 0.00 0.00 3.99 3.04 -1.97 -3.39 116.94 121.51 2pga h PHE 5162Ca -0.38 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.57 2pga h PHE 5162Cb 1.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.72 2pga h PHE 5162CO 0.68 0.78 0.00 0.66 -2.02 0.00 0.00 178.31 178.41 2pga n TYR 5163N -3.01 0.00 -0.02 0.41 4.02 -1.26 -4.43 117.16 112.86 2pga n TYR 5163Ca -0.11 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.76 2pga n TYR 5163Cb 0.93 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 40.48 2pga n TYR 5163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pga h PRO 5164N 0.00 0.57 0.00 -0.72 0.13 -1.88 -0.67 132.00 129.44 2pga h PRO 5164Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2pga h PRO 5164Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 2pga h PRO 5164CO 0.00 0.65 0.00 0.78 -0.23 0.00 0.00 178.00 179.20 2pga h GLY 5165N 0.92 0.00 -1.56 1.56 0.00 -1.87 0.11 103.07 102.23 2pga h GLY 5165Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 2pga h GLY 5165CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 2pga n GLN 5166N -2.42 2.87 -4.06 4.80 6.02 -0.61 -4.92 117.38 119.07 2pga n GLN 5166Ca 0.00 -2.84 -0.30 0.00 -0.01 0.00 0.00 57.00 53.84 2pga n GLN 5166Cb 0.15 -1.84 -0.02 0.00 1.02 0.00 0.00 30.24 29.55 2pga n GLN 5166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2pga n GLU 5167N -0.54 -3.53 -3.11 -1.09 2.13 0.39 -4.91 120.64 109.98 2pga n GLU 5167Ca 0.21 0.42 -0.39 0.00 0.66 0.00 0.00 57.16 58.06 2pga n GLU 5167Cb 0.89 -4.88 -0.05 0.00 0.27 0.00 0.00 31.44 27.66 2pga n GLU 5167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2pga s ARG 5168N -6.71 4.41 0.00 5.31 0.52 -0.36 -4.95 118.95 117.17 2pga s ARG 5168Ca 0.38 0.80 0.14 0.00 -0.52 0.00 0.00 55.73 56.54 2pga s ARG 5168Cb -0.21 -3.42 -0.08 0.00 0.52 0.00 0.00 34.95 31.76 2pga s ARG 5168CO 0.90 0.15 0.70 0.66 0.02 0.00 0.00 175.30 177.73 2pga n TYR 5169N 3.50 0.00 -1.47 -0.53 4.02 -1.26 -4.36 117.16 117.06 2pga n TYR 5169Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.46 2pga n TYR 5169Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 2pga n TYR 5169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2pga n ASP 5170N -0.76 6.83 -3.72 7.72 5.75 -1.26 -4.16 116.55 126.95 2pga n ASP 5170Ca 0.04 -2.68 -0.20 0.00 -0.01 0.00 0.00 54.79 51.95 2pga n ASP 5170Cb 0.27 -1.60 -0.08 0.00 -1.03 0.00 0.00 41.12 38.67 2pga n ASP 5170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2pga s THR 5171N 2.58 0.20 0.12 2.12 -4.23 -1.26 -5.01 115.64 110.16 2pga s THR 5171Ca 0.61 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.90 2pga s THR 5171Cb 0.16 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 2pga s THR 5171CO -0.07 0.00 1.69 0.22 -0.54 0.00 0.00 174.62 175.92 2pga h TYR 5172N 2.11 -0.26 0.00 3.99 5.03 -1.99 -2.98 116.97 122.87 2pga h TYR 5172Ca -0.30 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 60.92 2pga h TYR 5172Cb 1.25 0.13 -0.02 0.00 1.55 0.00 0.00 36.73 39.64 2pga h TYR 5172CO 1.43 -0.16 -0.85 0.66 -1.32 0.00 0.00 178.16 177.92 2pga h SER 5173N -0.14 0.00 0.00 -2.11 4.64 -1.97 -3.47 113.55 110.50 2pga h SER 5173Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2pga h SER 5173Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2pga h SER 5173CO -0.18 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 2pga n GLY 5174N 1.28 0.17 3.65 -0.77 0.00 -1.13 -4.98 105.19 103.40 2pga n GLY 5174Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2pga n GLY 5174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pga s ARG 5175N -1.32 2.35 -0.08 1.61 1.70 -1.26 -4.87 118.95 117.08 2pga s ARG 5175Ca 0.00 -1.13 0.02 0.00 -0.47 0.00 0.00 55.73 54.15 2pga s ARG 5175Cb 0.00 -2.33 0.01 0.00 -0.57 0.00 0.00 34.95 32.07 2pga s ARG 5175CO 0.00 0.45 -0.12 0.08 -1.08 0.00 0.00 175.30 174.63 2pga s VAL 5176N -1.72 1.16 0.58 4.99 1.01 -1.26 -4.91 120.40 120.24 2pga s VAL 5176Ca 0.27 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 2pga s VAL 5176Cb -0.09 -1.07 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 2pga s VAL 5176CO 0.18 0.37 0.94 0.55 0.00 0.00 0.00 175.10 177.13 2pga n VAL 5177N 4.02 3.43 -0.29 2.92 3.14 -1.26 -4.50 118.33 125.79 2pga n VAL 5177Ca -0.21 -0.50 0.09 0.00 -2.96 0.00 0.00 64.34 60.76 2pga n VAL 5177Cb 0.51 -1.12 0.21 0.00 -1.06 0.00 0.00 33.84 32.39 2pga n VAL 5177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2pga h ARG 5178N 0.60 0.09 -0.96 1.45 2.43 -2.00 0.93 114.38 116.92 2pga h ARG 5178Ca -0.48 -0.01 0.23 0.00 -0.81 0.00 0.00 59.98 58.91 2pga h ARG 5178Cb 1.36 -0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.77 2pga h ARG 5178CO 0.51 0.06 0.53 -0.09 -1.51 0.00 0.00 179.97 179.47 2pga h ARG 5179N 0.10 0.53 -0.01 0.20 2.43 -2.02 -2.52 114.38 113.08 2pga h ARG 5179Ca 0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2pga h ARG 5179Cb 0.92 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2pga h ARG 5179CO -0.74 0.35 -0.52 1.19 -1.51 0.00 0.00 179.97 178.74 2pga n PHE 5180N -4.92 0.00 -2.07 2.20 3.01 0.25 -4.75 117.46 111.19 2pga n PHE 5180Ca 0.25 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.28 2pga n PHE 5180Cb 0.68 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.12 2pga n PHE 5180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2pga s LYS 5181N -2.47 4.24 0.00 -1.08 2.20 -0.80 -1.81 119.74 120.02 2pga s LYS 5181Ca 0.16 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 2pga s LYS 5181Cb 0.17 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2pga s LYS 5181CO 0.59 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 2pga n GLY 5182N 3.84 0.72 0.17 5.54 0.00 -1.26 -4.93 105.19 109.28 2pga n GLY 5182Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2pga n GLY 5182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pga h SER 5183N 0.00 0.57 -0.75 1.61 4.64 -1.65 -2.96 113.55 115.01 2pga h SER 5183Ca 0.00 -0.42 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2pga h SER 5183Cb 0.00 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 2pga h SER 5183CO 0.00 1.19 0.45 -0.03 -0.87 0.00 0.00 176.83 177.57 2pga h MET 5184N 0.29 1.02 -0.25 4.77 -1.53 -1.91 0.05 114.93 117.36 2pga h MET 5184Ca -0.06 -0.09 -0.09 0.00 -3.44 0.00 0.00 59.70 56.02 2pga h MET 5184Cb 1.46 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 32.28 2pga h MET 5184CO 0.15 0.72 -0.21 1.49 0.14 0.00 0.00 176.91 179.20 2pga h GLU 5185N 1.02 0.46 0.07 0.39 4.22 -1.96 0.48 114.58 119.25 2pga h GLU 5185Ca 0.27 -0.16 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 2pga h GLU 5185Cb -0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2pga h GLU 5185CO -0.05 0.65 -0.03 0.93 -2.18 0.00 0.00 179.01 178.33 2pga h GLU 5186N 0.41 -0.09 -0.90 1.92 5.08 -1.22 -0.84 114.58 118.94 2pga h GLU 5186Ca 0.07 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2pga h GLU 5186Cb 0.60 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 2pga h GLU 5186CO 0.04 0.12 0.60 -1.49 -1.00 0.00 0.00 179.01 177.28 2pga h TRP 5187N -0.29 1.11 -0.23 4.33 -0.00 -0.73 -1.54 115.95 118.61 2pga h TRP 5187Ca -0.01 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.92 2pga h TRP 5187Cb 0.25 -0.37 -0.02 0.00 -0.00 0.00 0.00 29.16 29.02 2pga h TRP 5187CO -0.01 0.67 0.13 1.96 -0.00 0.00 0.00 178.44 181.19 2pga h GLN 5188N 1.17 0.26 0.00 0.49 4.20 -0.69 -1.02 115.11 119.53 2pga h GLN 5188Ca 0.35 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 2pga h GLN 5188Cb -0.05 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 2pga h GLN 5188CO -0.09 0.17 -0.15 0.00 -0.67 0.00 0.00 178.83 178.09 2pga h ALA 5189N 1.10 1.46 -0.03 3.87 0.00 -0.78 -1.57 119.26 123.32 2pga h ALA 5189Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pga h ALA 5189Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2pga h ALA 5189CO -0.05 0.19 0.00 -1.33 0.00 0.00 0.00 179.25 178.07 2pga n MET 5190N -3.94 1.40 -0.64 0.00 2.81 -0.61 -4.93 117.12 111.21 2pga n MET 5190Ca -0.02 -0.59 0.00 0.00 -1.81 0.00 0.00 57.70 55.28 2pga n MET 5190Cb 0.24 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 2pga n MET 5190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pga n GLY 5191N 1.08 0.71 3.74 3.03 0.00 -0.59 -5.02 105.19 108.13 2pga n GLY 5191Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2pga n GLY 5191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 5192N -2.22 2.03 0.04 1.61 1.01 -0.44 -4.62 120.40 117.80 2pga s VAL 5192Ca 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 2pga s VAL 5192Cb 0.00 -3.01 -0.24 0.00 0.00 0.00 0.00 36.38 33.13 2pga s VAL 5192CO 0.00 0.00 1.13 0.24 0.00 0.00 0.00 175.10 176.48 2pga h MET 5193N 5.73 0.56 -2.54 2.72 0.00 -1.12 -3.41 114.93 116.87 2pga h MET 5193Ca -0.45 -0.62 0.14 0.00 0.00 0.00 0.00 59.70 58.77 2pga h MET 5193Cb 1.21 0.18 -0.06 0.00 0.00 0.00 0.00 31.60 32.93 2pga h MET 5193CO 0.87 1.23 0.43 0.54 0.00 0.00 0.00 176.91 179.98 2pga s ASN 5194N -7.05 -0.16 -0.01 1.22 4.22 -1.26 -0.64 114.94 111.26 2pga s ASN 5194Ca -0.11 -0.54 0.06 0.00 -2.14 0.00 0.00 52.86 50.12 2pga s ASN 5194Cb 0.05 0.57 -0.03 0.00 1.28 0.00 0.00 41.25 43.12 2pga s ASN 5194CO 0.88 -1.06 -0.17 -0.31 -2.04 0.00 0.00 177.10 174.39 2pga s TYR 5195N -3.20 2.60 0.00 1.54 2.02 -1.14 -0.67 117.35 118.49 2pga s TYR 5195Ca 0.13 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 2pga s TYR 5195Cb -0.03 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 2pga s TYR 5195CO 0.04 0.18 0.00 -0.85 -1.57 0.00 0.00 175.55 173.35 2pga n GLU 5196N 2.04 0.00 0.00 -0.62 -0.00 -0.57 -4.11 120.64 117.38 2pga n GLU 5196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 2pga n GLU 5196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 2pga n GLU 5196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2pga n MET 5197N 0.00 -0.10 0.00 3.44 2.81 -1.26 -0.20 117.12 121.81 2pga n MET 5197Ca 0.00 -0.42 0.00 0.00 -1.81 0.00 0.00 57.70 55.47 2pga n MET 5197Cb 0.00 -0.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 2pga n MET 5197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2pga n GLU 5198N -0.05 1.07 0.04 0.03 4.71 -1.26 -3.43 120.64 121.74 2pga n GLU 5198Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 2pga n GLU 5198Cb 0.17 -0.91 0.10 0.00 -1.01 0.00 0.00 31.44 29.79 2pga n GLU 5198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2pga h SER 5199N 0.00 0.46 -0.37 1.62 4.64 -1.94 -1.64 113.55 116.32 2pga h SER 5199Ca 0.00 -0.24 0.03 0.00 -0.47 0.00 0.00 61.79 61.11 2pga h SER 5199Cb 0.00 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 2pga h SER 5199CO 0.00 0.91 0.16 0.00 -0.87 0.00 0.00 176.83 177.03 2pga h ALA 5200N 1.10 0.44 0.22 5.18 0.00 -1.86 0.29 119.26 124.63 2pga h ALA 5200Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2pga h ALA 5200Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2pga h ALA 5200CO 0.09 -0.22 -0.11 1.15 0.00 0.00 0.00 179.25 180.17 2pga h THR 5201N 0.33 0.84 -0.07 0.00 2.02 -1.87 -1.91 112.91 112.26 2pga h THR 5201Ca 0.16 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.96 2pga h THR 5201Cb 0.10 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 2pga h THR 5201CO -0.14 0.09 -0.19 0.25 0.37 0.00 0.00 175.52 175.91 2pga h LEU 5202N -0.51 -0.57 -0.35 2.58 5.85 -1.08 -0.56 115.31 120.68 2pga h LEU 5202Ca -0.03 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 2pga h LEU 5202Cb 0.38 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2pga h LEU 5202CO 0.05 -0.24 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.55 2pga h LEU 5203N -0.27 0.85 -0.18 2.25 3.38 -0.48 -1.74 115.31 119.12 2pga h LEU 5203Ca 0.08 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2pga h LEU 5203Cb 0.38 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2pga h LEU 5203CO -0.23 1.13 0.02 0.74 0.09 0.00 0.00 178.44 180.19 2pga h THR 5204N 0.59 1.23 0.00 0.22 2.02 -1.25 0.10 112.91 115.83 2pga h THR 5204Ca 0.06 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.40 2pga h THR 5204Cb 0.86 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 2pga h THR 5204CO 0.07 0.23 -0.32 0.00 0.37 0.00 0.00 175.52 175.88 2pga h MET 5205N 0.09 0.00 0.06 6.66 -0.00 -1.03 -1.96 114.93 118.74 2pga h MET 5205Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.64 2pga h MET 5205Cb 0.34 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.95 2pga h MET 5205CO 0.01 0.32 -0.46 0.00 -0.00 0.00 0.00 176.91 176.77 2pga h ALA 5207N 0.14 1.19 -0.15 0.00 0.00 -0.64 -1.45 119.26 118.35 2pga h ALA 5207Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2pga h ALA 5207Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2pga h ALA 5207CO 0.09 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 2pga n SER 5208N -3.48 2.76 -0.58 0.00 3.41 -0.75 -4.34 113.62 110.64 2pga n SER 5208Ca -0.01 -1.89 0.02 0.00 -0.26 0.00 0.00 58.87 56.73 2pga n SER 5208Cb 0.24 -0.09 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2pga n SER 5208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pga n GLN 5209N 1.10 0.26 -1.97 4.33 6.02 -0.93 -5.01 117.38 121.18 2pga n GLN 5209Ca 0.17 -1.48 -0.08 0.00 -0.01 0.00 0.00 57.00 55.60 2pga n GLN 5209Cb 0.53 -0.62 -0.01 0.00 1.02 0.00 0.00 30.24 31.16 2pga n GLN 5209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pga n GLY 5210N -0.19 0.23 3.67 1.08 0.00 -1.09 -5.03 105.19 103.86 2pga n GLY 5210Ca 0.04 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2pga n GLY 5210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 5211N -2.28 3.41 -0.11 0.99 1.43 -0.59 -5.06 118.68 116.46 2pga s LEU 5211Ca 0.00 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 2pga s LEU 5211Cb 0.00 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 2pga s LEU 5211CO 0.00 0.21 0.37 -0.13 0.23 0.00 0.00 176.35 177.03 2pga s ARG 5212N -2.04 4.19 0.02 1.70 0.52 -0.10 -4.00 118.95 119.24 2pga s ARG 5212Ca 0.23 0.27 0.01 0.00 -0.52 0.00 0.00 55.73 55.72 2pga s ARG 5212Cb -0.12 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 2pga s ARG 5212CO 0.15 0.32 -0.05 0.00 0.02 0.00 0.00 175.30 175.74 2pga s ALA 5213N 0.15 0.37 0.14 2.13 0.00 -1.26 -0.06 121.76 123.23 2pga s ALA 5213Ca 0.21 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2pga s ALA 5213Cb -0.14 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2pga s ALA 5213CO 0.08 -0.03 0.05 0.20 0.00 0.00 0.00 175.76 176.06 2pga s GLY 5214N -1.12 1.05 -0.11 0.00 0.00 -0.29 -0.24 107.32 106.60 2pga s GLY 5214Ca -0.08 -1.50 -0.09 0.00 0.00 0.00 0.00 44.72 43.05 2pga s GLY 5214CO -0.00 -1.39 0.27 -0.29 0.00 0.00 0.00 173.10 171.69 2pga s MET 5215N -4.03 0.30 0.06 2.90 1.75 -1.26 -1.02 119.30 118.00 2pga s MET 5215Ca 0.25 0.42 0.04 0.00 -1.25 0.00 0.00 55.69 55.15 2pga s MET 5215Cb 0.07 0.10 -0.03 0.00 2.84 0.00 0.00 34.83 37.81 2pga s MET 5215CO 0.03 -0.06 -0.12 0.54 -0.65 0.00 0.00 175.02 174.75 2pga s VAL 5216N 0.39 0.93 -0.02 10.11 0.11 -0.51 -1.66 120.40 129.75 2pga s VAL 5216Ca -0.02 -1.26 -0.17 0.00 -2.93 0.00 0.00 61.98 57.61 2pga s VAL 5216Cb -0.04 -0.95 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2pga s VAL 5216CO -0.02 -0.29 0.35 0.00 -3.33 0.00 0.00 175.10 171.81 2pga s ALA 5217N -1.38 -0.90 -0.14 1.54 0.00 0.02 -1.55 121.76 119.36 2pga s ALA 5217Ca -0.04 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 2pga s ALA 5217Cb -0.10 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 2pga s ALA 5217CO 0.02 -0.27 0.24 0.20 0.00 0.00 0.00 175.76 175.95 2pga s GLY 5218N -1.24 2.20 -0.24 0.00 0.00 -0.19 -0.21 107.32 107.65 2pga s GLY 5218Ca -0.13 -0.51 -0.24 0.00 0.00 0.00 0.00 44.72 43.84 2pga s GLY 5218CO 0.05 0.15 0.81 0.14 0.00 0.00 0.00 173.10 174.25 2pga s VAL 5219N -0.10 4.85 -0.18 1.40 1.01 0.38 -0.41 120.40 127.35 2pga s VAL 5219Ca 0.15 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.69 2pga s VAL 5219Cb -0.13 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.18 2pga s VAL 5219CO 0.04 -0.06 0.84 2.30 0.00 0.00 0.00 175.10 178.23 2pga n ILE 5220N 5.20 0.59 -3.61 2.22 -5.35 -0.99 0.17 119.36 117.58 2pga n ILE 5220Ca 0.05 -0.79 -0.05 0.00 -0.27 0.00 0.00 62.75 61.69 2pga n ILE 5220Cb 0.48 0.72 -0.04 0.00 -1.74 0.00 0.00 39.64 39.06 2pga n ILE 5220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2pga s VAL 5221N -0.65 0.00 -0.09 7.28 0.11 -1.26 -4.93 120.40 120.86 2pga s VAL 5221Ca 0.03 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2pga s VAL 5221Cb 0.02 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2pga s VAL 5221CO 0.02 0.00 -0.07 0.21 -3.33 0.00 0.00 175.10 171.94 2pga s ASN 5222N -1.40 1.88 0.13 3.54 3.84 -1.26 -2.18 114.94 119.49 2pga s ASN 5222Ca 0.07 -0.25 -0.28 0.00 0.21 0.00 0.00 52.86 52.61 2pga s ASN 5222Cb -0.01 -0.73 -0.05 0.00 -0.55 0.00 0.00 41.25 39.91 2pga s ASN 5222CO -0.05 -0.10 1.60 0.03 -2.79 0.00 0.00 177.10 175.79 2pga h ARG 5223N 7.89 -0.47 -2.58 0.43 2.47 -1.79 -2.83 114.38 117.50 2pga h ARG 5223Ca -0.29 0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.36 2pga h ARG 5223Cb 1.14 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 29.54 2pga h ARG 5223CO 0.40 -0.31 0.21 0.25 0.56 0.00 0.00 179.97 181.08 2pga n THR 5224N -5.43 1.46 0.00 2.04 -2.24 -1.26 -5.13 114.28 103.72 2pga n THR 5224Ca -0.04 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2pga n THR 5224Cb 0.35 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 2pga n THR 5224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pga n GLN 5225N 2.85 0.00 0.00 -0.78 10.64 -1.07 -4.87 117.38 124.16 2pga n GLN 5225Ca 0.21 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 2pga n GLN 5225Cb 0.42 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.80 2pga n GLN 5225CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2pga n GLN 5236N 0.00 0.00 -0.12 2.61 -0.06 -1.26 -5.01 117.38 113.55 2pga n GLN 5236Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 2pga n GLN 5236Cb 0.00 -2.18 -0.01 0.00 -4.06 0.00 0.00 30.24 23.99 2pga n GLN 5236CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2pga h THR 5237N 0.00 1.16 -0.45 1.69 2.02 -1.96 -2.89 112.91 112.48 2pga h THR 5237Ca 0.00 -0.45 0.09 0.00 0.77 0.00 0.00 66.41 66.82 2pga h THR 5237Cb 0.00 0.81 -0.10 0.00 -1.74 0.00 0.00 68.15 67.12 2pga h THR 5237CO 0.00 0.17 -0.28 -0.08 0.37 0.00 0.00 175.52 175.70 2pga h GLU 5238N 0.44 -0.18 -0.97 6.66 4.81 -1.96 -1.91 114.58 121.47 2pga h GLU 5238Ca 0.12 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.57 2pga h GLU 5238Cb 0.11 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.44 2pga h GLU 5238CO -0.02 -0.12 0.62 0.77 -0.73 0.00 0.00 179.01 179.53 2pga h SER 5239N -0.19 0.57 0.04 1.04 0.02 -1.93 0.32 113.55 113.41 2pga h SER 5239Ca 0.20 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 2pga h SER 5239Cb 0.51 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.02 2pga h SER 5239CO -0.56 0.20 -0.21 0.45 -1.14 0.00 0.00 176.83 175.57 2pga h HIS 5240N 0.55 0.15 -0.71 3.45 3.86 -1.31 -0.04 115.15 121.10 2pga h HIS 5240Ca 0.54 -0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.66 2pga h HIS 5240Cb 1.12 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.55 2pga h HIS 5240CO -0.00 1.07 0.47 0.00 0.86 0.00 0.00 177.93 180.32 2pga h ALA 5241N 0.04 1.54 -0.30 2.45 0.00 -1.04 -0.21 119.26 121.73 2pga h ALA 5241Ca -0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2pga h ALA 5241Cb 1.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2pga h ALA 5241CO 0.04 0.41 -0.26 0.28 0.00 0.00 0.00 179.25 179.72 2pga h VAL 5242N 0.91 1.30 -0.77 0.00 2.07 -0.40 -0.98 116.25 118.38 2pga h VAL 5242Ca 0.27 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 2pga h VAL 5242Cb -0.03 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2pga h VAL 5242CO -0.07 0.45 0.46 0.50 0.02 0.00 0.00 177.57 178.94 2pga h LYS 5243N 0.46 1.04 -0.32 1.57 3.64 -0.62 -2.12 116.57 120.23 2pga h LYS 5243Ca 0.05 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2pga h LYS 5243Cb 0.82 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2pga h LYS 5243CO 0.07 0.73 -0.02 0.82 -2.27 0.00 0.00 179.45 178.78 2pga h ILE 5244N 1.06 1.27 -0.24 2.00 2.04 -0.75 -1.68 117.51 121.20 2pga h ILE 5244Ca 0.28 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.04 2pga h ILE 5244Cb -0.04 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2pga h ILE 5244CO -0.05 0.33 -0.22 1.62 0.00 0.00 0.00 178.15 179.82 2pga h VAL 5245N 0.37 1.25 -0.15 1.67 3.04 -0.90 0.17 116.25 121.70 2pga h VAL 5245Ca 0.09 -1.18 -0.12 0.00 -1.01 0.00 0.00 66.70 64.48 2pga h VAL 5245Cb 0.48 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2pga h VAL 5245CO 0.02 0.37 -0.36 0.58 -1.01 0.00 0.00 177.57 177.18 2pga h VAL 5246N 0.40 1.35 -0.48 1.51 2.07 -1.33 -0.89 116.25 118.88 2pga h VAL 5246Ca 0.06 -1.62 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 2pga h VAL 5246Cb 0.61 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2pga h VAL 5246CO 0.04 0.49 0.10 -0.08 0.02 0.00 0.00 177.57 178.14 2pga h GLU 5247N 0.14 0.72 -0.44 1.57 4.57 -1.16 -1.60 114.58 118.38 2pga h GLU 5247Ca -0.00 -0.14 -0.07 0.00 -1.18 0.00 0.00 59.36 57.96 2pga h GLU 5247Cb 0.96 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 2pga h GLU 5247CO 0.08 0.67 -0.00 0.00 -1.18 0.00 0.00 179.01 178.57 2pga h ALA 5248N 1.41 0.59 -0.95 2.92 0.00 -0.91 -2.67 119.26 119.65 2pga h ALA 5248Ca 0.16 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2pga h ALA 5248Cb 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2pga h ALA 5248CO 0.00 0.39 0.59 0.00 0.00 0.00 0.00 179.25 180.23 2pga h ALA 5249N 0.90 1.37 -0.76 0.00 0.00 -0.77 -0.80 119.26 119.20 2pga h ALA 5249Ca 0.12 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.16 2pga h ALA 5249Cb 0.50 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2pga h ALA 5249CO 0.02 0.27 0.50 -0.09 0.00 0.00 0.00 179.25 179.95 2pga h ARG 5250N 1.00 0.57 -0.00 0.00 2.43 -0.95 -0.18 114.38 117.25 2pga h ARG 5250Ca 0.45 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2pga h ARG 5250Cb 0.34 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2pga h ARG 5250CO -0.23 0.38 -0.11 0.54 -1.51 0.00 0.00 179.97 179.04 2pga n ARG 5251N -4.50 0.01 -0.03 0.20 1.74 -0.33 -3.70 116.66 110.05 2pga n ARG 5251Ca 0.13 -0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.28 2pga n ARG 5251Cb 0.40 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.42 2pga n ARG 5251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pga n LEU 5252N -1.49 2.23 0.00 0.55 4.77 -0.10 -5.06 117.00 117.90 2pga n LEU 5252Ca 0.07 -1.16 0.14 0.00 -0.03 0.00 0.00 56.01 55.03 2pga n LEU 5252Cb 0.34 -0.04 0.85 0.00 -2.33 0.00 0.00 43.42 42.24 2pga n LEU 5252CO 0.29 0.45 1.02 0.18 -1.33 0.00 0.00 177.39 177.99