#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddo n ASP 5005N 0.00 0.52 -4.34 -3.46 8.00 -0.13 -4.93 116.55 112.21 3ddo n ASP 5005Ca 0.00 0.23 -0.18 0.00 0.71 0.00 0.00 54.79 55.55 3ddo n ASP 5005Cb 0.00 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 40.80 3ddo n ASP 5005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3ddo s VAL 5006N -3.07 1.12 0.10 2.53 -7.23 -1.24 -5.06 120.40 107.54 3ddo s VAL 5006Ca 0.10 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3ddo s VAL 5006Cb 0.15 -2.35 -0.25 0.00 0.56 0.00 0.00 36.38 34.50 3ddo s VAL 5006CO 0.64 -0.33 1.21 0.15 -0.31 0.00 0.00 175.10 176.46 3ddo h PHE 5007N 2.45 0.30 0.00 2.82 3.57 -1.95 -3.40 116.94 120.73 3ddo h PHE 5007Ca -0.38 -0.22 -0.12 0.00 3.53 0.00 0.00 57.97 60.77 3ddo h PHE 5007Cb 1.22 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 3ddo h PHE 5007CO 0.59 1.16 -1.47 0.72 -2.23 0.00 0.00 178.31 177.08 3ddo n HIS 5008N -3.47 0.00 0.18 0.41 8.25 -1.26 -4.79 115.22 114.54 3ddo n HIS 5008Ca -0.05 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.49 3ddo n HIS 5008Cb 0.98 -0.33 0.11 0.00 1.12 0.00 0.00 29.99 31.87 3ddo n HIS 5008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ddo h LEU 5009N 0.00 0.00 0.73 2.41 3.38 -1.93 -3.44 115.31 116.45 3ddo h LEU 5009Ca -0.19 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.59 3ddo h LEU 5009Cb 1.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.12 3ddo h LEU 5009CO -0.01 0.20 -0.28 0.61 0.09 0.00 0.00 178.44 179.05 3ddo n GLY 5010N 1.15 0.04 3.38 0.83 0.00 -1.26 -4.74 105.19 104.59 3ddo n GLY 5010Ca 0.03 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 3ddo n GLY 5010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddo s LEU 5011N -3.23 2.39 0.32 0.99 1.43 -1.26 -4.86 118.68 114.45 3ddo s LEU 5011Ca 0.08 -0.81 0.09 0.00 -1.03 0.00 0.00 54.13 52.46 3ddo s LEU 5011Cb -0.04 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 3ddo s LEU 5011CO 0.10 0.10 0.05 0.42 0.23 0.00 0.00 176.35 177.25 3ddo s THR 5012N -1.51 3.01 0.24 5.49 -4.23 -1.26 -0.96 115.64 116.42 3ddo s THR 5012Ca 0.16 -1.87 -0.06 0.00 -1.18 0.00 0.00 61.69 58.74 3ddo s THR 5012Cb -0.08 -2.86 0.23 0.00 1.34 0.00 0.00 72.50 71.13 3ddo s THR 5012CO 0.07 -0.25 1.89 0.50 -0.54 0.00 0.00 174.62 176.29 3ddo h LYS 5013N 1.75 1.13 -0.37 3.99 3.64 -1.96 -1.74 116.57 123.01 3ddo h LYS 5013Ca -0.43 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 3ddo h LYS 5013Cb 1.25 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 3ddo h LYS 5013CO 0.63 0.75 0.25 -0.97 -2.27 0.00 0.00 179.45 177.84 3ddo h ASN 5014N 1.16 0.27 -0.30 4.20 -0.00 -1.95 -1.64 115.58 117.31 3ddo h ASN 5014Ca 0.37 -0.00 0.01 0.00 -0.00 0.00 0.00 56.30 56.68 3ddo h ASN 5014Cb -0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.24 3ddo h ASN 5014CO -0.12 0.18 0.20 0.44 -0.00 0.00 0.00 177.43 178.13 3ddo h ASP 5015N 0.31 0.32 1.38 1.15 3.32 -1.71 -2.16 116.42 119.02 3ddo h ASP 5015Ca 0.16 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ddo h ASP 5015Cb 0.25 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3ddo h ASP 5015CO -0.03 0.23 0.00 -0.07 -1.72 0.00 0.00 179.24 177.64 3ddo h LEU 5016N 0.37 0.00 -1.29 1.55 4.07 -1.35 -3.48 115.31 115.19 3ddo h LEU 5016Ca 0.12 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.58 3ddo h LEU 5016Cb 0.01 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.68 3ddo h LEU 5016CO -0.03 0.00 -0.81 0.00 -1.08 0.00 0.00 178.44 176.52 3ddo n GLN 5017N -2.95 -4.38 -0.69 1.13 1.13 -0.82 -1.29 117.38 109.52 3ddo n GLN 5017Ca 0.02 0.50 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 3ddo n GLN 5017Cb 0.39 -5.16 0.00 0.00 0.11 0.00 0.00 30.24 25.57 3ddo n GLN 5017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ddo n GLY 5018N -1.65 0.81 3.70 1.08 0.00 -1.26 -4.62 105.19 103.25 3ddo n GLY 5018Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 3ddo n GLY 5018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddo n ALA 5019N 0.06 1.67 -0.15 4.61 0.00 -0.41 -4.86 120.51 121.42 3ddo n ALA 5019Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3ddo n ALA 5019Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.11 3ddo n ALA 5019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ddo n GLN 5020N 1.73 -0.30 -4.64 0.00 6.02 -1.26 -4.31 117.38 114.62 3ddo n GLN 5020Ca 0.09 -0.38 -0.23 0.00 -0.01 0.00 0.00 57.00 56.47 3ddo n GLN 5020Cb 0.34 -0.88 -0.15 0.00 1.02 0.00 0.00 30.24 30.57 3ddo n GLN 5020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3ddo s LEU 5021N -0.13 1.96 -0.04 1.08 0.20 -1.26 -0.46 118.68 120.03 3ddo s LEU 5021Ca 0.00 -0.26 0.03 0.00 0.69 0.00 0.00 54.13 54.59 3ddo s LEU 5021Cb 0.00 -0.74 0.00 0.00 -0.43 0.00 0.00 46.19 45.02 3ddo s LEU 5021CO 0.00 0.15 -0.13 0.00 -0.29 0.00 0.00 176.35 176.08 3ddo s ALA 5022N -0.17 1.18 -0.13 5.97 0.00 -0.08 -1.51 121.76 127.02 3ddo s ALA 5022Ca 0.02 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 3ddo s ALA 5022Cb -0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3ddo s ALA 5022CO 0.00 0.19 0.43 0.42 0.00 0.00 0.00 175.76 176.80 3ddo s ILE 5023N 0.20 5.22 -0.56 0.00 1.01 0.20 -1.25 121.20 126.02 3ddo s ILE 5023Ca -0.05 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.49 3ddo s ILE 5023Cb -0.11 -3.77 0.15 0.00 0.01 0.00 0.00 42.46 38.75 3ddo s ILE 5023CO 0.02 0.34 0.36 0.68 0.00 0.00 0.00 174.94 176.34 3ddo s VAL 5024N 0.58 2.05 0.86 2.92 -7.23 0.42 -1.32 120.40 118.68 3ddo s VAL 5024Ca 0.23 -3.41 -0.12 0.00 -1.81 0.00 0.00 61.98 56.88 3ddo s VAL 5024Cb -0.15 -2.39 0.11 0.00 0.56 0.00 0.00 36.38 34.51 3ddo s VAL 5024CO 0.09 -0.98 1.11 -2.16 -0.31 0.00 0.00 175.10 172.84 3ddo s PRO 5025N -0.54 1.58 -0.01 4.82 0.04 -1.24 -3.78 135.00 135.87 3ddo s PRO 5025Ca 0.23 0.58 -0.20 0.00 0.04 0.00 0.00 61.00 61.65 3ddo s PRO 5025Cb -0.12 -1.87 -0.27 0.00 0.04 0.00 0.00 34.50 32.28 3ddo s PRO 5025CO -0.10 -1.96 1.03 0.78 0.04 0.00 0.00 177.00 176.79 3ddo h GLY 5026N -1.33 0.46 -6.68 0.56 0.00 -1.86 -1.68 103.07 92.54 3ddo h GLY 5026Ca -0.49 -0.96 -0.61 0.00 0.00 0.00 0.00 47.33 45.27 3ddo h GLY 5026CO 0.59 0.84 -0.24 -0.35 0.00 0.00 0.00 176.54 177.38 3ddo s ASP 5027N -6.96 6.36 0.46 0.19 -1.08 -1.26 -1.10 116.67 113.28 3ddo s ASP 5027Ca -0.13 0.42 0.25 0.00 -0.52 0.00 0.00 52.55 52.57 3ddo s ASP 5027Cb 0.03 -2.21 1.28 0.00 -1.46 0.00 0.00 42.92 40.56 3ddo s ASP 5027CO 0.85 -0.09 1.82 -0.65 0.52 0.00 0.00 175.17 177.61 3ddo h PRO 5028N 7.59 0.22 0.00 4.34 0.11 -1.89 -0.73 132.00 141.64 3ddo h PRO 5028Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3ddo h PRO 5028Cb 1.16 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ddo h PRO 5028CO 0.69 0.14 0.00 0.39 -0.21 0.00 0.00 178.00 179.02 3ddo n GLU 5029N -4.43 0.30 0.00 1.05 1.02 -1.26 -2.09 120.64 115.23 3ddo n GLU 5029Ca 0.23 0.09 0.09 0.00 -0.02 0.00 0.00 57.16 57.55 3ddo n GLU 5029Cb 0.95 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.78 3ddo n GLU 5029CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ddo n ARG 5030N -1.27 0.94 0.22 3.49 5.12 -0.28 -4.66 116.66 120.22 3ddo n ARG 5030Ca 0.10 -0.10 -0.15 0.00 -1.93 0.00 0.00 57.85 55.77 3ddo n ARG 5030Cb 0.15 -1.38 -0.08 0.00 -1.16 0.00 0.00 32.46 29.99 3ddo n ARG 5030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3ddo h VAL 5031N 0.24 0.60 -1.00 1.55 2.07 -1.49 -2.37 116.25 115.84 3ddo h VAL 5031Ca 0.00 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3ddo h VAL 5031Cb 0.46 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3ddo h VAL 5031CO 0.00 0.05 0.66 -0.08 0.02 0.00 0.00 177.57 178.22 3ddo h GLU 5032N -0.71 1.25 -0.77 1.57 4.81 -1.83 -0.94 114.58 117.97 3ddo h GLU 5032Ca -0.06 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3ddo h GLU 5032Cb 0.50 -0.28 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 3ddo h GLU 5032CO 0.09 0.83 0.43 0.87 -0.73 0.00 0.00 179.01 180.50 3ddo h LYS 5033N 1.29 0.74 -0.13 1.92 6.56 -1.80 0.12 116.57 125.27 3ddo h LYS 5033Ca 0.39 -0.04 -0.07 0.00 -1.06 0.00 0.00 60.65 59.87 3ddo h LYS 5033Cb -0.03 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 31.47 3ddo h LYS 5033CO -0.12 0.49 -0.21 0.82 -2.06 0.00 0.00 179.45 178.37 3ddo h ILE 5034N 0.76 1.37 -0.59 1.86 2.04 -0.86 -3.13 117.51 118.96 3ddo h ILE 5034Ca 0.36 -1.45 0.06 0.00 1.00 0.00 0.00 64.86 64.82 3ddo h ILE 5034Cb 0.27 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3ddo h ILE 5034CO -0.22 0.42 0.39 0.00 0.00 0.00 0.00 178.15 178.75 3ddo h ALA 5035N 0.56 1.80 0.00 1.87 0.00 -0.79 -2.13 119.26 120.56 3ddo h ALA 5035Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ddo h ALA 5035Cb 0.78 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3ddo h ALA 5035CO 0.05 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3ddo h ALA 5036N 1.67 1.00 0.00 0.00 0.00 -0.70 -0.38 119.26 120.86 3ddo h ALA 5036Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ddo h ALA 5036Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ddo h ALA 5036CO -0.07 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.46 3ddo n LEU 5037N -2.57 0.00 -4.83 0.00 4.77 -0.80 -4.86 117.00 108.71 3ddo n LEU 5037Ca 0.00 0.36 -0.31 0.00 -0.03 0.00 0.00 56.01 56.03 3ddo n LEU 5037Cb 0.17 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3ddo n LEU 5037CO 0.19 -0.01 -0.13 -0.04 -1.33 0.00 0.00 177.39 176.07 3ddo s MET 5038N -2.73 2.23 0.29 3.23 -1.94 -0.15 -5.13 119.30 115.11 3ddo s MET 5038Ca 0.23 -2.30 -0.16 0.00 -1.71 0.00 0.00 55.69 51.75 3ddo s MET 5038Cb 0.19 -1.74 -0.09 0.00 2.01 0.00 0.00 34.83 35.21 3ddo s MET 5038CO 0.48 -0.51 0.73 -0.51 -0.01 0.00 0.00 175.02 175.20 3ddo s ASP 5039N -4.06 6.85 -1.34 3.03 1.01 -0.26 -4.42 116.67 117.47 3ddo s ASP 5039Ca 0.13 1.32 -0.09 0.00 0.71 0.00 0.00 52.55 54.62 3ddo s ASP 5039Cb -0.01 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.54 3ddo s ASP 5039CO 0.08 -0.13 0.47 0.29 0.21 0.00 0.00 175.17 176.09 3ddo n LYS 5040N -0.04 -2.11 -2.35 8.23 5.02 -1.26 -0.17 118.16 125.47 3ddo n LYS 5040Ca 0.02 0.33 -0.41 0.00 -2.02 0.00 0.00 58.31 56.22 3ddo n LYS 5040Cb 0.53 -4.05 -0.03 0.00 -0.02 0.00 0.00 35.03 31.46 3ddo n LYS 5040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ddo s PRO 5041N -6.66 4.45 -0.03 1.97 0.04 -1.26 -4.46 135.00 129.05 3ddo s PRO 5041Ca 0.17 1.89 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 3ddo s PRO 5041Cb -0.07 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.22 3ddo s PRO 5041CO 0.91 -0.17 0.09 0.54 0.04 0.00 0.00 177.00 178.41 3ddo s VAL 5042N 0.31 0.00 0.24 -0.36 0.11 0.16 -4.99 120.40 115.87 3ddo s VAL 5042Ca 0.56 -0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.29 3ddo s VAL 5042Cb -0.33 -0.14 -0.09 0.00 -1.53 0.00 0.00 36.38 34.29 3ddo s VAL 5042CO 0.35 -0.01 1.22 -0.75 -3.33 0.00 0.00 175.10 172.57 3ddo s LYS 5043N 0.01 4.48 -0.19 1.54 2.20 -1.26 -0.81 119.74 125.70 3ddo s LYS 5043Ca -0.00 1.97 -0.17 0.00 -0.36 0.00 0.00 55.97 57.41 3ddo s LYS 5043Cb -0.01 -3.18 -0.07 0.00 -1.51 0.00 0.00 37.83 33.06 3ddo s LYS 5043CO 0.00 -0.07 -0.32 1.28 -0.36 0.00 0.00 175.35 175.88 3ddo n LEU 5044N 1.88 1.93 -3.64 5.43 4.77 0.32 -4.87 117.00 122.82 3ddo n LEU 5044Ca 0.03 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.28 3ddo n LEU 5044Cb 0.44 -0.77 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 3ddo n LEU 5044CO 0.56 -0.14 0.50 0.00 -1.33 0.00 0.00 177.39 176.99 3ddo s ALA 5045N -2.82 -1.49 -0.12 -1.18 0.00 -1.07 -5.00 121.76 110.09 3ddo s ALA 5045Ca -0.29 0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 3ddo s ALA 5045Cb 0.06 0.79 0.06 0.00 0.00 0.00 0.00 23.12 24.03 3ddo s ALA 5045CO 0.42 -0.90 0.22 0.45 0.00 0.00 0.00 175.76 175.96 3ddo s SER 5046N -2.81 0.56 -0.06 0.00 0.15 -1.26 -1.06 113.70 109.23 3ddo s SER 5046Ca 0.07 0.44 -0.04 0.00 0.70 0.00 0.00 55.95 57.13 3ddo s SER 5046Cb -0.03 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 3ddo s SER 5046CO -0.03 -0.25 0.15 -1.00 1.20 0.00 0.00 173.24 173.31 3ddo s HIS 5047N 2.37 -0.17 0.00 3.44 3.76 -0.82 -5.00 115.29 118.87 3ddo s HIS 5047Ca 0.02 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 3ddo s HIS 5047Cb -0.12 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.53 3ddo s HIS 5047CO -0.08 -0.14 0.00 0.54 -0.85 0.00 0.00 174.74 174.21 3ddo n ARG 5048N 3.84 0.00 -0.19 1.40 5.12 -1.26 -0.71 116.66 124.85 3ddo n ARG 5048Ca -0.22 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.75 3ddo n ARG 5048Cb 0.54 0.00 0.14 0.00 -1.16 0.00 0.00 32.46 31.98 3ddo n ARG 5048CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 3ddo n GLU 5049N 14.00 1.86 -3.57 5.56 0.00 -1.26 -4.73 120.64 132.50 3ddo n GLU 5049Ca 0.00 -1.16 -0.41 0.00 0.00 0.00 0.00 57.16 55.59 3ddo n GLU 5049Cb 0.00 -1.33 -0.07 0.00 0.00 0.00 0.00 31.44 30.04 3ddo n GLU 5049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3ddo s PHE 5050N -1.60 3.51 -0.19 -1.84 0.08 0.11 -3.78 117.98 114.27 3ddo s PHE 5050Ca 0.21 -2.25 -0.08 0.00 0.12 0.00 0.00 56.93 54.93 3ddo s PHE 5050Cb 0.12 -3.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.07 3ddo s PHE 5050CO 0.13 -0.93 0.09 0.99 -0.10 0.00 0.00 175.22 175.40 3ddo s THR 5051N 0.49 5.06 -0.02 0.64 2.01 -1.26 -1.95 115.64 120.61 3ddo s THR 5051Ca 0.13 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.25 3ddo s THR 5051Cb -0.20 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 3ddo s THR 5051CO -0.04 0.46 -0.20 -0.94 -0.69 0.00 0.00 174.62 173.21 3ddo s SER 5052N 0.34 2.33 0.15 3.53 1.04 -0.22 -1.53 113.70 119.33 3ddo s SER 5052Ca 0.05 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.18 3ddo s SER 5052Cb -0.12 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 3ddo s SER 5052CO -0.01 0.23 -0.14 0.26 0.98 0.00 0.00 173.24 174.56 3ddo s TRP 5053N -0.38 1.49 0.02 5.02 0.52 0.19 -0.52 118.94 125.28 3ddo s TRP 5053Ca 0.06 -0.59 0.08 0.00 0.02 0.00 0.00 56.10 55.67 3ddo s TRP 5053Cb -0.08 -0.75 -0.03 0.00 -1.15 0.00 0.00 33.47 31.46 3ddo s TRP 5053CO -0.00 0.20 -0.23 0.50 0.02 0.00 0.00 176.95 177.44 3ddo s ARG 5054N -3.08 2.01 0.09 4.98 3.52 0.01 -1.03 118.95 125.45 3ddo s ARG 5054Ca 0.14 -1.00 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 3ddo s ARG 5054Cb -0.03 -2.09 -0.00 0.00 -1.56 0.00 0.00 34.95 31.27 3ddo s ARG 5054CO 0.04 0.54 0.11 0.00 -0.81 0.00 0.00 175.30 175.17 3ddo n ALA 5055N 1.90 0.06 -3.36 6.12 0.00 -0.23 -0.67 120.51 124.34 3ddo n ALA 5055Ca -0.17 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 3ddo n ALA 5055Cb 0.52 0.40 -0.16 0.00 0.00 0.00 0.00 19.45 20.21 3ddo n ALA 5055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3ddo s GLU 5056N -2.30 1.08 -0.16 0.00 2.12 0.76 -0.44 118.70 119.75 3ddo s GLU 5056Ca 0.10 -0.25 -0.00 0.00 0.36 0.00 0.00 54.97 55.17 3ddo s GLU 5056Cb 0.00 -0.98 0.04 0.00 0.26 0.00 0.00 34.13 33.44 3ddo s GLU 5056CO 0.07 0.02 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.57 3ddo s LEU 5057N 0.57 1.58 -1.54 2.70 2.96 0.75 -1.11 118.68 124.60 3ddo s LEU 5057Ca -0.09 -0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 53.09 3ddo s LEU 5057Cb -0.12 -0.95 0.09 0.00 0.50 0.00 0.00 46.19 45.71 3ddo s LEU 5057CO 0.01 -0.16 0.93 0.47 -1.32 0.00 0.00 176.35 176.29 3ddo n ASP 5058N 4.87 -4.69 0.00 3.68 8.00 -1.26 -1.30 116.55 125.84 3ddo n ASP 5058Ca -0.13 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3ddo n ASP 5058Cb 0.48 -3.76 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 3ddo n ASP 5058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddo n GLY 5059N -1.63 1.31 3.54 0.44 0.00 -1.26 -5.01 105.19 102.57 3ddo n GLY 5059Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3ddo n GLY 5059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddo s LYS 5060N -0.13 3.03 0.36 1.61 1.02 -0.42 -5.08 119.74 120.14 3ddo s LYS 5060Ca 0.00 -0.56 -0.28 0.00 0.02 0.00 0.00 55.97 55.16 3ddo s LYS 5060Cb 0.00 -2.67 -0.10 0.00 -0.52 0.00 0.00 37.83 34.54 3ddo s LYS 5060CO 0.00 0.52 1.33 0.00 -0.92 0.00 0.00 175.35 176.28 3ddo s ALA 5061N -0.41 3.43 0.02 5.17 0.00 -1.26 -0.18 121.76 128.54 3ddo s ALA 5061Ca 0.06 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.34 3ddo s ALA 5061Cb -0.12 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 3ddo s ALA 5061CO 0.02 -0.76 -0.08 0.08 0.00 0.00 0.00 175.76 175.02 3ddo s VAL 5062N -1.18 0.62 -0.06 0.00 1.01 0.41 -4.25 120.40 116.95 3ddo s VAL 5062Ca 0.52 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3ddo s VAL 5062Cb -0.40 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3ddo s VAL 5062CO 0.53 -0.11 0.06 -0.63 0.00 0.00 0.00 175.10 174.94 3ddo s ILE 5063N -0.80 4.69 -0.14 2.22 -1.09 -0.57 -1.06 121.20 124.44 3ddo s ILE 5063Ca -0.03 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 3ddo s ILE 5063Cb -0.07 -3.05 0.01 0.00 -1.58 0.00 0.00 42.46 37.78 3ddo s ILE 5063CO 0.00 0.52 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.33 3ddo s VAL 5064N -1.02 2.01 -0.11 2.92 1.01 -0.19 -0.63 120.40 124.38 3ddo s VAL 5064Ca 0.17 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3ddo s VAL 5064Cb -0.12 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.53 3ddo s VAL 5064CO 0.07 0.54 0.25 0.00 0.00 0.00 0.00 175.10 175.95 3ddo s SER 5066N 1.40 6.24 -0.01 0.00 1.04 -0.59 -3.70 113.70 118.08 3ddo s SER 5066Ca -0.08 1.56 0.08 0.00 0.48 0.00 0.00 55.95 58.00 3ddo s SER 5066Cb -0.11 -2.50 -0.13 0.00 0.10 0.00 0.00 66.02 63.39 3ddo s SER 5066CO -0.09 -0.86 0.18 0.35 0.98 0.00 0.00 173.24 173.80 3ddo n THR 5067N -2.19 0.02 -1.17 2.02 -2.24 -0.63 -4.42 114.28 105.67 3ddo n THR 5067Ca 0.07 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3ddo n THR 5067Cb 0.54 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3ddo n THR 5067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddo n GLY 5068N 2.05 -2.24 3.69 3.38 0.00 -0.26 -3.52 105.19 108.29 3ddo n GLY 5068Ca -0.02 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 3ddo n GLY 5068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddo s ILE 5069N -0.70 5.02 0.00 -0.61 1.01 -1.26 -4.75 121.20 119.90 3ddo s ILE 5069Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.03 3ddo s ILE 5069Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3ddo s ILE 5069CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3ddo n GLY 5070N 3.38 2.24 0.35 6.18 0.00 -1.26 -4.53 105.19 111.55 3ddo n GLY 5070Ca -0.01 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.16 3ddo n GLY 5070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ddo h GLY 5071N 0.00 1.43 0.98 -0.02 0.00 -1.85 -2.14 103.07 101.47 3ddo h GLY 5071Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3ddo h GLY 5071CO 0.00 0.29 0.02 -2.55 0.00 0.00 0.00 176.54 174.30 3ddo h PRO 5072N 1.07 0.05 -0.46 4.80 0.11 -1.94 0.23 132.00 135.86 3ddo h PRO 5072Ca 0.41 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.41 3ddo h PRO 5072Cb 0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 3ddo h PRO 5072CO -0.18 0.03 -0.13 0.66 -0.21 0.00 0.00 178.00 178.17 3ddo h SER 5073N 0.05 0.85 -0.85 -2.05 4.64 -1.78 -2.64 113.55 111.77 3ddo h SER 5073Ca 0.02 -0.27 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3ddo h SER 5073Cb 0.00 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 61.82 3ddo h SER 5073CO -0.02 0.99 0.56 0.74 -0.87 0.00 0.00 176.83 178.23 3ddo h THR 5074N 0.76 1.18 -0.08 2.95 2.02 -1.09 -2.50 112.91 116.15 3ddo h THR 5074Ca 0.12 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 3ddo h THR 5074Cb 0.64 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3ddo h THR 5074CO 0.04 0.20 -0.21 0.77 0.37 0.00 0.00 175.52 176.70 3ddo h SER 5075N 1.11 0.13 -0.13 4.18 4.64 -0.18 -0.73 113.55 122.58 3ddo h SER 5075Ca 0.33 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.57 3ddo h SER 5075Cb -0.07 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3ddo h SER 5075CO -0.09 0.35 -0.10 0.40 -0.87 0.00 0.00 176.83 176.52 3ddo h ILE 5076N 0.13 1.34 -0.42 0.95 2.04 -1.25 -2.08 117.51 118.22 3ddo h ILE 5076Ca 0.02 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 3ddo h ILE 5076Cb 0.45 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3ddo h ILE 5076CO 0.03 0.35 0.24 0.00 0.00 0.00 0.00 178.15 178.78 3ddo h ALA 5077N 0.62 0.53 -0.24 1.87 0.00 -1.08 -1.77 119.26 119.18 3ddo h ALA 5077Ca 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3ddo h ALA 5077Cb 0.60 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ddo h ALA 5077CO 0.03 0.04 -0.04 0.28 0.00 0.00 0.00 179.25 179.55 3ddo h VAL 5078N 0.55 1.28 -0.26 0.00 2.07 -1.18 -0.17 116.25 118.54 3ddo h VAL 5078Ca 0.15 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.71 3ddo h VAL 5078Cb 0.02 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 3ddo h VAL 5078CO -0.03 0.32 -0.08 -0.08 0.02 0.00 0.00 177.57 177.72 3ddo h GLU 5079N 0.20 -0.03 -0.17 1.57 4.57 -1.29 0.72 114.58 120.16 3ddo h GLU 5079Ca 0.06 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.06 3ddo h GLU 5079Cb 0.49 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3ddo h GLU 5079CO 0.02 -0.02 -0.64 0.93 -1.18 0.00 0.00 179.01 178.12 3ddo h GLU 5080N -0.03 0.62 -0.81 1.92 5.08 -1.19 -0.72 114.58 119.45 3ddo h GLU 5080Ca 0.13 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 3ddo h GLU 5080Cb 0.22 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3ddo h GLU 5080CO -0.28 1.06 0.37 -0.07 -1.00 0.00 0.00 179.01 179.09 3ddo h LEU 5081N 0.45 1.08 -0.61 1.33 3.38 -0.88 -2.12 115.31 117.93 3ddo h LEU 5081Ca -0.01 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ddo h LEU 5081Cb 1.22 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 3ddo h LEU 5081CO 0.12 0.92 0.40 0.00 0.09 0.00 0.00 178.44 179.97 3ddo h ALA 5082N 1.20 0.79 -0.67 1.53 0.00 -0.41 -0.84 119.26 120.85 3ddo h ALA 5082Ca 0.28 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3ddo h ALA 5082Cb 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3ddo h ALA 5082CO -0.03 0.18 0.44 1.96 0.00 0.00 0.00 179.25 181.80 3ddo h GLN 5083N 0.80 0.58 -0.00 0.00 4.20 -0.87 -1.31 115.11 118.51 3ddo h GLN 5083Ca 0.23 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3ddo h GLN 5083Cb -0.05 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3ddo h GLN 5083CO -0.07 0.38 -0.06 1.28 -0.67 0.00 0.00 178.83 179.69 3ddo n LEU 5084N -4.48 0.18 0.00 1.46 4.77 -0.53 -4.89 117.00 113.50 3ddo n LEU 5084Ca 0.10 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3ddo n LEU 5084Cb 0.29 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3ddo n LEU 5084CO 0.34 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3ddo n GLY 5085N 1.32 0.93 3.73 -0.72 0.00 -0.49 -4.78 105.19 105.17 3ddo n GLY 5085Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3ddo n GLY 5085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddo s ILE 5086N -2.00 3.50 0.00 -0.61 -1.09 -0.43 -4.51 121.20 116.06 3ddo s ILE 5086Ca 0.00 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.64 3ddo s ILE 5086Cb 0.00 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3ddo s ILE 5086CO 0.00 0.18 0.00 0.54 -1.23 0.00 0.00 174.94 174.43 3ddo n ARG 5087N 2.77 3.73 -4.59 2.79 5.12 0.40 -4.24 116.66 122.64 3ddo n ARG 5087Ca 0.06 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.73 3ddo n ARG 5087Cb 0.44 -0.68 -0.16 0.00 -1.16 0.00 0.00 32.46 30.90 3ddo n ARG 5087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3ddo s THR 5088N -1.31 1.14 -0.10 0.55 2.01 -0.82 -0.80 115.64 116.30 3ddo s THR 5088Ca 0.00 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.53 3ddo s THR 5088Cb 0.00 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.49 3ddo s THR 5088CO 0.00 0.35 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.76 3ddo s PHE 5089N 0.60 1.99 -0.24 4.92 0.08 0.88 -0.91 117.98 125.30 3ddo s PHE 5089Ca -0.13 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.04 3ddo s PHE 5089Cb -0.15 -1.42 0.04 0.00 -0.57 0.00 0.00 43.02 40.93 3ddo s PHE 5089CO 0.03 -0.44 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.09 3ddo s LEU 5090N 0.83 3.10 0.05 -0.37 1.43 -0.38 -1.55 118.68 121.79 3ddo s LEU 5090Ca -0.10 -1.10 -0.25 0.00 -1.03 0.00 0.00 54.13 51.65 3ddo s LEU 5090Cb -0.15 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.44 3ddo s LEU 5090CO 0.01 -0.14 0.75 -0.60 0.23 0.00 0.00 176.35 176.60 3ddo s ARG 5091N 1.20 4.48 -0.03 1.70 3.52 -0.17 -0.44 118.95 129.22 3ddo s ARG 5091Ca -0.04 1.04 0.05 0.00 -0.13 0.00 0.00 55.73 56.66 3ddo s ARG 5091Cb -0.18 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 3ddo s ARG 5091CO -0.07 0.31 -0.18 -1.50 -0.81 0.00 0.00 175.30 173.05 3ddo s ILE 5092N -0.15 1.48 0.36 4.11 1.10 -1.25 -1.41 121.20 125.44 3ddo s ILE 5092Ca 0.38 -0.77 -0.12 0.00 -0.51 0.00 0.00 60.65 59.62 3ddo s ILE 5092Cb -0.20 -1.26 0.03 0.00 0.15 0.00 0.00 42.46 41.18 3ddo s ILE 5092CO 0.23 0.42 0.68 -0.83 -2.11 0.00 0.00 174.94 173.33 3ddo s GLY 5093N -0.18 0.66 0.10 1.50 0.00 -0.87 -4.19 107.32 104.34 3ddo s GLY 5093Ca 0.01 -0.94 0.10 0.00 0.00 0.00 0.00 44.72 43.89 3ddo s GLY 5093CO 0.01 -0.50 -0.25 -0.51 0.00 0.00 0.00 173.10 171.85 3ddo s THR 5094N -2.74 2.37 0.13 0.90 -4.23 -1.26 -1.26 115.64 109.54 3ddo s THR 5094Ca 0.20 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 59.00 3ddo s THR 5094Cb -0.04 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.78 3ddo s THR 5094CO 0.13 0.17 0.29 0.28 -0.54 0.00 0.00 174.62 174.96 3ddo s THR 5095N -1.01 0.10 0.60 3.99 -1.32 0.35 -4.87 115.64 113.47 3ddo s THR 5095Ca 0.14 -1.05 -0.05 0.00 -1.21 0.00 0.00 61.69 59.53 3ddo s THR 5095Cb -0.10 -1.44 0.13 0.00 -1.51 0.00 0.00 72.50 69.58 3ddo s THR 5095CO 0.06 -0.44 0.82 0.61 -2.21 0.00 0.00 174.62 173.46 3ddo n GLY 5096N -0.16 -0.18 3.08 6.08 0.00 -1.26 -0.58 105.19 112.17 3ddo n GLY 5096Ca -0.13 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 3ddo n GLY 5096CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddo s ALA 5097N -3.44 0.59 -0.32 4.61 0.00 -0.80 -4.51 121.76 117.90 3ddo s ALA 5097Ca 0.50 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.51 3ddo s ALA 5097Cb -0.02 0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.36 3ddo s ALA 5097CO 0.34 -0.18 1.09 0.44 0.00 0.00 0.00 175.76 177.45 3ddo n ILE 5098N 0.76 1.03 -4.58 0.00 -5.35 -0.03 -3.54 119.36 107.65 3ddo n ILE 5098Ca -0.18 -1.03 -0.33 0.00 -0.27 0.00 0.00 62.75 60.93 3ddo n ILE 5098Cb 0.58 0.48 -0.12 0.00 -1.74 0.00 0.00 39.64 38.83 3ddo n ILE 5098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3ddo s GLN 5099N -1.05 3.31 0.56 6.28 -1.52 -1.24 -4.87 119.66 121.13 3ddo s GLN 5099Ca 0.09 -0.58 0.30 0.00 -1.95 0.00 0.00 55.36 53.22 3ddo s GLN 5099Cb 0.05 -2.73 1.67 0.00 -0.22 0.00 0.00 33.01 31.78 3ddo s GLN 5099CO 0.05 0.36 2.16 -1.35 -0.25 0.00 0.00 175.29 176.27 3ddo h PRO 5100N 6.26 0.00 0.00 2.91 0.11 -1.93 -2.36 132.00 136.99 3ddo h PRO 5100Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3ddo h PRO 5100Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ddo h PRO 5100CO 0.58 0.06 -0.18 -2.39 -0.21 0.00 0.00 178.00 175.86 3ddo n HIS 5101N -3.65 0.20 -3.19 0.65 1.44 -1.26 -4.72 115.22 104.69 3ddo n HIS 5101Ca -0.02 0.06 -0.40 0.00 -2.01 0.00 0.00 57.72 55.34 3ddo n HIS 5101Cb 0.17 -0.52 -0.07 0.00 0.12 0.00 0.00 29.99 29.68 3ddo n HIS 5101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3ddo s ILE 5102N -3.03 5.02 0.20 0.61 1.01 -0.89 -5.06 121.20 119.06 3ddo s ILE 5102Ca 0.12 0.86 0.05 0.00 0.00 0.00 0.00 60.65 61.68 3ddo s ILE 5102Cb 0.17 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3ddo s ILE 5102CO 0.60 -0.00 0.22 0.20 0.00 0.00 0.00 174.94 175.96 3ddo s ASN 5103N 1.58 5.81 0.30 3.58 0.01 -1.26 -4.89 114.94 120.07 3ddo s ASN 5103Ca 0.23 -0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 52.00 3ddo s ASN 5103Cb -0.15 -1.59 -0.12 0.00 0.41 0.00 0.00 41.25 39.80 3ddo s ASN 5103CO 0.10 0.01 1.50 0.52 -1.51 0.00 0.00 177.10 177.72 3ddo n VAL 5104N -0.84 1.28 0.00 1.60 0.31 -1.26 -1.65 118.33 117.77 3ddo n VAL 5104Ca -0.08 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 3ddo n VAL 5104Cb 0.56 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 3ddo n VAL 5104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ddo n GLY 5105N 1.72 3.29 3.75 2.92 0.00 -0.07 -5.01 105.19 111.78 3ddo n GLY 5105Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3ddo n GLY 5105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddo s ASP 5106N -0.75 4.14 -0.05 1.61 1.11 -0.66 -4.77 116.67 117.30 3ddo s ASP 5106Ca 0.00 1.78 0.05 0.00 0.18 0.00 0.00 52.55 54.56 3ddo s ASP 5106Cb 0.00 -2.45 -0.02 0.00 1.07 0.00 0.00 42.92 41.52 3ddo s ASP 5106CO 0.00 -2.26 -0.21 -0.69 1.18 0.00 0.00 175.17 173.19 3ddo s VAL 5107N -2.89 2.48 -0.15 -1.27 1.01 0.64 -1.30 120.40 118.91 3ddo s VAL 5107Ca 0.62 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3ddo s VAL 5107Cb -0.18 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 3ddo s VAL 5107CO 0.56 0.58 -0.11 -0.76 0.00 0.00 0.00 175.10 175.37 3ddo s LEU 5108N -0.42 2.78 -0.18 3.92 1.43 0.31 -0.52 118.68 126.00 3ddo s LEU 5108Ca 0.04 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 3ddo s LEU 5108Cb -0.12 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 3ddo s LEU 5108CO 0.02 0.12 -0.06 -0.69 0.23 0.00 0.00 176.35 175.97 3ddo s VAL 5109N 0.62 3.50 -0.23 -1.59 1.01 0.30 -1.18 120.40 122.83 3ddo s VAL 5109Ca -0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 3ddo s VAL 5109Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3ddo s VAL 5109CO 0.03 0.47 0.36 -0.89 0.00 0.00 0.00 175.10 175.07 3ddo s THR 5110N 0.85 5.21 -0.03 3.92 2.01 -1.01 -1.77 115.64 124.82 3ddo s THR 5110Ca -0.01 0.60 0.12 0.00 0.31 0.00 0.00 61.69 62.70 3ddo s THR 5110Cb -0.15 -3.69 -0.16 0.00 0.01 0.00 0.00 72.50 68.51 3ddo s THR 5110CO 0.01 0.23 0.99 0.71 -0.69 0.00 0.00 174.62 175.87 3ddo h THR 5111N 5.16 1.03 -1.91 -0.82 1.35 -1.23 -3.41 112.91 113.08 3ddo h THR 5111Ca -0.35 -2.69 0.19 0.00 -0.55 0.00 0.00 66.41 63.01 3ddo h THR 5111Cb 1.16 2.46 -0.16 0.00 -1.73 0.00 0.00 68.15 69.88 3ddo h THR 5111CO 0.68 0.59 0.64 0.00 -0.25 0.00 0.00 175.52 177.18 3ddo s ALA 5112N -2.75 -1.94 0.05 6.62 0.00 -1.26 -0.99 121.76 121.49 3ddo s ALA 5112Ca -0.01 1.17 0.08 0.00 0.00 0.00 0.00 51.96 53.21 3ddo s ALA 5112Cb 0.09 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 3ddo s ALA 5112CO 0.81 -0.70 -0.24 -1.12 0.00 0.00 0.00 175.76 174.52 3ddo s SER 5113N -2.42 2.83 0.00 0.00 0.01 0.25 -2.09 113.70 112.29 3ddo s SER 5113Ca 0.08 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 3ddo s SER 5113Cb -0.01 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 3ddo s SER 5113CO -0.06 0.20 1.35 -0.69 0.41 0.00 0.00 173.24 174.44 3ddo s VAL 5114N -0.84 3.80 -1.19 3.43 1.01 0.87 -4.35 120.40 123.14 3ddo s VAL 5114Ca 0.10 1.20 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 3ddo s VAL 5114Cb -0.09 -3.77 0.13 0.00 0.00 0.00 0.00 36.38 32.65 3ddo s VAL 5114CO 0.02 0.01 1.48 -0.13 0.00 0.00 0.00 175.10 176.48 3ddo s ARG 5115N 2.15 3.98 -0.50 2.72 0.52 -1.26 -1.43 118.95 125.12 3ddo s ARG 5115Ca 0.62 -2.24 0.03 0.00 -0.52 0.00 0.00 55.73 53.61 3ddo s ARG 5115Cb -0.30 -5.19 0.60 0.00 0.52 0.00 0.00 34.95 30.58 3ddo s ARG 5115CO 0.26 -1.92 1.92 1.28 0.02 0.00 0.00 175.30 176.86 3ddo n LEU 5116N 6.66 6.86 0.00 2.53 4.77 -0.34 -4.94 117.00 132.54 3ddo n LEU 5116Ca 0.38 -3.81 -0.32 0.00 -0.03 0.00 0.00 56.01 52.24 3ddo n LEU 5116Cb 0.45 -0.86 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 3ddo n LEU 5116CO 0.65 1.18 -0.23 -0.90 -1.33 0.00 0.00 177.39 176.76 3ddo n ASP 5117N -1.08 3.18 -0.05 -1.43 5.75 -1.20 -1.77 116.55 119.95 3ddo n ASP 5117Ca 0.59 -3.20 -0.06 0.00 -0.01 0.00 0.00 54.79 52.12 3ddo n ASP 5117Cb 1.38 0.42 -0.07 0.00 -1.03 0.00 0.00 41.12 41.82 3ddo n ASP 5117CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ddo n GLY 5118N -0.98 -0.35 0.20 6.12 0.00 -1.26 -4.73 105.19 104.20 3ddo n GLY 5118Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3ddo n GLY 5118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddo h ALA 5119N 0.29 1.27 -0.75 4.61 0.00 -1.98 -2.47 119.26 120.23 3ddo h ALA 5119Ca -0.25 -0.35 0.10 0.00 0.00 0.00 0.00 54.91 54.41 3ddo h ALA 5119Cb 1.50 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 3ddo h ALA 5119CO -0.01 0.51 0.49 0.66 0.00 0.00 0.00 179.25 180.91 3ddo h SER 5120N 0.15 0.59 0.42 0.00 4.64 -1.85 -0.10 113.55 117.40 3ddo h SER 5120Ca 0.02 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3ddo h SER 5120Cb 0.68 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3ddo h SER 5120CO 0.05 0.35 0.00 0.18 -0.87 0.00 0.00 176.83 176.54 3ddo n LEU 5121N -4.50 0.27 -0.29 5.97 4.77 -0.93 -1.31 117.00 120.99 3ddo n LEU 5121Ca 0.13 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.83 3ddo n LEU 5121Cb 0.34 -0.56 0.63 0.00 -2.33 0.00 0.00 43.42 41.49 3ddo n LEU 5121CO 0.33 -0.47 0.91 1.41 -1.33 0.00 0.00 177.39 178.23 3ddo n HIS 5122N -1.81 0.00 0.00 -1.77 8.25 -0.05 -4.03 115.22 115.81 3ddo n HIS 5122Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3ddo n HIS 5122Cb 0.14 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3ddo n HIS 5122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ddo n PHE 5123N -0.36 0.00 -3.57 4.41 3.72 -0.42 -5.09 117.46 116.15 3ddo n PHE 5123Ca 0.19 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.42 3ddo n PHE 5123Cb 0.28 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.76 3ddo n PHE 5123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ddo s ALA 5124N -1.98 -1.71 0.97 4.37 0.00 -0.83 -4.99 121.76 117.59 3ddo s ALA 5124Ca 0.00 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.32 3ddo s ALA 5124Cb 0.00 -0.35 0.18 0.00 0.00 0.00 0.00 23.12 22.94 3ddo s ALA 5124CO 0.00 -0.35 1.08 -1.25 0.00 0.00 0.00 175.76 175.24 3ddo s PRO 5125N -0.71 0.60 0.54 0.00 0.04 -1.26 -4.00 135.00 130.22 3ddo s PRO 5125Ca -0.08 0.88 0.22 0.00 0.04 0.00 0.00 61.00 62.07 3ddo s PRO 5125Cb -0.02 -1.73 1.48 0.00 0.04 0.00 0.00 34.50 34.27 3ddo s PRO 5125CO 0.07 -2.71 2.16 1.98 0.04 0.00 0.00 177.00 178.55 3ddo h MET 5126N -1.89 0.00 0.00 4.56 4.05 -1.94 -1.43 114.93 118.27 3ddo h MET 5126Ca -0.52 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.89 3ddo h MET 5126Cb 1.30 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.10 3ddo h MET 5126CO 0.52 0.04 -0.03 0.93 0.23 0.00 0.00 176.91 178.60 3ddo h GLU 5127N 0.00 0.00 -6.65 0.39 3.07 -2.03 -3.43 114.58 105.93 3ddo h GLU 5127Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 3ddo h GLU 5127Cb 0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3ddo h GLU 5127CO 0.00 0.03 0.44 0.12 -1.40 0.00 0.00 179.01 178.20 3ddo s PHE 5128N -4.38 3.69 0.10 4.33 5.36 -0.54 -5.00 117.98 121.53 3ddo s PHE 5128Ca -0.04 1.68 -0.30 0.00 -0.96 0.00 0.00 56.93 57.31 3ddo s PHE 5128Cb 0.14 -3.19 -0.05 0.00 -0.34 0.00 0.00 43.02 39.57 3ddo s PHE 5128CO 0.52 -0.30 0.99 -1.25 -1.46 0.00 0.00 175.22 173.73 3ddo s PRO 5129N -0.39 4.65 -1.39 10.12 0.04 -1.26 -4.94 135.00 141.83 3ddo s PRO 5129Ca 0.48 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 3ddo s PRO 5129Cb -0.28 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 30.92 3ddo s PRO 5129CO 0.33 0.13 2.10 0.00 0.04 0.00 0.00 177.00 179.61 3ddo n ALA 5130N 2.99 4.96 -2.80 8.56 0.00 -1.26 -4.76 120.51 128.20 3ddo n ALA 5130Ca 0.03 -3.84 -0.36 0.00 0.00 0.00 0.00 53.44 49.27 3ddo n ALA 5130Cb 0.49 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.31 3ddo n ALA 5130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ddo s VAL 5131N 3.60 5.03 0.59 0.00 0.11 -1.26 -0.59 120.40 127.88 3ddo s VAL 5131Ca 0.49 -0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.39 3ddo s VAL 5131Cb 0.12 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 3ddo s VAL 5131CO -0.04 0.59 1.04 0.00 -3.33 0.00 0.00 175.10 173.36 3ddo s ALA 5132N -0.99 2.81 0.32 1.54 0.00 -0.17 -4.66 121.76 120.61 3ddo s ALA 5132Ca 0.15 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 3ddo s ALA 5132Cb -0.12 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3ddo s ALA 5132CO 0.04 -0.74 1.31 0.34 0.00 0.00 0.00 175.76 176.71 3ddo s ASP 5133N -3.02 6.78 0.18 0.00 2.15 0.06 -4.95 116.67 117.87 3ddo s ASP 5133Ca 0.62 2.67 -0.09 0.00 0.43 0.00 0.00 52.55 56.18 3ddo s ASP 5133Cb -0.14 -2.65 0.06 0.00 -0.30 0.00 0.00 42.92 39.89 3ddo s ASP 5133CO 0.39 -0.54 1.60 0.15 -0.17 0.00 0.00 175.17 176.60 3ddo h PHE 5134N 3.54 1.13 -0.62 -5.34 3.57 -1.96 -1.53 116.94 115.73 3ddo h PHE 5134Ca -0.49 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 60.70 3ddo h PHE 5134Cb 1.23 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 3ddo h PHE 5134CO 0.56 1.05 0.11 0.00 -2.23 0.00 0.00 178.31 177.80 3ddo h ALA 5135N 0.95 0.83 -0.19 2.41 0.00 -1.96 0.04 119.26 121.34 3ddo h ALA 5135Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ddo h ALA 5135Cb 0.69 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ddo h ALA 5135CO 0.05 0.58 0.03 0.00 0.00 0.00 0.00 179.25 179.91 3ddo h THR 5137N 0.11 1.15 -0.40 0.00 2.02 -1.18 -0.77 112.91 113.84 3ddo h THR 5137Ca 0.06 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 66.95 3ddo h THR 5137Cb 0.31 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3ddo h THR 5137CO 0.00 0.15 0.15 0.74 0.37 0.00 0.00 175.52 176.94 3ddo h THR 5138N 0.67 0.90 -0.63 3.16 2.02 -0.89 -0.84 112.91 117.30 3ddo h THR 5138Ca 0.18 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.26 3ddo h THR 5138Cb -0.02 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3ddo h THR 5138CO -0.03 0.06 0.41 0.00 0.37 0.00 0.00 175.52 176.33 3ddo h ALA 5139N 1.25 0.80 -0.45 6.16 0.00 -0.38 -0.84 119.26 125.80 3ddo h ALA 5139Ca 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ddo h ALA 5139Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ddo h ALA 5139CO -0.17 0.21 0.05 -0.07 0.00 0.00 0.00 179.25 179.27 3ddo h LEU 5140N 0.84 0.73 -0.52 0.00 3.38 -0.84 -0.62 115.31 118.28 3ddo h LEU 5140Ca 0.23 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3ddo h LEU 5140Cb -0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3ddo h LEU 5140CO -0.06 0.83 -0.04 0.58 0.09 0.00 0.00 178.44 179.84 3ddo h VAL 5141N 0.61 1.27 -0.06 1.22 2.07 -0.90 0.10 116.25 120.56 3ddo h VAL 5141Ca 0.13 -1.15 -0.13 0.00 0.82 0.00 0.00 66.70 66.38 3ddo h VAL 5141Cb 0.42 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3ddo h VAL 5141CO 0.01 0.41 -0.53 -0.33 0.02 0.00 0.00 177.57 177.15 3ddo h GLU 5142N 0.81 0.17 -0.23 1.57 5.08 -1.10 -1.51 114.58 119.37 3ddo h GLU 5142Ca 0.14 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 3ddo h GLU 5142Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3ddo h GLU 5142CO 0.03 0.66 -0.50 0.00 -1.00 0.00 0.00 179.01 178.21 3ddo h ALA 5143N 1.32 0.70 -0.64 3.43 0.00 -0.86 -1.41 119.26 121.80 3ddo h ALA 5143Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3ddo h ALA 5143Cb 0.99 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3ddo h ALA 5143CO 0.08 0.68 0.25 0.00 0.00 0.00 0.00 179.25 180.25 3ddo h ALA 5144N 0.96 0.83 -0.44 0.00 0.00 -0.72 -2.93 119.26 116.96 3ddo h ALA 5144Ca 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3ddo h ALA 5144Cb 1.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3ddo h ALA 5144CO 0.10 0.46 -0.11 -0.22 0.00 0.00 0.00 179.25 179.47 3ddo h LYS 5145N 0.90 0.79 0.00 0.00 3.64 -1.14 -1.66 116.57 119.10 3ddo h LYS 5145Ca 0.21 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3ddo h LYS 5145Cb 0.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3ddo h LYS 5145CO -0.02 0.87 0.00 0.66 -2.27 0.00 0.00 179.45 178.69 3ddo h SER 5146N 0.71 0.00 -0.19 4.20 4.64 -1.07 -1.96 113.55 119.89 3ddo h SER 5146Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3ddo h SER 5146Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3ddo h SER 5146CO 0.04 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.30 3ddo n ILE 5147N -2.86 0.45 -1.58 0.95 -5.35 -1.08 -4.99 119.36 104.89 3ddo n ILE 5147Ca -0.00 -0.72 -0.05 0.00 -0.27 0.00 0.00 62.75 61.70 3ddo n ILE 5147Cb 0.21 0.92 -0.01 0.00 -1.74 0.00 0.00 39.64 39.02 3ddo n ILE 5147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ddo n GLY 5148N 0.68 0.48 3.76 3.28 0.00 -0.74 -5.01 105.19 107.65 3ddo n GLY 5148Ca 0.10 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 3ddo n GLY 5148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddo s ALA 5149N -2.21 3.41 -0.34 4.61 0.00 -0.65 -4.97 121.76 121.61 3ddo s ALA 5149Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.63 3ddo s ALA 5149Cb 0.00 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 3ddo s ALA 5149CO 0.00 -0.26 1.44 0.99 0.00 0.00 0.00 175.76 177.93 3ddo s THR 5150N -1.18 3.91 -0.06 0.00 2.01 -1.26 -4.71 115.64 114.35 3ddo s THR 5150Ca 0.46 0.98 0.05 0.00 0.31 0.00 0.00 61.69 63.49 3ddo s THR 5150Cb -0.33 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.11 3ddo s THR 5150CO 0.43 -0.56 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.69 3ddo s THR 5151N 5.17 2.32 -0.09 -0.82 2.01 -1.26 -0.26 115.64 122.71 3ddo s THR 5151Ca 0.63 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.68 3ddo s THR 5151Cb -0.17 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 3ddo s THR 5151CO 0.29 0.57 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.60 3ddo s HIS 5152N -0.30 2.63 -0.14 4.92 3.76 0.33 -4.96 115.29 121.52 3ddo s HIS 5152Ca 0.01 -0.66 0.01 0.00 -0.15 0.00 0.00 55.06 54.27 3ddo s HIS 5152Cb -0.13 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.87 3ddo s HIS 5152CO 0.02 -0.19 -0.18 0.08 -0.85 0.00 0.00 174.74 173.63 3ddo s VAL 5153N 0.00 1.77 -2.22 -0.90 1.01 -1.26 -0.54 120.40 118.26 3ddo s VAL 5153Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.13 3ddo s VAL 5153Cb -0.15 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3ddo s VAL 5153CO 0.05 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3ddo n GLY 5154N 4.40 -0.67 3.83 4.51 0.00 -0.73 -4.95 105.19 111.59 3ddo n GLY 5154Ca -0.19 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 3ddo n GLY 5154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddo s VAL 5155N -4.00 5.26 -0.01 1.61 1.01 -1.26 -0.63 120.40 122.38 3ddo s VAL 5155Ca 0.00 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.59 3ddo s VAL 5155Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3ddo s VAL 5155CO 0.00 0.56 -0.18 -0.89 0.00 0.00 0.00 175.10 174.59 3ddo s THR 5156N -0.80 2.77 -0.20 3.92 2.01 -0.89 -0.64 115.64 121.81 3ddo s THR 5156Ca 0.19 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 3ddo s THR 5156Cb -0.14 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 3ddo s THR 5156CO 0.08 0.49 0.44 0.00 -0.69 0.00 0.00 174.62 174.94 3ddo s ALA 5157N -0.79 3.55 -0.33 7.40 0.00 0.07 -0.09 121.76 131.57 3ddo s ALA 5157Ca 0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 3ddo s ALA 5157Cb -0.10 -2.70 0.06 0.00 0.00 0.00 0.00 23.12 20.38 3ddo s ALA 5157CO 0.02 -0.36 0.07 0.45 0.00 0.00 0.00 175.76 175.94 3ddo s SER 5158N 1.10 5.08 -0.11 0.00 0.15 -0.52 -1.59 113.70 117.82 3ddo s SER 5158Ca 0.21 -1.39 -0.03 0.00 0.70 0.00 0.00 55.95 55.44 3ddo s SER 5158Cb -0.15 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.35 3ddo s SER 5158CO 0.09 -0.34 0.01 -0.55 1.20 0.00 0.00 173.24 173.65 3ddo s SER 5159N 1.42 5.30 0.03 5.45 0.15 0.33 -1.20 113.70 125.18 3ddo s SER 5159Ca -0.02 0.12 0.15 0.00 0.70 0.00 0.00 55.95 56.91 3ddo s SER 5159Cb -0.20 -1.61 0.65 0.00 -1.71 0.00 0.00 66.02 63.14 3ddo s SER 5159CO -0.01 0.33 1.48 0.47 1.20 0.00 0.00 173.24 176.72 3ddo n ASP 5160N 2.48 0.07 -4.28 5.45 9.92 -0.73 -4.29 116.55 125.17 3ddo n ASP 5160Ca -0.18 0.52 -0.20 0.00 -0.53 0.00 0.00 54.79 54.40 3ddo n ASP 5160Cb 0.53 -0.53 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 3ddo n ASP 5160CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ddo s THR 5161N -3.04 1.55 0.05 -3.53 -4.23 -1.26 -5.01 115.64 100.18 3ddo s THR 5161Ca 0.07 -1.79 0.09 0.00 -1.18 0.00 0.00 61.69 58.88 3ddo s THR 5161Cb 0.09 -1.66 -0.20 0.00 1.34 0.00 0.00 72.50 72.08 3ddo s THR 5161CO 0.27 -0.35 1.12 0.15 -0.54 0.00 0.00 174.62 175.27 3ddo h PHE 5162N 3.44 0.00 0.00 3.99 3.57 -1.97 -3.39 116.94 122.58 3ddo h PHE 5162Ca -0.41 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3ddo h PHE 5162Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3ddo h PHE 5162CO 0.66 0.96 0.00 0.66 -2.23 0.00 0.00 178.31 178.36 3ddo n TYR 5163N -3.25 0.00 0.05 0.41 4.01 -1.26 -4.38 117.16 112.73 3ddo n TYR 5163Ca -0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.68 3ddo n TYR 5163Cb 0.95 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 40.23 3ddo n TYR 5163CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ddo h PRO 5164N 0.00 0.39 0.00 -0.72 0.13 -1.88 -0.68 132.00 129.24 3ddo h PRO 5164Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3ddo h PRO 5164Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 3ddo h PRO 5164CO 0.00 0.62 0.00 0.78 -0.23 0.00 0.00 178.00 179.17 3ddo h GLY 5165N 1.01 0.00 -2.64 1.56 0.00 -1.87 0.38 103.07 101.51 3ddo h GLY 5165Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3ddo h GLY 5165CO 0.05 0.00 0.01 -1.06 0.00 0.00 0.00 176.54 175.54 3ddo n GLN 5166N -3.04 3.90 -4.04 4.80 6.02 -0.84 -4.94 117.38 119.26 3ddo n GLN 5166Ca -0.01 -3.02 -0.28 0.00 -0.01 0.00 0.00 57.00 53.68 3ddo n GLN 5166Cb 0.20 -2.07 -0.04 0.00 1.02 0.00 0.00 30.24 29.35 3ddo n GLN 5166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3ddo n GLU 5167N 0.03 -2.42 -3.43 -1.09 2.13 0.12 -4.92 120.64 111.07 3ddo n GLU 5167Ca 0.26 0.31 -0.38 0.00 0.66 0.00 0.00 57.16 58.01 3ddo n GLU 5167Cb 1.07 -4.17 -0.06 0.00 0.27 0.00 0.00 31.44 28.55 3ddo n GLU 5167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3ddo s ARG 5168N -6.78 4.12 0.00 5.31 0.52 -0.32 -4.96 118.95 116.83 3ddo s ARG 5168Ca 0.05 0.39 0.14 0.00 -0.52 0.00 0.00 55.73 55.79 3ddo s ARG 5168Cb -0.02 -3.32 -0.11 0.00 0.52 0.00 0.00 34.95 32.01 3ddo s ARG 5168CO 0.92 0.45 0.63 0.66 0.02 0.00 0.00 175.30 177.98 3ddo n TYR 5169N 2.69 0.00 -1.57 -0.53 4.01 -1.26 -4.41 117.16 116.08 3ddo n TYR 5169Ca -0.11 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.23 3ddo n TYR 5169Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.53 3ddo n TYR 5169CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3ddo n ASP 5170N -1.04 7.03 -3.99 7.72 3.85 -1.26 -4.15 116.55 124.71 3ddo n ASP 5170Ca 0.03 -2.75 -0.19 0.00 -0.71 0.00 0.00 54.79 51.17 3ddo n ASP 5170Cb 0.23 -1.56 -0.09 0.00 -1.35 0.00 0.00 41.12 38.35 3ddo n ASP 5170CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3ddo s THR 5171N 2.00 0.36 0.15 2.12 -4.23 -1.26 -5.02 115.64 109.76 3ddo s THR 5171Ca 0.60 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.91 3ddo s THR 5171Cb 0.16 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.52 3ddo s THR 5171CO -0.07 0.00 1.67 0.22 -0.54 0.00 0.00 174.62 175.90 3ddo h TYR 5172N 2.17 -0.27 0.00 3.99 3.20 -1.99 -2.92 116.97 121.15 3ddo h TYR 5172Ca -0.34 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.36 3ddo h TYR 5172Cb 1.25 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.65 3ddo h TYR 5172CO 1.08 -0.18 -1.12 0.66 -1.64 0.00 0.00 178.16 176.95 3ddo h SER 5173N -0.08 0.00 -0.17 -2.11 4.64 -1.97 -3.47 113.55 110.39 3ddo h SER 5173Ca 0.14 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 3ddo h SER 5173Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3ddo h SER 5173CO -0.31 0.84 -0.07 0.61 -0.87 0.00 0.00 176.83 177.03 3ddo n GLY 5174N 1.38 0.52 3.67 -0.77 0.00 -1.11 -4.99 105.19 103.88 3ddo n GLY 5174Ca -0.05 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3ddo n GLY 5174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ddo s ARG 5175N -1.78 2.67 -0.08 1.61 3.52 -1.26 -4.91 118.95 118.72 3ddo s ARG 5175Ca 0.00 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 3ddo s ARG 5175Cb 0.00 -2.60 0.01 0.00 -1.56 0.00 0.00 34.95 30.80 3ddo s ARG 5175CO 0.00 0.60 -0.13 0.08 -0.81 0.00 0.00 175.30 175.04 3ddo s VAL 5176N -1.14 1.22 0.64 7.11 1.01 -1.26 -4.92 120.40 123.06 3ddo s VAL 5176Ca 0.21 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 3ddo s VAL 5176Cb -0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3ddo s VAL 5176CO 0.12 0.38 1.02 0.55 0.00 0.00 0.00 175.10 177.18 3ddo n VAL 5177N 3.99 3.89 -0.28 2.92 3.14 -1.26 -4.55 118.33 126.18 3ddo n VAL 5177Ca -0.21 -0.48 0.08 0.00 -2.96 0.00 0.00 64.34 60.76 3ddo n VAL 5177Cb 0.51 -1.20 0.19 0.00 -1.06 0.00 0.00 33.84 32.29 3ddo n VAL 5177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3ddo h ARG 5178N 0.34 0.10 -1.02 1.45 2.43 -2.00 0.34 114.38 116.02 3ddo h ARG 5178Ca -0.49 -0.01 0.25 0.00 -0.81 0.00 0.00 59.98 58.92 3ddo h ARG 5178Cb 1.36 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.78 3ddo h ARG 5178CO 0.50 0.06 0.64 -0.09 -1.51 0.00 0.00 179.97 179.58 3ddo h ARG 5179N 0.10 0.48 -0.01 0.20 2.43 -2.02 -2.44 114.38 113.12 3ddo h ARG 5179Ca 0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3ddo h ARG 5179Cb 0.85 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3ddo h ARG 5179CO -0.71 0.32 -0.32 1.19 -1.51 0.00 0.00 179.97 178.93 3ddo n PHE 5180N -4.70 0.00 -2.07 2.20 3.72 0.06 -4.73 117.46 111.94 3ddo n PHE 5180Ca 0.25 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.23 3ddo n PHE 5180Cb 0.79 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.30 3ddo n PHE 5180CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3ddo s LYS 5181N -1.93 4.24 0.00 -1.08 2.20 -0.89 -1.68 119.74 120.60 3ddo s LYS 5181Ca 0.14 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 3ddo s LYS 5181Cb 0.14 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3ddo s LYS 5181CO 0.41 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 3ddo n GLY 5182N 3.79 0.81 0.26 5.54 0.00 -1.26 -4.93 105.19 109.41 3ddo n GLY 5182Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 3ddo n GLY 5182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ddo h SER 5183N 0.00 0.71 -0.41 1.61 4.64 -1.61 -2.96 113.55 115.52 3ddo h SER 5183Ca 0.00 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3ddo h SER 5183Cb 0.02 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3ddo h SER 5183CO 0.00 0.89 0.23 -0.03 -0.87 0.00 0.00 176.83 177.06 3ddo h MET 5184N 0.63 0.57 -0.43 4.77 -1.53 -1.92 -0.89 114.93 116.13 3ddo h MET 5184Ca 0.10 -0.06 -0.03 0.00 -3.44 0.00 0.00 59.70 56.27 3ddo h MET 5184Cb 0.67 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 3ddo h MET 5184CO 0.05 0.45 0.16 1.49 0.14 0.00 0.00 176.91 179.20 3ddo h GLU 5185N 0.54 0.62 -0.11 0.39 4.22 -1.96 -0.32 114.58 117.94 3ddo h GLU 5185Ca 0.15 -0.09 -0.02 0.00 0.08 0.00 0.00 59.36 59.49 3ddo h GLU 5185Cb 0.04 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3ddo h GLU 5185CO -0.02 0.52 0.01 0.93 -2.18 0.00 0.00 179.01 178.27 3ddo h GLU 5186N 0.61 0.19 -0.68 1.92 5.08 -1.23 -1.47 114.58 119.01 3ddo h GLU 5186Ca 0.15 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3ddo h GLU 5186Cb 0.14 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3ddo h GLU 5186CO -0.01 0.41 0.26 -1.49 -1.00 0.00 0.00 179.01 177.18 3ddo h TRP 5187N -0.06 1.01 -0.73 4.33 -0.00 -0.81 -1.89 115.95 117.81 3ddo h TRP 5187Ca 0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 58.89 58.86 3ddo h TRP 5187Cb 0.32 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.16 29.14 3ddo h TRP 5187CO 0.02 0.78 0.46 1.96 -0.00 0.00 0.00 178.44 181.66 3ddo h GLN 5188N 0.98 0.98 0.00 0.49 4.20 -0.94 -1.25 115.11 119.57 3ddo h GLN 5188Ca 0.23 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 3ddo h GLN 5188Cb 0.20 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3ddo h GLN 5188CO -0.02 0.67 -0.23 0.00 -0.67 0.00 0.00 178.83 178.59 3ddo h ALA 5189N 1.25 1.16 -0.25 3.87 0.00 -0.85 -1.66 119.26 122.78 3ddo h ALA 5189Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ddo h ALA 5189Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ddo h ALA 5189CO -0.05 0.28 0.00 -1.33 0.00 0.00 0.00 179.25 178.15 3ddo n MET 5190N -3.59 1.75 -0.86 0.00 2.81 -0.75 -4.92 117.12 111.56 3ddo n MET 5190Ca -0.01 -1.15 0.00 0.00 -1.81 0.00 0.00 57.70 54.73 3ddo n MET 5190Cb 0.36 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 3ddo n MET 5190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ddo n GLY 5191N 1.09 0.56 3.76 3.03 0.00 -0.62 -5.02 105.19 107.99 3ddo n GLY 5191Ca 0.14 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3ddo n GLY 5191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddo s VAL 5192N -2.00 2.41 0.05 1.61 1.01 -0.54 -4.62 120.40 118.32 3ddo s VAL 5192Ca 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 3ddo s VAL 5192Cb 0.00 -3.23 -0.29 0.00 0.00 0.00 0.00 36.38 32.86 3ddo s VAL 5192CO 0.00 0.07 1.03 0.24 0.00 0.00 0.00 175.10 176.44 3ddo h MET 5193N 4.38 0.29 -1.56 2.72 0.00 -1.21 -3.42 114.93 116.14 3ddo h MET 5193Ca -0.48 -0.50 0.27 0.00 0.00 0.00 0.00 59.70 58.99 3ddo h MET 5193Cb 1.22 0.19 -0.16 0.00 0.00 0.00 0.00 31.60 32.85 3ddo h MET 5193CO 0.74 1.21 0.78 0.54 0.00 0.00 0.00 176.91 180.18 3ddo s ASN 5194N -7.14 -0.12 -0.01 1.22 4.22 -1.26 -0.85 114.94 111.00 3ddo s ASN 5194Ca -0.06 -0.07 0.00 0.00 -2.14 0.00 0.00 52.86 50.59 3ddo s ASN 5194Cb 0.07 0.18 -0.04 0.00 1.28 0.00 0.00 41.25 42.74 3ddo s ASN 5194CO 0.88 -0.31 0.05 -0.31 -2.04 0.00 0.00 177.10 175.36 3ddo s TYR 5195N -2.51 3.20 0.00 1.54 2.02 -1.26 -0.75 117.35 119.60 3ddo s TYR 5195Ca 0.11 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 3ddo s TYR 5195Cb 0.01 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 3ddo s TYR 5195CO -0.04 0.52 0.00 -0.85 -1.57 0.00 0.00 175.55 173.60 3ddo n GLU 5196N 1.36 0.00 0.00 -0.62 -0.00 -0.62 -4.56 120.64 116.20 3ddo n GLU 5196Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.02 3ddo n GLU 5196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 3ddo n GLU 5196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3ddo n MET 5197N 0.00 0.95 0.00 3.44 2.81 -1.26 -0.51 117.12 122.55 3ddo n MET 5197Ca 0.00 -0.81 0.00 0.00 -1.81 0.00 0.00 57.70 55.08 3ddo n MET 5197Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 3ddo n MET 5197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3ddo n GLU 5198N -0.19 3.28 0.07 0.03 4.71 -1.26 -3.34 120.64 123.93 3ddo n GLU 5198Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 3ddo n GLU 5198Cb 0.26 -0.56 0.07 0.00 -1.01 0.00 0.00 31.44 30.20 3ddo n GLU 5198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3ddo h SER 5199N 0.00 0.37 -0.44 1.62 4.64 -1.94 -1.99 113.55 115.81 3ddo h SER 5199Ca 0.00 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3ddo h SER 5199Cb 0.00 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 3ddo h SER 5199CO 0.00 0.94 0.28 0.00 -0.87 0.00 0.00 176.83 177.18 3ddo h ALA 5200N 1.06 0.56 0.25 5.18 0.00 -1.87 0.28 119.26 124.71 3ddo h ALA 5200Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ddo h ALA 5200Cb 1.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ddo h ALA 5200CO 0.11 -0.02 -0.12 1.15 0.00 0.00 0.00 179.25 180.38 3ddo h THR 5201N 0.57 0.80 -0.00 0.00 2.02 -1.89 -1.69 112.91 112.71 3ddo h THR 5201Ca 0.17 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3ddo h THR 5201Cb -0.04 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3ddo h THR 5201CO -0.05 0.06 -0.21 0.25 0.37 0.00 0.00 175.52 175.94 3ddo h LEU 5202N -0.48 -0.61 -0.48 2.58 5.85 -1.14 -0.77 115.31 120.27 3ddo h LEU 5202Ca -0.03 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 3ddo h LEU 5202Cb 0.36 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3ddo h LEU 5202CO 0.06 -0.28 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.62 3ddo h LEU 5203N -0.33 0.99 -0.23 2.25 3.38 -0.49 -2.08 115.31 118.80 3ddo h LEU 5203Ca 0.06 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3ddo h LEU 5203Cb 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3ddo h LEU 5203CO -0.20 1.15 -0.08 0.74 0.09 0.00 0.00 178.44 180.15 3ddo h THR 5204N 0.82 1.29 -0.12 0.22 2.02 -1.21 -0.39 112.91 115.55 3ddo h THR 5204Ca 0.11 -1.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.10 3ddo h THR 5204Cb 0.76 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 3ddo h THR 5204CO 0.06 0.34 -0.26 0.00 0.37 0.00 0.00 175.52 176.03 3ddo h MET 5205N 0.18 0.21 0.01 6.66 -0.00 -1.08 -2.07 114.93 118.83 3ddo h MET 5205Ca 0.05 -0.07 -0.03 0.00 -0.00 0.00 0.00 59.70 59.66 3ddo h MET 5205Cb 0.56 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 3ddo h MET 5205CO 0.03 0.46 -0.12 0.00 -0.00 0.00 0.00 176.91 177.28 3ddo h ALA 5207N 0.18 1.54 -0.39 0.00 0.00 -1.00 -1.55 119.26 118.04 3ddo h ALA 5207Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ddo h ALA 5207Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ddo h ALA 5207CO 0.02 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 3ddo n SER 5208N -3.94 3.16 -0.31 0.00 3.41 -0.78 -4.28 113.62 110.87 3ddo n SER 5208Ca -0.03 -1.95 0.02 0.00 -0.26 0.00 0.00 58.87 56.65 3ddo n SER 5208Cb 0.15 -0.26 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3ddo n SER 5208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ddo n GLN 5209N 1.28 0.38 -1.43 4.33 6.02 -0.67 -5.01 117.38 122.29 3ddo n GLN 5209Ca 0.19 -1.21 -0.08 0.00 -0.01 0.00 0.00 57.00 55.89 3ddo n GLN 5209Cb 0.55 -0.70 -0.03 0.00 1.02 0.00 0.00 30.24 31.08 3ddo n GLN 5209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ddo n GLY 5210N -0.28 0.83 3.76 1.08 0.00 -1.01 -5.02 105.19 104.55 3ddo n GLY 5210Ca 0.03 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3ddo n GLY 5210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddo s LEU 5211N -2.01 3.80 -0.05 0.99 1.43 -0.70 -5.05 118.68 117.09 3ddo s LEU 5211Ca 0.00 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.02 3ddo s LEU 5211Cb 0.00 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 3ddo s LEU 5211CO 0.00 0.26 0.48 -0.13 0.23 0.00 0.00 176.35 177.19 3ddo s ARG 5212N -1.78 4.20 0.03 1.70 0.52 0.02 -3.95 118.95 119.68 3ddo s ARG 5212Ca 0.23 0.49 0.01 0.00 -0.52 0.00 0.00 55.73 55.94 3ddo s ARG 5212Cb -0.12 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 31.99 3ddo s ARG 5212CO 0.14 0.38 -0.05 0.00 0.02 0.00 0.00 175.30 175.80 3ddo s ALA 5213N -0.13 0.32 0.18 2.13 0.00 -1.26 -0.08 121.76 122.92 3ddo s ALA 5213Ca 0.26 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 3ddo s ALA 5213Cb -0.16 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3ddo s ALA 5213CO 0.13 -0.10 0.27 0.20 0.00 0.00 0.00 175.76 176.25 3ddo s GLY 5214N -1.53 0.72 -0.08 0.00 0.00 -0.60 -0.76 107.32 105.07 3ddo s GLY 5214Ca -0.13 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.43 3ddo s GLY 5214CO -0.01 -0.95 0.21 -0.29 0.00 0.00 0.00 173.10 172.06 3ddo s MET 5215N -4.02 0.21 0.07 2.90 1.75 -1.26 -1.00 119.30 117.95 3ddo s MET 5215Ca 0.23 0.37 0.05 0.00 -1.25 0.00 0.00 55.69 55.09 3ddo s MET 5215Cb 0.04 0.00 -0.03 0.00 2.84 0.00 0.00 34.83 37.68 3ddo s MET 5215CO 0.04 -0.09 -0.14 0.54 -0.65 0.00 0.00 175.02 174.73 3ddo s VAL 5216N 0.60 1.07 -0.06 10.11 0.11 -0.50 -2.42 120.40 129.31 3ddo s VAL 5216Ca -0.04 -1.26 -0.14 0.00 -2.93 0.00 0.00 61.98 57.61 3ddo s VAL 5216Cb -0.05 -1.03 0.03 0.00 -1.53 0.00 0.00 36.38 33.79 3ddo s VAL 5216CO -0.03 -0.21 0.34 0.00 -3.33 0.00 0.00 175.10 171.86 3ddo s ALA 5217N -1.24 -0.85 -0.11 1.54 0.00 -0.32 -2.05 121.76 118.72 3ddo s ALA 5217Ca -0.02 0.58 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 3ddo s ALA 5217Cb -0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 3ddo s ALA 5217CO 0.02 -0.23 0.36 0.20 0.00 0.00 0.00 175.76 176.10 3ddo s GLY 5218N -0.82 2.31 -0.22 0.00 0.00 -0.39 -0.53 107.32 107.67 3ddo s GLY 5218Ca -0.09 -0.34 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 3ddo s GLY 5218CO 0.03 0.42 1.02 0.14 0.00 0.00 0.00 173.10 174.71 3ddo s VAL 5219N 0.12 4.70 -0.24 1.40 1.01 -0.42 -0.50 120.40 126.46 3ddo s VAL 5219Ca 0.20 1.99 0.05 0.00 0.00 0.00 0.00 61.98 64.23 3ddo s VAL 5219Cb -0.14 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 3ddo s VAL 5219CO 0.07 -0.16 0.22 2.30 0.00 0.00 0.00 175.10 177.54 3ddo n ILE 5220N 5.26 0.00 -3.58 2.22 -5.35 0.25 -0.89 119.36 117.27 3ddo n ILE 5220Ca 0.11 -0.38 -0.11 0.00 -0.27 0.00 0.00 62.75 62.11 3ddo n ILE 5220Cb 0.46 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.33 3ddo n ILE 5220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3ddo s VAL 5221N -1.49 0.03 -0.27 7.28 0.11 -1.23 -4.94 120.40 119.89 3ddo s VAL 5221Ca 0.02 -0.42 -0.02 0.00 -2.93 0.00 0.00 61.98 58.63 3ddo s VAL 5221Cb 0.04 -1.22 0.12 0.00 -1.53 0.00 0.00 36.38 33.79 3ddo s VAL 5221CO 0.21 -0.14 0.27 0.21 -3.33 0.00 0.00 175.10 172.32 3ddo s ASN 5222N -2.80 1.69 0.57 3.54 3.84 -1.26 -1.90 114.94 118.61 3ddo s ASN 5222Ca 0.04 -0.63 0.38 0.00 0.21 0.00 0.00 52.86 52.86 3ddo s ASN 5222Cb -0.00 0.44 2.01 0.00 -0.55 0.00 0.00 41.25 43.15 3ddo s ASN 5222CO -0.10 -0.37 2.16 0.08 -2.79 0.00 0.00 177.10 176.08 3ddo h ARG 5223N 8.28 0.00 0.00 0.43 0.11 -1.97 -0.45 114.38 120.78 3ddo h ARG 5223Ca -0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.93 3ddo h ARG 5223Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 3ddo h ARG 5223CO 0.33 0.00 -0.27 0.25 0.10 0.00 0.00 179.97 180.38 3ddo n THR 5224N -2.89 0.29 -3.48 0.08 -2.24 -1.26 -4.85 114.28 99.94 3ddo n THR 5224Ca -0.02 -0.17 -0.27 0.00 -2.27 0.00 0.00 64.05 61.32 3ddo n THR 5224Cb 0.10 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 3ddo n THR 5224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ddo s GLN 5225N -3.08 3.56 0.07 -0.78 -0.21 -0.18 -4.98 119.66 114.06 3ddo s GLN 5225Ca 0.10 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.30 3ddo s GLN 5225Cb 0.15 -2.72 0.16 0.00 1.00 0.00 0.00 33.01 31.60 3ddo s GLN 5225CO 0.64 0.27 0.35 1.04 -2.12 0.00 0.00 175.29 175.46 3ddo n GLN 5226N -1.00 -0.02 0.00 2.91 6.02 -1.26 -4.95 117.38 119.09 3ddo n GLN 5226Ca -0.03 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 3ddo n GLN 5226Cb 0.54 -0.53 0.00 0.00 1.02 0.00 0.00 30.24 31.28 3ddo n GLN 5226CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3ddo n LYS 5235N -4.11 0.00 0.17 -1.09 4.76 -1.26 -5.17 118.16 111.46 3ddo n LYS 5235Ca 0.05 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.52 3ddo n LYS 5235Cb 0.16 0.00 0.30 0.00 -1.84 0.00 0.00 35.03 33.66 3ddo n LYS 5235CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 3ddo h GLN 5236N 0.00 0.00 -0.41 1.97 5.75 -2.01 -3.10 115.11 117.30 3ddo h GLN 5236Ca 0.00 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 3ddo h GLN 5236Cb 0.00 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3ddo h GLN 5236CO 0.00 0.45 -0.09 1.15 -2.65 0.00 0.00 178.83 177.69 3ddo h THR 5237N 0.00 1.25 -0.59 2.39 2.02 -1.93 -2.17 112.91 113.87 3ddo h THR 5237Ca -0.00 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.03 3ddo h THR 5237Cb 0.87 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 3ddo h THR 5237CO 0.06 0.38 0.19 -0.08 0.37 0.00 0.00 175.52 176.43 3ddo h GLU 5238N 0.66 0.90 -0.40 6.66 4.81 -1.91 -2.39 114.58 122.91 3ddo h GLU 5238Ca 0.12 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 3ddo h GLU 5238Cb 0.54 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3ddo h GLU 5238CO 0.03 0.77 -0.04 0.77 -0.73 0.00 0.00 179.01 179.82 3ddo h SER 5239N 0.87 0.73 -0.08 1.04 0.02 -1.43 -1.68 113.55 113.02 3ddo h SER 5239Ca 0.20 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3ddo h SER 5239Cb 0.25 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3ddo h SER 5239CO -0.01 0.89 0.04 0.45 -1.14 0.00 0.00 176.83 177.06 3ddo h HIS 5240N 0.56 0.13 -0.83 3.45 3.86 -1.24 0.90 115.15 121.97 3ddo h HIS 5240Ca 0.11 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3ddo h HIS 5240Cb 0.54 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.92 3ddo h HIS 5240CO 0.04 0.23 0.55 0.00 0.86 0.00 0.00 177.93 179.61 3ddo h ALA 5241N 0.89 1.50 -0.32 2.45 0.00 -1.44 -1.03 119.26 121.30 3ddo h ALA 5241Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ddo h ALA 5241Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ddo h ALA 5241CO -0.00 0.41 -0.14 0.28 0.00 0.00 0.00 179.25 179.79 3ddo h VAL 5242N 1.02 1.29 -0.80 0.00 2.07 -0.89 -1.55 116.25 117.39 3ddo h VAL 5242Ca 0.34 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3ddo h VAL 5242Cb 0.06 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3ddo h VAL 5242CO -0.10 0.40 0.49 0.11 0.02 0.00 0.00 177.57 178.49 3ddo h LYS 5243N 0.43 1.08 -0.41 1.57 1.79 -0.42 -2.44 116.57 118.16 3ddo h LYS 5243Ca 0.07 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3ddo h LYS 5243Cb 0.67 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 3ddo h LYS 5243CO 0.04 0.75 0.17 0.82 -1.08 0.00 0.00 179.45 180.15 3ddo h ILE 5244N 1.10 1.19 -0.27 1.86 2.04 -0.87 -0.78 117.51 121.78 3ddo h ILE 5244Ca 0.29 -0.59 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 3ddo h ILE 5244Cb -0.06 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3ddo h ILE 5244CO -0.06 0.22 -0.34 1.62 0.00 0.00 0.00 178.15 179.59 3ddo h VAL 5245N 0.52 1.29 -0.31 1.67 3.04 -1.05 0.78 116.25 122.18 3ddo h VAL 5245Ca 0.14 -1.46 -0.11 0.00 -1.01 0.00 0.00 66.70 64.26 3ddo h VAL 5245Cb 0.18 1.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 3ddo h VAL 5245CO -0.01 0.47 -0.23 0.58 -1.01 0.00 0.00 177.57 177.37 3ddo h VAL 5246N 0.49 1.30 -0.70 1.51 2.07 -1.30 -0.44 116.25 119.17 3ddo h VAL 5246Ca 0.05 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.15 3ddo h VAL 5246Cb 0.82 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3ddo h VAL 5246CO 0.07 0.44 0.24 -0.08 0.02 0.00 0.00 177.57 178.26 3ddo h GLU 5247N 0.46 1.07 -0.61 1.57 4.57 -0.98 -1.92 114.58 118.73 3ddo h GLU 5247Ca 0.06 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.00 3ddo h GLU 5247Cb 0.78 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 3ddo h GLU 5247CO 0.06 0.89 0.27 0.00 -1.18 0.00 0.00 179.01 179.06 3ddo h ALA 5248N 1.23 0.79 -0.80 2.92 0.00 -0.73 -2.69 119.26 119.97 3ddo h ALA 5248Ca 0.23 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3ddo h ALA 5248Cb 0.26 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3ddo h ALA 5248CO -0.01 0.37 0.47 0.00 0.00 0.00 0.00 179.25 180.08 3ddo h ALA 5249N 1.11 1.11 -0.91 0.00 0.00 -0.61 -1.20 119.26 118.77 3ddo h ALA 5249Ca 0.21 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.32 3ddo h ALA 5249Cb 0.16 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.67 3ddo h ALA 5249CO -0.02 0.15 0.47 -0.09 0.00 0.00 0.00 179.25 179.77 3ddo h ARG 5250N 0.84 0.56 0.00 0.00 2.43 -1.02 -0.80 114.38 116.39 3ddo h ARG 5250Ca 0.37 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3ddo h ARG 5250Cb 0.25 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3ddo h ARG 5250CO -0.20 0.37 -0.04 0.54 -1.51 0.00 0.00 179.97 179.13 3ddo n ARG 5251N -4.91 0.15 0.00 0.20 1.74 -0.47 -3.52 116.66 109.85 3ddo n ARG 5251Ca 0.21 0.11 0.09 0.00 -0.77 0.00 0.00 57.85 57.49 3ddo n ARG 5251Cb 0.56 -1.66 0.05 0.00 -1.02 0.00 0.00 32.46 30.39 3ddo n ARG 5251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ddo n LEU 5252N -1.92 2.27 0.00 0.55 4.77 -0.33 -5.08 117.00 117.27 3ddo n LEU 5252Ca 0.06 -0.94 0.11 0.00 -0.03 0.00 0.00 56.01 55.22 3ddo n LEU 5252Cb 0.39 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.15 3ddo n LEU 5252CO 0.29 0.41 0.86 0.18 -1.33 0.00 0.00 177.39 177.79