#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkb n GLN 5004N 0.00 0.09 -2.45 3.44 3.00 -1.26 -4.78 117.38 115.42 3dkb n GLN 5004Ca 0.00 -0.10 -0.39 0.00 -0.01 0.00 0.00 57.00 56.50 3dkb n GLN 5004Cb 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 30.24 28.77 3dkb n GLN 5004CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3dkb s VAL 5005N 3.46 3.95 -0.31 5.09 0.11 -1.26 -4.87 120.40 126.58 3dkb s VAL 5005Ca 1.27 -1.50 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 3dkb s VAL 5005Cb -0.82 -5.01 0.09 0.00 -1.53 0.00 0.00 36.38 29.12 3dkb s VAL 5005CO 0.49 -1.76 0.01 -0.76 -3.33 0.00 0.00 175.10 169.75 3dkb s LEU 5006N 5.94 3.92 0.37 2.54 1.43 -1.26 -5.10 118.68 126.51 3dkb s LEU 5006Ca 0.56 -1.83 -0.17 0.00 -1.03 0.00 0.00 54.13 51.66 3dkb s LEU 5006Cb 0.02 -1.46 -0.13 0.00 0.03 0.00 0.00 46.19 44.65 3dkb s LEU 5006CO 0.06 -0.33 0.03 -0.81 0.23 0.00 0.00 176.35 175.53 3dkb n PRO 5007N 4.41 0.00 0.18 1.29 -0.04 -1.26 -4.89 135.00 134.70 3dkb n PRO 5007Ca -0.02 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.57 3dkb n PRO 5007Cb 0.42 -0.86 0.40 0.00 -0.04 0.00 0.00 33.50 33.43 3dkb n PRO 5007CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3dkb h GLN 5008N 0.20 0.00 -4.56 0.54 5.75 -2.00 -3.42 115.11 111.63 3dkb h GLN 5008Ca -0.33 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 57.96 3dkb h GLN 5008Cb 1.24 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 29.64 3dkb h GLN 5008CO 0.39 0.00 -0.70 0.00 -2.65 0.00 0.00 178.83 175.87 3dkb s ALA 5009N -3.29 0.84 0.37 3.38 0.00 -1.26 -4.17 121.76 117.63 3dkb s ALA 5009Ca 0.06 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 50.85 3dkb s ALA 5009Cb 0.09 0.16 0.73 0.00 0.00 0.00 0.00 23.12 24.10 3dkb s ALA 5009CO 0.57 -0.23 1.92 -0.07 0.00 0.00 0.00 175.76 177.96 3dkb h LEU 5010N 3.21 0.35 -0.10 0.00 3.38 -1.88 -3.01 115.31 117.26 3dkb h LEU 5010Ca -0.35 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3dkb h LEU 5010Cb 1.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3dkb h LEU 5010CO 0.62 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.59 3dkb n TYR 5011N -4.30 0.29 0.22 1.13 -0.00 -1.25 -3.17 117.16 110.08 3dkb n TYR 5011Ca 0.00 0.10 0.11 0.00 -0.00 0.00 0.00 57.90 58.12 3dkb n TYR 5011Cb 0.23 -0.66 0.36 0.00 -0.00 0.00 0.00 39.34 39.27 3dkb n TYR 5011CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3dkb h LEU 5012N 0.00 0.00 -1.43 -3.48 3.38 -1.90 -3.02 115.31 108.86 3dkb h LEU 5012Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkb h LEU 5012Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3dkb h LEU 5012CO 0.00 0.14 0.00 0.28 0.09 0.00 0.00 178.44 178.95 3dkb h SER 5013N 0.00 0.00 -0.59 -0.43 0.02 -1.72 -3.33 113.55 107.50 3dkb h SER 5013Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3dkb h SER 5013Cb 0.87 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.24 3dkb h SER 5013CO 0.02 0.00 -0.30 0.21 -1.14 0.00 0.00 176.83 175.62 3dkb s ASN 5014N -4.27 -0.86 0.57 3.07 3.84 -1.15 -4.81 114.94 111.31 3dkb s ASN 5014Ca -0.01 -0.92 0.32 0.00 0.21 0.00 0.00 52.86 52.46 3dkb s ASN 5014Cb 0.08 1.12 1.72 0.00 -0.55 0.00 0.00 41.25 43.62 3dkb s ASN 5014CO 0.28 -0.04 2.17 0.24 -2.79 0.00 0.00 177.10 176.96 3dkb h MET 5015N 4.88 0.00 -0.02 0.43 2.86 -1.65 -2.19 114.93 119.24 3dkb h MET 5015Ca 0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3dkb h MET 5015Cb 1.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 3dkb h MET 5015CO -0.04 0.06 0.00 -0.09 1.06 0.00 0.00 176.91 177.90 3dkb h ARG 5016N 0.00 0.03 -0.86 1.72 1.12 -1.95 -1.83 114.38 112.61 3dkb h ARG 5016Ca -0.00 -0.01 0.02 0.00 -1.11 0.00 0.00 59.98 58.88 3dkb h ARG 5016Cb 0.20 -0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.11 3dkb h ARG 5016CO 0.01 0.28 0.57 -0.22 -3.11 0.00 0.00 179.97 177.49 3dkb h LYS 5017N -0.22 1.11 -0.71 0.20 3.64 -1.80 -1.26 116.57 117.53 3dkb h LYS 5017Ca 0.01 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3dkb h LYS 5017Cb 0.26 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 3dkb h LYS 5017CO 0.00 0.73 0.46 0.00 -2.27 0.00 0.00 179.45 178.38 3dkb h ALA 5018N 1.33 1.67 -0.21 5.00 0.00 -1.20 -0.08 119.26 125.77 3dkb h ALA 5018Ca 0.32 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3dkb h ALA 5018Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3dkb h ALA 5018CO -0.08 0.24 -0.37 0.28 0.00 0.00 0.00 179.25 179.31 3dkb h VAL 5019N 0.78 1.30 -0.50 0.00 2.07 -0.38 -1.09 116.25 118.43 3dkb h VAL 5019Ca 0.30 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 3dkb h VAL 5019Cb 0.18 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3dkb h VAL 5019CO -0.09 0.47 0.22 0.50 0.02 0.00 0.00 177.57 178.68 3dkb h LYS 5020N 0.40 0.74 0.37 1.57 3.64 -0.51 -0.69 116.57 122.08 3dkb h LYS 5020Ca 0.04 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3dkb h LYS 5020Cb 0.84 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3dkb h LYS 5020CO 0.07 0.64 -0.18 0.82 -2.27 0.00 0.00 179.45 178.53 3dkb h ILE 5021N 0.67 0.65 0.00 2.00 2.04 -1.15 -1.81 117.51 119.91 3dkb h ILE 5021Ca 0.17 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3dkb h ILE 5021Cb 0.16 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3dkb h ILE 5021CO -0.02 0.01 0.00 0.54 0.00 0.00 0.00 178.15 178.69 3dkb n ARG 5022N -5.29 0.10 -0.02 2.37 1.74 -0.43 -2.18 116.66 112.96 3dkb n ARG 5022Ca -0.11 0.23 -0.22 0.00 -0.77 0.00 0.00 57.85 56.99 3dkb n ARG 5022Cb 0.22 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.03 3dkb n ARG 5022CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3dkb n GLU 5023N -1.38 0.72 0.11 5.56 1.02 -0.28 -4.24 120.64 122.16 3dkb n GLU 5023Ca 0.04 0.32 -0.02 0.00 -0.02 0.00 0.00 57.16 57.48 3dkb n GLU 5023Cb 0.11 -1.71 0.22 0.00 -0.02 0.00 0.00 31.44 30.04 3dkb n GLU 5023CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dkb h ARG 5024N -0.13 0.19 -0.06 3.49 3.08 -0.86 -3.36 114.38 116.73 3dkb h ARG 5024Ca -0.41 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 59.56 3dkb h ARG 5024Cb 1.90 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.89 3dkb h ARG 5024CO 0.03 0.60 -0.52 1.15 -1.07 0.00 0.00 179.97 180.16 3dkb h THR 5025N 0.16 0.00 0.00 2.04 2.02 -1.61 -2.00 112.91 113.52 3dkb h THR 5025Ca 0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3dkb h THR 5025Cb 0.85 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3dkb h THR 5025CO 0.07 0.00 -0.17 1.55 0.37 0.00 0.00 175.52 177.34 3dkb h PRO 5026N -0.61 0.00 0.00 6.66 0.13 -1.78 -1.90 132.00 134.50 3dkb h PRO 5026Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3dkb h PRO 5026Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3dkb h PRO 5026CO -0.38 0.17 0.00 0.93 -0.23 0.00 0.00 178.00 178.49 3dkb h GLU 5027N 0.00 0.00 -0.07 0.86 3.07 -1.63 -2.88 114.58 113.93 3dkb h GLU 5027Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dkb h GLU 5027Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3dkb h GLU 5027CO 0.02 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.16 3dkb n ASP 5028N -2.32 1.90 -4.67 1.42 2.03 -0.72 -4.86 116.55 109.33 3dkb n ASP 5028Ca 0.04 -1.66 -0.40 0.00 0.52 0.00 0.00 54.79 53.29 3dkb n ASP 5028Cb 0.38 -0.04 -0.05 0.00 -0.72 0.00 0.00 41.12 40.69 3dkb n ASP 5028CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3dkb s ILE 5029N -1.93 4.99 -0.28 5.18 1.01 -1.09 -1.18 121.20 127.91 3dkb s ILE 5029Ca 0.35 1.32 -0.21 0.00 0.00 0.00 0.00 60.65 62.11 3dkb s ILE 5029Cb 0.20 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 3dkb s ILE 5029CO 0.31 0.10 0.65 0.12 0.00 0.00 0.00 174.94 176.13 3dkb s PHE 5030N 1.87 3.25 -0.85 3.97 2.19 0.66 -4.95 117.98 124.13 3dkb s PHE 5030Ca 0.32 0.75 0.01 0.00 0.33 0.00 0.00 56.93 58.34 3dkb s PHE 5030Cb -0.16 -2.93 0.33 0.00 -1.31 0.00 0.00 43.02 38.95 3dkb s PHE 5030CO 0.11 -0.40 1.51 1.63 1.83 0.00 0.00 175.22 179.91 3dkb n LYS 5031N 5.83 4.53 -1.52 10.12 4.76 -1.26 -1.80 118.16 138.82 3dkb n LYS 5031Ca -0.00 -4.69 -0.50 0.00 -2.87 0.00 0.00 58.31 50.25 3dkb n LYS 5031Cb 0.49 -2.38 -0.06 0.00 -1.84 0.00 0.00 35.03 31.24 3dkb n LYS 5031CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3dkb n PRO 5032N -0.16 1.36 -0.17 1.97 -0.04 -1.26 -4.77 135.00 131.94 3dkb n PRO 5032Ca 0.41 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 64.32 3dkb n PRO 5032Cb 0.31 -2.55 0.12 0.00 -0.04 0.00 0.00 33.50 31.34 3dkb n PRO 5032CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3dkb n THR 5033N 6.72 0.47 0.03 0.52 -2.24 -1.26 -4.17 114.28 114.34 3dkb n THR 5033Ca 0.36 -0.37 -0.01 0.00 -2.27 0.00 0.00 64.05 61.75 3dkb n THR 5033Cb 0.26 0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 3dkb n THR 5033CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3dkb h ASN 5034N 1.49 -0.07 0.00 3.42 -1.24 -1.91 -3.49 115.58 113.78 3dkb h ASN 5034Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3dkb h ASN 5034Cb 0.48 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.54 3dkb h ASN 5034CO 0.03 0.03 0.00 0.61 -1.29 0.00 0.00 177.43 176.81 3dkb n GLY 5035N 1.08 0.03 3.77 1.57 0.00 -1.26 -5.03 105.19 105.36 3dkb n GLY 5035Ca -0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 3dkb n GLY 5035CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dkb s ILE 5036N -1.23 3.15 0.77 -0.61 1.10 -1.26 -3.19 121.20 119.92 3dkb s ILE 5036Ca 0.00 0.55 -0.13 0.00 -0.51 0.00 0.00 60.65 60.56 3dkb s ILE 5036Cb 0.00 -3.08 0.06 0.00 0.15 0.00 0.00 42.46 39.59 3dkb s ILE 5036CO 0.00 -0.32 1.16 0.27 -2.11 0.00 0.00 174.94 173.95 3dkb s ILE 5037N -2.26 2.52 0.36 2.00 -4.36 -1.26 -4.62 121.20 113.58 3dkb s ILE 5037Ca 0.68 0.22 -0.27 0.00 -0.26 0.00 0.00 60.65 61.02 3dkb s ILE 5037Cb -0.22 -2.64 -0.09 0.00 1.25 0.00 0.00 42.46 40.76 3dkb s ILE 5037CO 0.41 -0.17 1.25 -1.00 0.24 0.00 0.00 174.94 175.67 3dkb s HIS 5038N -2.32 3.06 0.08 1.37 3.76 -1.26 -4.72 115.29 115.27 3dkb s HIS 5038Ca 0.70 1.48 -0.15 0.00 -0.15 0.00 0.00 55.06 56.93 3dkb s HIS 5038Cb -0.25 -3.57 0.03 0.00 1.11 0.00 0.00 32.58 29.89 3dkb s HIS 5038CO 0.49 -1.65 0.35 -3.38 -0.85 0.00 0.00 174.74 169.70 3dkb s HIS 5039N -1.22 -0.14 0.47 1.40 -3.43 -0.74 -4.41 115.29 107.21 3dkb s HIS 5039Ca 0.52 -0.08 -0.19 0.00 -0.80 0.00 0.00 55.06 54.51 3dkb s HIS 5039Cb -0.37 0.16 -0.09 0.00 -1.43 0.00 0.00 32.58 30.85 3dkb s HIS 5039CO 0.48 -0.60 0.98 -0.06 -2.00 0.00 0.00 174.74 173.54 3dkb s PHE 5040N -3.16 3.29 -0.12 0.38 0.40 -0.93 -0.24 117.98 117.59 3dkb s PHE 5040Ca -0.01 1.56 0.12 0.00 -0.60 0.00 0.00 56.93 58.00 3dkb s PHE 5040Cb 0.01 -2.87 -0.24 0.00 0.51 0.00 0.00 43.02 40.43 3dkb s PHE 5040CO -0.07 -0.35 0.38 1.63 0.70 0.00 0.00 175.22 177.51 3dkb n LYS 5041N -1.04 0.67 0.00 0.44 4.01 -0.32 -4.86 118.16 117.06 3dkb n LYS 5041Ca 0.07 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 3dkb n LYS 5041Cb 0.54 -1.68 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 3dkb n LYS 5041CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3dkb n THR 5042N -3.01 0.00 0.28 -0.18 -2.24 -1.26 -4.93 114.28 102.95 3dkb n THR 5042Ca -0.26 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.68 3dkb n THR 5042Cb 1.08 0.00 0.79 0.00 -2.10 0.00 0.00 70.33 70.10 3dkb n THR 5042CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3dkb h MET 5043N 0.00 0.00 0.00 -0.78 2.86 -1.90 -2.54 114.93 112.58 3dkb h MET 5043Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dkb h MET 5043Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dkb h MET 5043CO 0.00 0.07 0.00 -2.39 1.06 0.00 0.00 176.91 175.65 3dkb n HIS 5044N -3.34 0.19 1.50 -0.22 1.44 -1.26 -1.87 115.22 111.67 3dkb n HIS 5044Ca -0.01 0.08 0.14 0.00 -2.01 0.00 0.00 57.72 55.92 3dkb n HIS 5044Cb 0.24 -0.62 0.55 0.00 0.12 0.00 0.00 29.99 30.28 3dkb n HIS 5044CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3dkb n ARG 5045N -1.67 1.36 -2.89 -1.40 1.74 -0.95 -4.90 116.66 107.95 3dkb n ARG 5045Ca 0.03 -0.72 -0.35 0.00 -0.77 0.00 0.00 57.85 56.04 3dkb n ARG 5045Cb 0.17 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 3dkb n ARG 5045CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dkb s TYR 5046N -2.13 3.55 -0.08 -1.55 4.12 -0.78 -4.96 117.35 115.53 3dkb s TYR 5046Ca 0.36 1.61 -0.06 0.00 0.02 0.00 0.00 57.07 59.00 3dkb s TYR 5046Cb 0.21 -2.81 0.03 0.00 -1.52 0.00 0.00 41.96 37.86 3dkb s TYR 5046CO 0.38 0.14 0.19 0.99 0.02 0.00 0.00 175.55 177.27 3dkb s THR 5047N -1.78 -0.01 0.18 -0.71 2.01 -1.24 -4.37 115.64 109.72 3dkb s THR 5047Ca 0.52 0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.68 3dkb s THR 5047Cb -0.15 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 3dkb s THR 5047CO 0.20 0.02 -0.16 -1.48 -0.69 0.00 0.00 174.62 172.51 3dkb s LEU 5048N 0.47 2.74 0.01 4.42 0.05 -0.95 -1.04 118.68 124.38 3dkb s LEU 5048Ca -0.03 -0.69 0.02 0.00 0.05 0.00 0.00 54.13 53.48 3dkb s LEU 5048Cb -0.05 -1.46 -0.01 0.00 -2.05 0.00 0.00 46.19 42.63 3dkb s LEU 5048CO -0.02 0.12 -0.08 -1.61 -0.55 0.00 0.00 176.35 174.21 3dkb s GLU 5049N -2.72 0.57 0.58 1.48 2.02 -1.26 -4.54 118.70 114.82 3dkb s GLU 5049Ca 0.23 -0.38 -0.17 0.00 0.02 0.00 0.00 54.97 54.66 3dkb s GLU 5049Cb -0.09 -0.52 -0.04 0.00 0.10 0.00 0.00 34.13 33.59 3dkb s GLU 5049CO 0.13 0.13 1.07 1.41 0.02 0.00 0.00 175.26 178.02 3dkb s MET 5050N -0.51 3.33 0.54 1.61 1.75 -0.88 -4.78 119.30 120.35 3dkb s MET 5050Ca 0.00 1.34 -0.08 0.00 -1.25 0.00 0.00 55.69 55.69 3dkb s MET 5050Cb -0.04 -2.03 -0.04 0.00 2.84 0.00 0.00 34.83 35.56 3dkb s MET 5050CO 0.00 -0.82 0.90 -0.59 -0.65 0.00 0.00 175.02 173.86 3dkb s PHE 5051N -2.23 3.59 -0.10 4.11 -0.12 -1.26 -0.53 117.98 121.44 3dkb s PHE 5051Ca 0.66 1.05 -0.29 0.00 -0.05 0.00 0.00 56.93 58.31 3dkb s PHE 5051Cb -0.18 -2.51 -0.01 0.00 -0.63 0.00 0.00 43.02 39.69 3dkb s PHE 5051CO 0.33 -0.46 0.98 1.03 -0.05 0.00 0.00 175.22 177.05 3dkb s ARG 5052N -4.88 4.42 -0.00 1.99 0.52 -1.26 -4.75 118.95 115.00 3dkb s ARG 5052Ca 0.51 1.35 0.20 0.00 -0.52 0.00 0.00 55.73 57.28 3dkb s ARG 5052Cb -0.11 -3.54 -0.23 0.00 0.52 0.00 0.00 34.95 31.60 3dkb s ARG 5052CO 0.48 -0.29 0.85 0.25 0.02 0.00 0.00 175.30 176.61 3dkb n THR 5053N 4.50 0.00 0.86 0.02 -2.24 -1.26 -4.28 114.28 111.88 3dkb n THR 5053Ca 0.08 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3dkb n THR 5053Cb 0.49 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 3dkb n THR 5053CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dkb n GLN 5055N -0.46 1.80 -4.37 0.00 1.13 -1.26 -4.99 117.38 109.23 3dkb n GLN 5055Ca 0.00 -1.72 -0.24 0.00 -1.94 0.00 0.00 57.00 53.11 3dkb n GLN 5055Cb 0.01 -1.30 -0.08 0.00 0.11 0.00 0.00 30.24 28.97 3dkb n GLN 5055CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3dkb s PHE 5056N -1.08 2.52 0.56 1.08 2.99 -0.42 -5.10 117.98 118.53 3dkb s PHE 5056Ca 0.22 -0.27 -0.21 0.00 0.00 0.00 0.00 56.93 56.67 3dkb s PHE 5056Cb 0.13 -1.11 -0.05 0.00 0.00 0.00 0.00 43.02 41.99 3dkb s PHE 5056CO 0.18 0.66 1.18 0.00 -0.00 0.00 0.00 175.22 177.24 3dkb h PRO 5058N 1.06 -0.42 -0.81 0.00 0.11 -1.98 0.41 132.00 130.37 3dkb h PRO 5058Ca -0.49 0.03 0.19 0.00 0.11 0.00 0.00 66.00 65.84 3dkb h PRO 5058Cb 1.33 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.49 3dkb h PRO 5058CO 0.55 -0.28 0.55 1.96 -0.21 0.00 0.00 178.00 180.56 3dkb h GLN 5059N -0.44 0.29 0.17 1.05 7.50 -2.01 -1.39 115.11 120.28 3dkb h GLN 5059Ca 0.08 -0.02 -0.29 0.00 0.50 0.00 0.00 58.65 58.92 3dkb h GLN 5059Cb 0.57 -0.06 0.01 0.00 0.05 0.00 0.00 27.48 28.05 3dkb h GLN 5059CO -0.33 0.19 -1.40 0.35 -1.50 0.00 0.00 178.83 176.14 3dkb h PHE 5060N 0.29 0.66 -0.93 2.96 -0.00 -1.72 -3.20 116.94 114.99 3dkb h PHE 5060Ca 0.40 -0.48 0.20 0.00 -0.00 0.00 0.00 57.97 58.10 3dkb h PHE 5060Cb 1.14 -0.03 -0.11 0.00 -0.00 0.00 0.00 35.95 36.95 3dkb h PHE 5060CO -0.00 1.54 0.50 -0.09 -0.00 0.00 0.00 178.31 180.26 3dkb h ARG 5061N -0.11 0.55 -0.12 1.11 2.43 0.82 0.27 114.38 119.34 3dkb h ARG 5061Ca -0.27 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.75 3dkb h ARG 5061Cb 1.92 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.33 3dkb h ARG 5061CO 0.16 0.37 -0.44 1.49 -1.51 0.00 0.00 179.97 180.04 3dkb h GLU 5062N 0.57 0.29 -0.80 0.20 4.22 -1.41 -2.47 114.58 115.18 3dkb h GLU 5062Ca 0.56 -0.15 0.02 0.00 0.08 0.00 0.00 59.36 59.87 3dkb h GLU 5062Cb 0.98 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 3dkb h GLU 5062CO -0.45 0.68 0.52 0.82 -2.18 0.00 0.00 179.01 178.40 3dkb h ILE 5063N 0.24 1.18 0.62 2.32 2.04 -0.47 -0.15 117.51 123.29 3dkb h ILE 5063Ca 0.02 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3dkb h ILE 5063Cb 0.87 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3dkb h ILE 5063CO 0.07 0.19 -0.30 0.40 0.00 0.00 0.00 178.15 178.52 3dkb h ILE 5064N 1.05 0.26 -0.73 -0.67 2.04 -1.29 -2.94 117.51 115.24 3dkb h ILE 5064Ca 0.30 -0.30 0.13 0.00 1.00 0.00 0.00 64.86 66.00 3dkb h ILE 5064Cb -0.09 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 36.24 3dkb h ILE 5064CO -0.08 0.03 0.28 0.45 0.00 0.00 0.00 178.15 178.83 3dkb h HIS 5065N -1.06 0.47 -0.43 1.37 3.86 -1.28 0.56 115.15 118.65 3dkb h HIS 5065Ca -0.08 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3dkb h HIS 5065Cb 0.68 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 3dkb h HIS 5065CO 0.00 0.06 0.22 -0.22 0.86 0.00 0.00 177.93 178.85 3dkb h LYS 5066N 0.43 0.59 0.11 2.45 1.63 -1.05 -2.28 116.57 118.45 3dkb h LYS 5066Ca 0.39 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.13 3dkb h LYS 5066Cb 0.58 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 3dkb h LYS 5066CO -0.39 0.44 -0.05 0.00 -3.45 0.00 0.00 179.45 176.00 3dkb h ALA 5067N 1.65 -0.15 0.05 5.00 0.00 -0.74 -3.41 119.26 121.66 3dkb h ALA 5067Ca 0.15 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.55 3dkb h ALA 5067Cb 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3dkb h ALA 5067CO -0.02 -0.19 -1.59 -0.07 0.00 0.00 0.00 179.25 177.38 3dkb h LEU 5068N -0.94 0.16 -9.70 0.00 3.38 -1.34 -3.42 115.31 103.45 3dkb h LEU 5068Ca -0.02 -0.27 -0.56 0.00 0.09 0.00 0.00 57.88 57.13 3dkb h LEU 5068Cb 0.49 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3dkb h LEU 5068CO 0.03 1.24 0.05 -0.63 0.09 0.00 0.00 178.44 179.21 3dkb s ILE 5069N -2.62 4.61 -1.05 1.22 1.01 -0.86 -1.33 121.20 122.19 3dkb s ILE 5069Ca -0.07 1.41 -0.20 0.00 0.00 0.00 0.00 60.65 61.79 3dkb s ILE 5069Cb 0.08 -3.99 0.10 0.00 0.01 0.00 0.00 42.46 38.65 3dkb s ILE 5069CO 0.82 0.53 1.38 -0.62 0.00 0.00 0.00 174.94 177.05 3dkb s ASP 5070N -1.05 6.66 0.41 3.58 -1.08 -0.24 -4.71 116.67 120.24 3dkb s ASP 5070Ca 0.32 -1.98 0.07 0.00 -0.52 0.00 0.00 52.55 50.44 3dkb s ASP 5070Cb -0.21 -2.49 0.87 0.00 -1.46 0.00 0.00 42.92 39.63 3dkb s ASP 5070CO 0.22 -1.22 2.05 0.03 0.52 0.00 0.00 175.17 176.77 3dkb h ARG 5071N 8.84 0.54 0.72 4.34 3.08 -1.88 -2.03 114.38 127.98 3dkb h ARG 5071Ca 0.23 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3dkb h ARG 5071Cb 0.98 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3dkb h ARG 5071CO 1.30 0.36 -0.37 -0.91 -1.07 0.00 0.00 179.97 179.28 3dkb h ASN 5072N 0.55 -0.88 -0.44 7.04 2.35 -1.99 -0.69 115.58 121.52 3dkb h ASN 5072Ca 0.16 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 3dkb h ASN 5072Cb -0.02 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3dkb h ASN 5072CO -0.04 -0.61 -0.00 0.40 -1.65 0.00 0.00 177.43 175.54 3dkb h ILE 5073N -0.99 1.25 0.46 2.81 5.03 -1.97 -1.20 117.51 122.90 3dkb h ILE 5073Ca -0.10 -1.04 -0.01 0.00 -0.12 0.00 0.00 64.86 63.59 3dkb h ILE 5073Cb 0.77 0.86 -0.01 0.00 -3.03 0.00 0.00 36.82 35.41 3dkb h ILE 5073CO 0.15 0.37 -0.31 1.56 -0.68 0.00 0.00 178.15 179.24 3dkb h GLN 5074N 0.79 -0.71 0.03 2.37 1.08 -1.27 -0.49 115.11 116.90 3dkb h GLN 5074Ca 0.15 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.42 3dkb h GLN 5074Cb 0.48 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 3dkb h GLN 5074CO 0.02 -0.48 -0.19 0.00 -0.95 0.00 0.00 178.83 177.24 3dkb h ALA 5075N -0.27 -0.26 -0.13 3.87 0.00 -1.04 -0.91 119.26 120.52 3dkb h ALA 5075Ca -0.05 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3dkb h ALA 5075Cb 0.62 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3dkb h ALA 5075CO 0.04 -0.69 -0.47 1.15 0.00 0.00 0.00 179.25 179.28 3dkb h THR 5076N -0.32 0.00 -0.09 0.00 2.02 -1.07 0.31 112.91 113.76 3dkb h THR 5076Ca 0.05 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 3dkb h THR 5076Cb 0.38 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3dkb h THR 5076CO -0.16 0.00 -0.20 -0.07 0.37 0.00 0.00 175.52 175.46 3dkb h LEU 5077N -0.49 0.15 0.09 2.58 3.38 -1.03 -2.86 115.31 117.13 3dkb h LEU 5077Ca 0.03 -0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 3dkb h LEU 5077Cb 0.58 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.31 3dkb h LEU 5077CO -0.38 0.36 -1.22 -0.33 0.09 0.00 0.00 178.44 176.96 3dkb h GLU 5078N 0.14 0.58 -0.32 1.13 5.08 -0.86 0.43 114.58 120.77 3dkb h GLU 5078Ca 0.03 -0.77 0.02 0.00 -1.00 0.00 0.00 59.36 57.64 3dkb h GLU 5078Cb 0.44 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3dkb h GLU 5078CO 0.03 1.34 0.21 0.77 -1.00 0.00 0.00 179.01 180.37 3dkb h SER 5079N 0.26 0.29 -0.58 1.42 0.02 -0.20 0.05 113.55 114.81 3dkb h SER 5079Ca -0.18 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.65 3dkb h SER 5079Cb 1.90 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 64.29 3dkb h SER 5079CO 0.23 0.21 0.16 0.00 -1.14 0.00 0.00 176.83 176.28 3dkb n GLN 5080N -4.49 3.65 -3.03 3.45 10.64 -1.10 -4.90 117.38 121.60 3dkb n GLN 5080Ca 0.02 -2.61 -0.17 0.00 -1.83 0.00 0.00 57.00 52.41 3dkb n GLN 5080Cb 0.14 -2.10 -0.01 0.00 -0.86 0.00 0.00 30.24 27.40 3dkb n GLN 5080CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3dkb n LYS 5081N 0.12 -2.83 0.03 2.61 5.02 0.00 -4.81 118.16 118.31 3dkb n LYS 5081Ca 0.31 0.40 0.11 0.00 -2.02 0.00 0.00 58.31 57.11 3dkb n LYS 5081Cb 1.17 -5.03 -0.04 0.00 -0.02 0.00 0.00 35.03 31.12 3dkb n LYS 5081CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3dkb n LYS 5082N -3.27 0.41 -4.25 1.97 3.00 -0.03 -4.55 118.16 111.43 3dkb n LYS 5082Ca -0.04 -0.03 -0.17 0.00 -0.00 0.00 0.00 58.31 58.07 3dkb n LYS 5082Cb 0.55 -1.61 -0.13 0.00 0.00 0.00 0.00 35.03 33.84 3dkb n LYS 5082CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3dkb s LEU 5083N -4.23 2.11 -0.71 3.14 2.96 -0.19 -4.82 118.68 116.94 3dkb s LEU 5083Ca 0.01 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3dkb s LEU 5083Cb 0.14 -0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.43 3dkb s LEU 5083CO 0.83 0.01 0.00 0.59 -1.32 0.00 0.00 176.35 176.46 3dkb n ASN 5084N 2.29 -2.65 0.07 3.68 3.02 -1.26 -4.40 115.26 116.01 3dkb n ASN 5084Ca -0.17 0.28 -0.12 0.00 -0.03 0.00 0.00 54.58 54.54 3dkb n ASN 5084Cb 0.56 -2.39 -0.03 0.00 -0.61 0.00 0.00 39.78 37.31 3dkb n ASN 5084CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3dkb h TRP 5085N 0.00 0.56 -2.96 3.10 5.08 -1.88 -3.44 115.95 116.41 3dkb h TRP 5085Ca -0.18 -0.30 -0.54 0.00 1.08 0.00 0.00 58.89 58.95 3dkb h TRP 5085Cb 0.98 -0.07 -0.00 0.00 -3.00 0.00 0.00 29.16 27.07 3dkb h TRP 5085CO 0.63 1.11 0.79 0.00 -1.28 0.00 0.00 178.44 179.69 3dkb n ARG 5087N 5.17 0.70 0.00 0.00 1.74 -1.26 -3.92 116.66 119.09 3dkb n ARG 5087Ca 0.12 -0.35 0.11 0.00 -0.77 0.00 0.00 57.85 56.96 3dkb n ARG 5087Cb 0.44 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3dkb n ARG 5087CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3dkb n GLU 5088N -0.84 0.36 -4.38 5.56 -0.58 -1.26 -4.96 120.64 114.53 3dkb n GLU 5088Ca 0.12 -0.28 -0.24 0.00 -0.42 0.00 0.00 57.16 56.34 3dkb n GLU 5088Cb 0.32 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.61 3dkb n GLU 5088CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3dkb s VAL 5089N -2.84 2.85 0.73 2.62 -7.23 -1.25 -2.97 120.40 112.30 3dkb s VAL 5089Ca 0.12 -2.11 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 3dkb s VAL 5089Cb 0.17 -2.63 0.04 0.00 0.56 0.00 0.00 36.38 34.51 3dkb s VAL 5089CO 0.74 -0.33 1.20 -0.13 -0.31 0.00 0.00 175.10 176.27 3dkb s ARG 5090N -3.63 2.18 0.31 4.82 0.52 0.13 -4.80 118.95 118.48 3dkb s ARG 5090Ca 0.32 1.73 -0.21 0.00 -0.52 0.00 0.00 55.73 57.05 3dkb s ARG 5090Cb -0.04 -1.84 -0.09 0.00 0.52 0.00 0.00 34.95 33.50 3dkb s ARG 5090CO 0.18 -1.80 0.83 0.21 0.02 0.00 0.00 175.30 174.74 3dkb s LYS 5091N -3.93 4.29 0.05 3.54 2.20 -1.26 -4.87 119.74 119.75 3dkb s LYS 5091Ca 0.74 1.00 0.05 0.00 -0.36 0.00 0.00 55.97 57.39 3dkb s LYS 5091Cb -0.28 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 3dkb s LYS 5091CO 0.45 0.24 -0.08 -0.51 -0.36 0.00 0.00 175.35 175.10 3dkb s LEU 5092N -2.42 3.13 0.03 5.43 1.43 -1.26 -1.93 118.68 123.10 3dkb s LEU 5092Ca 0.51 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 3dkb s LEU 5092Cb -0.14 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3dkb s LEU 5092CO 0.20 0.24 -0.17 0.54 0.23 0.00 0.00 176.35 177.38 3dkb s VAL 5093N -1.10 1.37 -0.27 -1.59 0.11 0.13 -4.91 120.40 114.15 3dkb s VAL 5093Ca 0.19 -1.03 -0.18 0.00 -2.93 0.00 0.00 61.98 58.03 3dkb s VAL 5093Cb -0.11 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.51 3dkb s VAL 5093CO 0.11 0.15 0.50 0.00 -3.33 0.00 0.00 175.10 172.53 3dkb s ALA 5094N -0.75 3.58 0.05 1.54 0.00 -1.25 -1.54 121.76 123.38 3dkb s ALA 5094Ca 0.05 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.13 3dkb s ALA 5094Cb -0.08 -2.89 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 3dkb s ALA 5094CO 0.01 -0.79 0.64 -0.51 0.00 0.00 0.00 175.76 175.12 3dkb s LEU 5095N 2.31 4.48 0.40 0.00 1.43 -1.05 -1.08 118.68 125.16 3dkb s LEU 5095Ca 0.20 1.31 -0.26 0.00 -1.03 0.00 0.00 54.13 54.35 3dkb s LEU 5095Cb -0.16 -3.02 -0.11 0.00 0.03 0.00 0.00 46.19 42.94 3dkb s LEU 5095CO 0.10 0.15 1.28 0.29 0.23 0.00 0.00 176.35 178.39 3dkb n LYS 5096N 2.32 2.00 -3.81 1.70 5.02 -0.44 -4.13 118.16 120.82 3dkb n LYS 5096Ca -0.07 0.71 -0.13 0.00 -2.02 0.00 0.00 58.31 56.80 3dkb n LYS 5096Cb 0.50 -2.37 -0.14 0.00 -0.02 0.00 0.00 35.03 33.01 3dkb n LYS 5096CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3dkb s THR 5097N -1.17 -0.02 0.04 -0.18 -4.23 -1.26 -4.95 115.64 103.87 3dkb s THR 5097Ca 0.59 0.06 -0.34 0.00 -1.18 0.00 0.00 61.69 60.83 3dkb s THR 5097Cb -0.52 -0.17 -0.13 0.00 1.34 0.00 0.00 72.50 73.02 3dkb s THR 5097CO 0.59 0.03 1.75 0.59 -0.54 0.00 0.00 174.62 177.04 3dkb n ASN 5098N 3.41 3.35 -3.58 3.99 5.03 -1.26 -4.89 115.26 121.31 3dkb n ASN 5098Ca -0.17 1.02 -0.41 0.00 0.87 0.00 0.00 54.58 55.89 3dkb n ASN 5098Cb 0.57 -1.41 0.01 0.00 -1.02 0.00 0.00 39.78 37.93 3dkb n ASN 5098CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dkb n GLY 5099N 3.96 5.86 1.41 7.41 0.00 -1.26 -3.90 105.19 118.68 3dkb n GLY 5099Ca 0.20 -2.42 0.07 0.00 0.00 0.00 0.00 46.02 43.87 3dkb n GLY 5099CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dkb n ASP 5100N 0.47 4.16 0.00 1.61 3.85 -1.26 -4.87 116.55 120.51 3dkb n ASP 5100Ca 0.52 -2.46 0.00 0.00 -0.71 0.00 0.00 54.79 52.13 3dkb n ASP 5100Cb 0.26 -0.55 0.00 0.00 -1.35 0.00 0.00 41.12 39.47 3dkb n ASP 5100CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dkb n GLY 5101N 0.85 0.74 0.07 6.12 0.00 -1.26 -0.79 105.19 110.91 3dkb n GLY 5101Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 3dkb n GLY 5101CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dkb n ASN 5102N 0.00 2.32 0.30 1.61 5.15 -1.26 -4.18 115.26 119.21 3dkb n ASN 5102Ca 0.00 -3.07 0.16 0.00 -0.60 0.00 0.00 54.58 51.07 3dkb n ASN 5102Cb 0.00 -0.42 0.95 0.00 -0.53 0.00 0.00 39.78 39.78 3dkb n ASN 5102CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dkb h LEU 5104N 0.00 1.00 -0.22 0.00 5.85 -1.87 0.24 115.31 120.32 3dkb h LEU 5104Ca -0.00 -0.31 -0.22 0.00 0.84 0.00 0.00 57.88 58.19 3dkb h LEU 5104Cb 0.01 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.77 3dkb h LEU 5104CO 0.00 1.07 -0.86 0.24 -0.34 0.00 0.00 178.44 178.55 3dkb h MET 5105N 0.91 0.49 -0.42 1.25 2.86 -1.76 -1.07 114.93 117.19 3dkb h MET 5105Ca 0.16 -0.47 -0.10 0.00 -2.06 0.00 0.00 59.70 57.23 3dkb h MET 5105Cb 0.57 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3dkb h MET 5105CO 0.03 1.11 -0.13 0.45 1.06 0.00 0.00 176.91 179.43 3dkb h HIS 5106N 0.31 0.94 0.35 -0.22 3.86 -1.16 0.15 115.15 119.36 3dkb h HIS 5106Ca -0.07 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 58.91 3dkb h HIS 5106Cb 1.48 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.73 3dkb h HIS 5106CO 0.06 0.96 -0.17 0.00 0.86 0.00 0.00 177.93 179.65 3dkb h ALA 5107N 0.84 -0.46 0.00 2.45 0.00 -0.52 -0.94 119.26 120.63 3dkb h ALA 5107Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dkb h ALA 5107Cb 0.67 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3dkb h ALA 5107CO 0.05 -0.73 -0.04 1.15 0.00 0.00 0.00 179.25 179.68 3dkb h THR 5108N -0.53 0.89 -0.65 0.00 2.02 -1.16 -2.03 112.91 111.45 3dkb h THR 5108Ca -0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.20 3dkb h THR 5108Cb 0.40 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 3dkb h THR 5108CO 0.08 0.00 0.34 -1.28 0.37 0.00 0.00 175.52 175.03 3dkb h SER 5109N -0.08 0.48 -0.41 4.18 0.87 -0.69 -2.37 113.55 115.54 3dkb h SER 5109Ca 0.02 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 3dkb h SER 5109Cb 0.10 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3dkb h SER 5109CO -0.04 0.31 -0.05 1.56 -0.53 0.00 0.00 176.83 178.07 3dkb h GLN 5110N 0.62 0.83 -0.32 2.24 4.20 -0.50 0.12 115.11 122.30 3dkb h GLN 5110Ca 0.30 -0.26 0.07 0.00 0.06 0.00 0.00 58.65 58.82 3dkb h GLN 5110Cb 0.23 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 3dkb h GLN 5110CO -0.21 0.87 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.78 3dkb h TYR 5111N 0.76 -0.27 0.00 2.96 3.20 -0.82 -1.45 116.97 121.35 3dkb h TYR 5111Ca 0.14 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.89 3dkb h TYR 5111Cb 0.53 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 3dkb h TYR 5111CO 0.03 -0.19 -1.57 0.00 -1.64 0.00 0.00 178.16 174.79 3dkb n MET 5112N -5.30 0.63 -0.01 1.82 0.00 -1.18 -2.24 117.12 110.85 3dkb n MET 5112Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 57.70 57.83 3dkb n MET 5112Cb 0.22 -1.73 -0.02 0.00 0.00 0.00 0.00 33.22 31.68 3dkb n MET 5112CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3dkb n TRP 5113N -2.75 0.00 0.00 3.17 8.01 0.41 -3.68 117.44 122.60 3dkb n TRP 5113Ca -0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 3dkb n TRP 5113Cb 0.80 -0.09 0.00 0.00 -2.01 0.00 0.00 31.31 30.01 3dkb n TRP 5113CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dkb n GLY 5114N 2.55 1.39 3.77 6.99 0.00 -0.55 -4.77 105.19 114.57 3dkb n GLY 5114Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3dkb n GLY 5114CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dkb s VAL 5115N -2.32 4.26 0.56 1.61 -7.23 -1.26 -3.87 120.40 112.15 3dkb s VAL 5115Ca 0.00 -1.30 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 3dkb s VAL 5115Cb 0.00 -3.21 0.05 0.00 0.56 0.00 0.00 36.38 33.78 3dkb s VAL 5115CO 0.00 -0.20 0.78 -1.10 -0.31 0.00 0.00 175.10 174.27 3dkb s GLN 5116N -3.34 2.39 -0.29 4.82 -0.21 -1.26 -1.97 119.66 119.80 3dkb s GLN 5116Ca 0.31 -1.04 -0.06 0.00 0.02 0.00 0.00 55.36 54.58 3dkb s GLN 5116Cb -0.09 -2.53 -0.22 0.00 1.00 0.00 0.00 33.01 31.18 3dkb s GLN 5116CO 0.23 -0.80 3.46 -3.47 -2.12 0.00 0.00 175.29 172.59 3dkb n ASP 5117N -2.34 5.89 0.15 5.90 4.64 -1.26 -4.53 116.55 125.00 3dkb n ASP 5117Ca 0.10 -2.55 0.04 0.00 -1.38 0.00 0.00 54.79 51.01 3dkb n ASP 5117Cb 0.60 -1.43 0.47 0.00 -1.04 0.00 0.00 41.12 39.72 3dkb n ASP 5117CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 3dkb h THR 5118N 2.16 1.12 -0.14 5.18 1.35 -1.96 -1.18 112.91 119.43 3dkb h THR 5118Ca 0.31 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3dkb h THR 5118Cb 1.27 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3dkb h THR 5118CO 0.52 0.15 0.00 0.47 -0.25 0.00 0.00 175.52 176.41 3dkb n ASP 5119N -4.38 1.88 -2.37 5.36 10.43 -1.26 -4.93 116.55 121.28 3dkb n ASP 5119Ca -0.01 -1.70 -0.19 0.00 2.57 0.00 0.00 54.79 55.46 3dkb n ASP 5119Cb 0.19 -0.09 -0.01 0.00 1.84 0.00 0.00 41.12 43.05 3dkb n ASP 5119CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3dkb n LEU 5120N 0.46 -1.72 -0.02 0.64 4.77 -0.45 -4.90 117.00 115.79 3dkb n LEU 5120Ca 0.17 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 3dkb n LEU 5120Cb 0.38 -2.73 -0.07 0.00 -2.33 0.00 0.00 43.42 38.67 3dkb n LEU 5120CO 0.14 -0.23 0.78 -0.37 -1.33 0.00 0.00 177.39 176.38 3dkb h VAL 5121N 0.00 1.19 -0.19 4.08 -1.51 -1.92 0.19 116.25 118.08 3dkb h VAL 5121Ca -0.44 -0.58 -0.05 0.00 -1.23 0.00 0.00 66.70 64.40 3dkb h VAL 5121Cb 1.32 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 31.90 3dkb h VAL 5121CO 0.52 0.16 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.90 3dkb h LEU 5122N -0.08 0.38 -1.72 4.19 3.38 -1.91 0.32 115.31 119.87 3dkb h LEU 5122Ca 0.03 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3dkb h LEU 5122Cb 0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3dkb h LEU 5122CO 0.00 0.67 0.23 -0.09 0.09 0.00 0.00 178.44 179.34 3dkb h ARG 5123N 0.09 0.35 0.06 1.13 9.65 -1.91 -1.48 114.38 122.27 3dkb h ARG 5123Ca 0.05 -0.02 -0.27 0.00 -1.10 0.00 0.00 59.98 58.64 3dkb h ARG 5123Cb 0.51 -0.08 0.02 0.00 -1.39 0.00 0.00 29.97 29.03 3dkb h ARG 5123CO 0.02 0.23 -1.11 0.87 2.80 0.00 0.00 179.97 182.78 3dkb h LYS 5124N 0.37 0.56 -0.80 0.20 1.79 -0.33 -3.03 116.57 115.31 3dkb h LYS 5124Ca 0.14 -0.67 -0.02 0.00 -2.18 0.00 0.00 60.65 57.92 3dkb h LYS 5124Cb 0.09 0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 3dkb h LYS 5124CO -0.03 1.28 0.43 0.00 -1.08 0.00 0.00 179.45 180.05 3dkb h ALA 5125N 0.47 1.25 0.26 3.86 0.00 0.01 -0.16 119.26 124.95 3dkb h ALA 5125Ca -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3dkb h ALA 5125Cb 1.77 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3dkb h ALA 5125CO 0.21 0.60 -0.13 1.25 0.00 0.00 0.00 179.25 181.18 3dkb h LEU 5126N 1.12 -0.30 -1.12 0.00 5.85 -1.34 -0.91 115.31 118.62 3dkb h LEU 5126Ca 0.28 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 3dkb h LEU 5126Cb 0.03 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3dkb h LEU 5126CO -0.04 -0.16 0.05 0.15 -0.34 0.00 0.00 178.44 178.10 3dkb h PHE 5127N -0.41 0.70 -0.49 1.25 3.57 -1.39 -1.75 116.94 118.42 3dkb h PHE 5127Ca -0.04 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 3dkb h PHE 5127Cb 0.31 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3dkb h PHE 5127CO -0.04 0.63 0.26 0.77 -2.23 0.00 0.00 178.31 177.70 3dkb h SER 5128N 0.65 0.62 -0.25 0.41 0.02 -0.81 -2.26 113.55 111.94 3dkb h SER 5128Ca 0.14 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3dkb h SER 5128Cb 0.33 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3dkb h SER 5128CO 0.01 0.55 0.13 0.74 -1.14 0.00 0.00 176.83 177.12 3dkb h THR 5129N 0.65 1.12 0.00 -2.27 2.02 -0.81 0.27 112.91 113.89 3dkb h THR 5129Ca 0.17 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3dkb h THR 5129Cb 0.07 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3dkb h THR 5129CO -0.03 0.12 0.00 0.18 0.37 0.00 0.00 175.52 176.16 3dkb n LEU 5130N -4.86 0.00 -0.03 2.58 4.77 -0.69 -2.63 117.00 116.14 3dkb n LEU 5130Ca -0.03 0.39 -0.04 0.00 -0.03 0.00 0.00 56.01 56.30 3dkb n LEU 5130Cb 0.07 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3dkb n LEU 5130CO 0.35 -0.20 -0.70 0.29 -1.33 0.00 0.00 177.39 175.79 3dkb n LYS 5131N -1.39 0.15 -1.12 3.23 4.76 -0.87 -4.80 118.16 118.12 3dkb n LYS 5131Ca 0.05 0.04 -0.09 0.00 -2.87 0.00 0.00 58.31 55.44 3dkb n LYS 5131Cb 0.14 -1.10 0.14 0.00 -1.84 0.00 0.00 35.03 32.38 3dkb n LYS 5131CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3dkb n GLU 5132N -2.72 2.31 -4.12 1.97 1.02 0.90 -5.01 120.64 114.98 3dkb n GLU 5132Ca -0.11 -3.51 -0.10 0.00 -0.02 0.00 0.00 57.16 53.42 3dkb n GLU 5132Cb 0.61 -1.92 -0.09 0.00 -0.02 0.00 0.00 31.44 30.02 3dkb n GLU 5132CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3dkb s THR 5133N -3.73 0.08 -0.32 2.62 2.01 -1.08 -4.86 115.64 110.36 3dkb s THR 5133Ca 0.46 -1.82 -0.26 0.00 0.31 0.00 0.00 61.69 60.38 3dkb s THR 5133Cb 0.40 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.87 3dkb s THR 5133CO -0.01 -0.38 0.94 -0.62 -0.69 0.00 0.00 174.62 173.86 3dkb s ASP 5134N -3.04 6.79 -0.24 3.53 2.15 -1.19 -4.88 116.67 119.78 3dkb s ASP 5134Ca 0.24 0.83 0.12 0.00 0.43 0.00 0.00 52.55 54.17 3dkb s ASP 5134Cb 0.07 -2.48 0.50 0.00 -0.30 0.00 0.00 42.92 40.71 3dkb s ASP 5134CO 0.03 -0.77 1.43 0.35 -0.17 0.00 0.00 175.17 176.04 3dkb n THR 5135N 5.75 2.42 -0.26 1.71 -2.24 -1.26 -4.66 114.28 115.75 3dkb n THR 5135Ca 0.08 -2.41 -0.06 0.00 -2.27 0.00 0.00 64.05 59.39 3dkb n THR 5135Cb 0.48 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.46 3dkb n THR 5135CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3dkb h ARG 5136N 1.21 1.03 -0.22 -0.78 3.08 -1.99 0.48 114.38 117.20 3dkb h ARG 5136Ca 0.13 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 3dkb h ARG 5136Cb 1.55 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 3dkb h ARG 5136CO 0.31 0.81 -0.48 -0.91 -1.07 0.00 0.00 179.97 178.63 3dkb h ASN 5137N 1.00 0.62 0.03 7.04 2.35 -1.99 -1.56 115.58 123.07 3dkb h ASN 5137Ca 0.25 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3dkb h ASN 5137Cb 0.12 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3dkb h ASN 5137CO -0.03 1.00 -0.01 -0.26 -1.65 0.00 0.00 177.43 176.47 3dkb h PHE 5138N 0.46 -0.04 -0.91 1.19 -1.00 -1.75 -1.95 116.94 112.95 3dkb h PHE 5138Ca 0.02 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.86 3dkb h PHE 5138Cb 1.00 0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.52 3dkb h PHE 5138CO 0.04 0.39 0.59 -0.22 -1.61 0.00 0.00 178.31 177.50 3dkb h LYS 5139N -0.48 1.04 0.94 1.51 3.64 -0.05 -0.13 116.57 123.04 3dkb h LYS 5139Ca -0.00 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3dkb h LYS 5139Cb 0.44 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3dkb h LYS 5139CO 0.01 0.69 -0.45 0.35 -2.27 0.00 0.00 179.45 177.77 3dkb h PHE 5140N 1.07 -1.17 -0.16 1.91 3.57 -1.22 -0.68 116.94 120.26 3dkb h PHE 5140Ca 0.38 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.90 3dkb h PHE 5140Cb 0.13 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3dkb h PHE 5140CO -0.00 -0.73 0.14 0.00 -2.23 0.00 0.00 178.31 175.50 3dkb h ARG 5141N -1.29 0.00 0.03 1.11 3.08 -1.07 -0.85 114.38 115.39 3dkb h ARG 5141Ca -0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3dkb h ARG 5141Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3dkb h ARG 5141CO 0.21 0.00 -0.02 2.35 -1.07 0.00 0.00 179.97 181.45 3dkb h TRP 5142N 0.00 -0.04 -0.93 3.04 7.01 -0.76 -2.50 115.95 121.76 3dkb h TRP 5142Ca 0.08 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.08 3dkb h TRP 5142Cb 0.37 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.39 3dkb h TRP 5142CO 0.00 0.53 0.61 1.96 -2.79 0.00 0.00 178.44 178.75 3dkb h GLN 5143N -0.65 1.24 0.67 2.65 4.20 -0.57 -1.72 115.11 120.93 3dkb h GLN 5143Ca -0.00 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3dkb h GLN 5143Cb 0.59 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3dkb h GLN 5143CO 0.01 0.83 -0.37 1.25 -0.67 0.00 0.00 178.83 179.88 3dkb h LEU 5144N 1.27 -0.91 -1.87 1.46 6.46 -1.19 -2.31 115.31 118.22 3dkb h LEU 5144Ca 0.34 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.14 3dkb h LEU 5144Cb -0.13 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3dkb h LEU 5144CO -0.07 -0.59 0.00 -0.08 -0.62 0.00 0.00 178.44 177.08 3dkb h GLU 5145N -0.96 0.00 0.11 1.25 4.81 -1.44 -0.95 114.58 117.40 3dkb h GLU 5145Ca -0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3dkb h GLU 5145Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3dkb h GLU 5145CO 0.12 0.00 -0.05 0.77 -0.73 0.00 0.00 179.01 179.12 3dkb h SER 5146N 0.00 -0.13 0.64 1.04 0.02 -1.04 -2.45 113.55 111.63 3dkb h SER 5146Ca 0.00 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3dkb h SER 5146Cb 0.14 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3dkb h SER 5146CO 0.00 0.39 0.00 -0.07 -1.14 0.00 0.00 176.83 176.01 3dkb h LEU 5147N -0.70 0.00 -1.54 5.07 3.38 -0.96 -3.48 115.31 117.09 3dkb h LEU 5147Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dkb h LEU 5147Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3dkb h LEU 5147CO 0.03 0.00 -0.27 0.29 0.09 0.00 0.00 178.44 178.58 3dkb n LYS 5148N -2.38 -1.49 -2.94 1.13 5.02 -0.40 -5.08 118.16 112.01 3dkb n LYS 5148Ca 0.01 1.43 -0.04 0.00 -2.02 0.00 0.00 58.31 57.70 3dkb n LYS 5148Cb 0.21 -1.42 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3dkb n LYS 5148CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dkb s SER 5149N -0.15 -1.30 0.00 4.39 0.15 -1.24 -4.93 113.70 110.63 3dkb s SER 5149Ca 0.00 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.17 3dkb s SER 5149Cb 0.00 1.80 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 3dkb s SER 5149CO 0.00 -0.10 0.00 1.67 1.20 0.00 0.00 173.24 176.01 3dkb n GLN 5150N 3.44 0.00 0.00 5.44 -0.06 -1.26 -4.68 117.38 120.26 3dkb n GLN 5150Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 3dkb n GLN 5150Cb 0.56 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.74 3dkb n GLN 5150CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 3dkb n GLU 5151N 0.00 0.04 -2.61 3.69 2.13 -1.26 -4.88 120.64 117.74 3dkb n GLU 5151Ca 0.00 -0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.68 3dkb n GLU 5151Cb 0.00 -0.38 0.02 0.00 0.27 0.00 0.00 31.44 31.35 3dkb n GLU 5151CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 3dkb n PHE 5152N -0.01 1.73 -3.15 4.31 1.16 -1.26 -4.99 117.46 115.25 3dkb n PHE 5152Ca 0.00 -2.82 0.05 0.00 -1.87 0.00 0.00 57.45 52.81 3dkb n PHE 5152Cb 0.18 -0.30 -0.00 0.00 -1.61 0.00 0.00 39.48 37.74 3dkb n PHE 5152CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3dkb s VAL 5153N -3.77 -0.53 0.00 1.97 0.11 -1.26 -4.78 120.40 112.15 3dkb s VAL 5153Ca 0.33 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 3dkb s VAL 5153Cb 0.44 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 3dkb s VAL 5153CO -0.02 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 172.96 3dkb n GLU 5154N 5.29 0.00 0.00 1.54 2.13 -1.26 -4.83 120.64 123.51 3dkb n GLU 5154Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3dkb n GLU 5154Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 3dkb n GLU 5154CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3dkb n TYR 5159N 12.08 0.00 0.00 4.31 4.02 -1.26 -5.18 117.16 131.12 3dkb n TYR 5159Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3dkb n TYR 5159Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3dkb n TYR 5159CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3dkb n ASP 5160N 0.00 0.00 -3.31 7.72 3.85 -1.26 -5.10 116.55 118.44 3dkb n ASP 5160Ca 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 54.79 54.09 3dkb n ASP 5160Cb 0.00 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.74 3dkb n ASP 5160CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3dkb s THR 5161N 0.69 -0.94 0.04 2.12 2.01 -1.26 -5.09 115.64 113.20 3dkb s THR 5161Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3dkb s THR 5161Cb 0.00 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.54 3dkb s THR 5161CO 0.00 -0.01 0.00 0.54 -0.69 0.00 0.00 174.62 174.46 3dkb n ARG 5162N 5.43 -2.13 0.00 4.92 3.00 -1.26 -5.10 116.66 121.51 3dkb n ARG 5162Ca -0.04 1.83 0.00 0.00 -0.01 0.00 0.00 57.85 59.63 3dkb n ARG 5162Cb 0.50 -2.01 0.00 0.00 0.00 0.00 0.00 32.46 30.95 3dkb n ARG 5162CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3dkb n ASN 5163N 0.74 0.00 0.08 0.55 5.15 -1.26 -5.08 115.26 115.44 3dkb n ASN 5163Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3dkb n ASN 5163Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3dkb n ASN 5163CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 3dkb n TRP 5164N 0.00 -1.63 -0.31 1.20 7.02 -1.26 -4.61 117.44 117.85 3dkb n TRP 5164Ca 0.00 0.32 0.16 0.00 -1.02 0.00 0.00 57.50 56.95 3dkb n TRP 5164Cb 0.00 0.80 0.30 0.00 -2.42 0.00 0.00 31.31 29.99 3dkb n TRP 5164CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3dkb n ASN 5165N -2.99 -0.04 0.04 -0.99 3.02 -1.26 0.19 115.26 113.22 3dkb n ASN 5165Ca 0.00 1.51 0.12 0.00 -0.03 0.00 0.00 54.58 56.18 3dkb n ASN 5165Cb 0.00 -0.58 0.09 0.00 -0.61 0.00 0.00 39.78 38.68 3dkb n ASN 5165CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dkb n ASP 5166N -5.26 0.64 0.06 6.41 10.43 -1.26 -3.97 116.55 123.60 3dkb n ASP 5166Ca 0.23 -0.11 -0.04 0.00 2.57 0.00 0.00 54.79 57.44 3dkb n ASP 5166Cb 0.76 0.55 0.18 0.00 1.84 0.00 0.00 41.12 44.45 3dkb n ASP 5166CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 3dkb h GLU 5167N 0.00 0.35 0.00 -1.24 4.57 0.18 -2.09 114.58 116.35 3dkb h GLU 5167Ca 0.00 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 57.92 3dkb h GLU 5167Cb 0.72 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 3dkb h GLU 5167CO 0.00 0.70 -0.45 2.35 -1.18 0.00 0.00 179.01 180.43 3dkb h TRP 5168N 0.29 0.00 0.28 0.92 2.91 -1.37 -2.99 115.95 116.00 3dkb h TRP 5168Ca 0.03 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 3dkb h TRP 5168Cb 0.84 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.49 3dkb h TRP 5168CO 0.02 0.45 -0.13 -0.44 -1.03 0.00 0.00 178.44 177.30 3dkb h ASP 5169N 0.00 -0.32 -0.75 2.65 5.19 -1.54 -0.44 116.42 121.21 3dkb h ASP 5169Ca -0.00 -0.18 0.15 0.00 -0.62 0.00 0.00 57.03 56.37 3dkb h ASP 5169Cb 1.04 0.08 -0.10 0.00 0.18 0.00 0.00 39.33 40.53 3dkb h ASP 5169CO 0.06 0.03 0.27 -1.13 -3.12 0.00 0.00 179.24 175.35 3dkb h ASN 5170N -0.70 0.20 0.50 6.45 -0.00 -1.39 0.74 115.58 121.37 3dkb h ASN 5170Ca -0.04 0.12 -0.10 0.00 -0.00 0.00 0.00 56.30 56.28 3dkb h ASN 5170Cb 0.48 0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.91 3dkb h ASN 5170CO 0.06 0.05 -0.48 -0.07 -0.00 0.00 0.00 177.43 177.00 3dkb h LEU 5171N 0.38 0.00 -0.44 0.34 3.38 -1.45 -1.53 115.31 115.99 3dkb h LEU 5171Ca 0.42 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.21 3dkb h LEU 5171Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3dkb h LEU 5171CO -0.44 0.48 -0.68 0.40 0.09 0.00 0.00 178.44 178.28 3dkb h ILE 5172N 0.00 1.36 -0.39 1.22 2.04 0.14 -3.08 117.51 118.80 3dkb h ILE 5172Ca -0.00 -2.05 -0.13 0.00 1.00 0.00 0.00 64.86 63.68 3dkb h ILE 5172Cb 0.85 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3dkb h ILE 5172CO 0.06 0.62 -0.27 0.11 0.00 0.00 0.00 178.15 178.68 3dkb h LYS 5173N 0.30 0.82 0.00 2.37 6.56 0.76 -2.75 116.57 124.64 3dkb h LYS 5173Ca -0.02 -0.36 -0.04 0.00 -1.06 0.00 0.00 60.65 59.17 3dkb h LYS 5173Cb 1.25 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 3dkb h LYS 5173CO 0.12 0.99 -0.19 0.52 -2.06 0.00 0.00 179.45 178.83 3dkb h MET 5174N 0.71 0.00 0.00 3.15 2.86 -1.26 -1.56 114.93 118.82 3dkb h MET 5174Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3dkb h MET 5174Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 3dkb h MET 5174CO 0.07 0.19 0.00 0.00 1.06 0.00 0.00 176.91 178.23 3dkb h ALA 5175N 1.81 1.00 -2.35 6.32 0.00 -1.40 -3.41 119.26 121.24 3dkb h ALA 5175Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 3dkb h ALA 5175Cb 0.46 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.36 3dkb h ALA 5175CO 0.02 0.00 0.34 -1.54 0.00 0.00 0.00 179.25 178.07 3dkb s SER 5176N -5.18 4.77 0.00 0.00 1.04 -0.59 -4.23 113.70 109.51 3dkb s SER 5176Ca 0.04 1.59 0.28 0.00 0.48 0.00 0.00 55.95 58.34 3dkb s SER 5176Cb 0.09 -2.37 1.69 0.00 0.10 0.00 0.00 66.02 65.52 3dkb s SER 5176CO 0.52 -1.83 2.06 0.35 0.98 0.00 0.00 173.24 175.32 3dkb n THR 5177N -3.37 0.00 -1.23 2.02 -2.24 -1.26 -4.60 114.28 103.59 3dkb n THR 5177Ca 0.08 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.52 3dkb n THR 5177Cb 0.54 -0.49 0.12 0.00 -2.10 0.00 0.00 70.33 68.40 3dkb n THR 5177CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3dkb s ASP 5178N -1.93 3.76 -0.11 3.42 -0.00 -1.26 -4.92 116.67 115.63 3dkb s ASP 5178Ca 0.42 2.43 -0.10 0.00 -0.00 0.00 0.00 52.55 55.30 3dkb s ASP 5178Cb 0.19 -2.60 -0.05 0.00 -0.00 0.00 0.00 42.92 40.47 3dkb s ASP 5178CO 0.33 -2.56 0.22 -0.89 -0.00 0.00 0.00 175.17 172.26 3dkb s THR 5179N -1.99 5.37 0.77 -1.27 2.01 -1.26 -3.92 115.64 115.35 3dkb s THR 5179Ca 0.75 0.39 -0.11 0.00 0.31 0.00 0.00 61.69 63.03 3dkb s THR 5179Cb -0.31 -3.51 0.05 0.00 0.01 0.00 0.00 72.50 68.75 3dkb s THR 5179CO 0.49 0.56 1.08 -2.84 -0.69 0.00 0.00 174.62 173.21 3dkb s PRO 5180N -0.65 2.30 -0.09 4.92 0.02 -1.26 -4.89 135.00 135.34 3dkb s PRO 5180Ca 0.16 0.82 -0.04 0.00 0.02 0.00 0.00 61.00 61.97 3dkb s PRO 5180Cb -0.13 -1.93 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 3dkb s PRO 5180CO 0.05 -1.52 2.89 -1.33 -0.33 0.00 0.00 177.00 176.77 3dkb n MET 5181N -3.39 1.75 -3.66 5.54 2.81 -1.26 -4.64 117.12 114.28 3dkb n MET 5181Ca 0.07 -0.96 -0.21 0.00 -1.81 0.00 0.00 57.70 54.80 3dkb n MET 5181Cb 0.55 -1.70 0.05 0.00 -0.71 0.00 0.00 33.22 31.41 3dkb n MET 5181CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dkb n ALA 5182N 1.78 -1.93 0.44 3.04 0.00 -1.26 -4.84 120.51 117.74 3dkb n ALA 5182Ca 0.30 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.76 3dkb n ALA 5182Cb 0.72 -2.39 0.45 0.00 0.00 0.00 0.00 19.45 18.23 3dkb n ALA 5182CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dkb n ARG 5183N -4.30 0.15 0.00 0.00 3.00 -1.26 -3.91 116.66 110.33 3dkb n ARG 5183Ca -0.26 0.37 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 3dkb n ARG 5183Cb 0.66 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 31.34 3dkb n ARG 5183CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3dkb n SER 5184N -2.06 0.00 0.00 0.55 7.64 -1.26 -5.06 113.62 113.43 3dkb n SER 5184Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3dkb n SER 5184Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 3dkb n SER 5184CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dkb n GLY 5185N 0.00 1.99 3.57 0.23 0.00 -1.25 -5.13 105.19 104.60 3dkb n GLY 5185Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3dkb n GLY 5185CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dkb s LEU 5186N 0.00 2.94 0.44 0.99 2.01 -1.26 -5.04 118.68 118.76 3dkb s LEU 5186Ca 0.00 -0.78 0.22 0.00 0.01 0.00 0.00 54.13 53.58 3dkb s LEU 5186Cb 0.00 -1.48 1.02 0.00 0.01 0.00 0.00 46.19 45.74 3dkb s LEU 5186CO 0.00 0.03 1.89 -0.61 1.01 0.00 0.00 176.35 178.66 3dkb h GLN 5187N 2.14 0.00 -5.05 1.70 4.15 -1.86 -3.40 115.11 112.80 3dkb h GLN 5187Ca -0.43 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 58.63 3dkb h GLN 5187Cb 1.25 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.79 3dkb h GLN 5187CO 0.59 0.24 -0.66 0.71 -1.93 0.00 0.00 178.83 177.79 3dkb s TYR 5188N -3.89 1.49 0.40 3.99 1.51 0.03 -4.39 117.35 116.49 3dkb s TYR 5188Ca -0.01 -0.92 -0.24 0.00 -1.01 0.00 0.00 57.07 54.88 3dkb s TYR 5188Cb 0.12 -0.85 -0.09 0.00 -0.11 0.00 0.00 41.96 41.03 3dkb s TYR 5188CO 0.64 -0.05 1.08 -0.80 -1.11 0.00 0.00 175.55 175.31 3dkb s ASN 5189N -3.28 6.70 0.40 2.29 0.01 -1.25 -4.38 114.94 115.44 3dkb s ASN 5189Ca 0.27 2.12 -0.23 0.00 -0.71 0.00 0.00 52.86 54.31 3dkb s ASN 5189Cb 0.05 -2.59 -0.10 0.00 0.41 0.00 0.00 41.25 39.02 3dkb s ASN 5189CO 0.07 -0.53 0.98 -0.55 -1.51 0.00 0.00 177.10 175.56 3dkb s SER 5190N -1.45 6.94 0.15 -1.22 0.15 -1.26 -4.61 113.70 112.40 3dkb s SER 5190Ca 0.57 1.82 0.05 0.00 0.70 0.00 0.00 55.95 59.10 3dkb s SER 5190Cb -0.24 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.47 3dkb s SER 5190CO 0.30 -0.36 0.10 -0.76 1.20 0.00 0.00 173.24 173.72 3dkb s LEU 5191N -2.82 3.70 0.00 3.45 1.02 -1.26 -4.88 118.68 117.90 3dkb s LEU 5191Ca 0.59 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.58 3dkb s LEU 5191Cb -0.15 -2.33 0.00 0.00 0.02 0.00 0.00 46.19 43.73 3dkb s LEU 5191CO 0.19 0.09 0.03 -1.84 0.02 0.00 0.00 176.35 174.85 3dkb n GLU 5192N -0.17 0.92 -0.40 1.70 0.28 -1.26 -5.01 120.64 116.69 3dkb n GLU 5192Ca -0.09 -3.20 -0.07 0.00 -0.16 0.00 0.00 57.16 53.64 3dkb n GLU 5192Cb 0.54 0.81 -0.05 0.00 1.43 0.00 0.00 31.44 34.18 3dkb n GLU 5192CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3dkb n GLU 5193N -1.15 -0.36 -0.29 3.44 1.02 -1.26 -0.61 120.64 121.42 3dkb n GLU 5193Ca -0.17 1.51 0.16 0.00 -0.02 0.00 0.00 57.16 58.64 3dkb n GLU 5193Cb 0.56 -2.22 0.43 0.00 -0.02 0.00 0.00 31.44 30.18 3dkb n GLU 5193CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3dkb h ILE 5194N 0.00 0.70 -0.63 -3.67 6.09 -1.99 0.24 117.51 118.25 3dkb h ILE 5194Ca 0.23 -0.20 -0.04 0.00 -1.37 0.00 0.00 64.86 63.48 3dkb h ILE 5194Cb 0.47 0.08 -0.03 0.00 0.47 0.00 0.00 36.82 37.82 3dkb h ILE 5194CO -0.95 0.10 0.22 0.45 -3.07 0.00 0.00 178.15 174.91 3dkb h HIS 5195N 0.57 0.99 -0.68 2.19 3.86 -1.26 -0.87 115.15 119.95 3dkb h HIS 5195Ca 0.51 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.60 3dkb h HIS 5195Cb 1.04 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 29.19 3dkb h HIS 5195CO -0.00 0.80 0.27 0.82 0.86 0.00 0.00 177.93 180.67 3dkb h ILE 5196N 0.89 1.24 -0.19 2.45 2.04 -0.21 -0.96 117.51 122.77 3dkb h ILE 5196Ca 0.21 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3dkb h ILE 5196Cb 0.25 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3dkb h ILE 5196CO -0.01 0.30 0.07 0.15 0.00 0.00 0.00 178.15 178.66 3dkb h PHE 5197N 0.98 0.30 -0.93 1.37 3.04 -0.77 -1.59 116.94 119.33 3dkb h PHE 5197Ca 0.23 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.18 3dkb h PHE 5197Cb 0.19 -0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.56 3dkb h PHE 5197CO 0.02 0.36 0.61 0.28 -2.02 0.00 0.00 178.31 177.56 3dkb h VAL 5198N 0.15 1.19 -0.42 1.41 2.07 -0.94 -2.68 116.25 117.03 3dkb h VAL 5198Ca 0.06 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3dkb h VAL 5198Cb 0.19 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 3dkb h VAL 5198CO -0.00 0.22 0.27 0.25 0.02 0.00 0.00 177.57 178.32 3dkb h LEU 5199N 1.21 0.50 -1.91 2.57 6.46 -0.79 -1.17 115.31 122.19 3dkb h LEU 5199Ca 0.36 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 58.08 3dkb h LEU 5199Cb -0.06 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.74 3dkb h LEU 5199CO -0.10 0.39 -0.02 0.00 -0.62 0.00 0.00 178.44 178.09 3dkb h ASN 5201N 0.00 0.82 -0.35 0.00 2.35 -1.13 0.20 115.58 117.47 3dkb h ASN 5201Ca -0.00 -0.88 -0.02 0.00 -0.55 0.00 0.00 56.30 54.85 3dkb h ASN 5201Cb 0.37 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3dkb h ASN 5201CO 0.00 1.69 0.16 0.40 -1.65 0.00 0.00 177.43 178.04 3dkb h ILE 5202N 0.14 1.15 0.00 2.81 2.04 -0.56 -1.63 117.51 121.47 3dkb h ILE 5202Ca -0.25 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3dkb h ILE 5202Cb 2.16 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3dkb h ILE 5202CO 0.27 0.19 -0.74 -0.07 0.00 0.00 0.00 178.15 177.80 3dkb h LEU 5203N 0.57 0.00 -1.46 1.44 3.38 -1.32 -2.48 115.31 115.44 3dkb h LEU 5203Ca 0.14 -0.14 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 3dkb h LEU 5203Cb 0.11 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.92 3dkb h LEU 5203CO -0.01 0.07 -0.79 0.54 0.09 0.00 0.00 178.44 178.34 3dkb n ARG 5204N -2.33 -5.59 -3.68 1.13 1.74 0.54 -4.79 116.66 103.67 3dkb n ARG 5204Ca 0.02 0.66 -0.11 0.00 -0.77 0.00 0.00 57.85 57.65 3dkb n ARG 5204Cb 0.48 -5.41 -0.09 0.00 -1.02 0.00 0.00 32.46 26.41 3dkb n ARG 5204CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3dkb s ARG 5205N -6.11 0.57 0.34 5.56 3.52 -0.21 -1.42 118.95 121.19 3dkb s ARG 5205Ca 0.24 0.86 -0.27 0.00 -0.13 0.00 0.00 55.73 56.43 3dkb s ARG 5205Cb -0.12 0.16 -0.09 0.00 -1.56 0.00 0.00 34.95 33.34 3dkb s ARG 5205CO 0.80 -0.12 1.16 -1.25 -0.81 0.00 0.00 175.30 175.08 3dkb s PRO 5206N 0.93 4.36 -0.11 5.12 0.04 -1.26 -4.52 135.00 139.56 3dkb s PRO 5206Ca -0.05 1.87 0.01 0.00 0.04 0.00 0.00 61.00 62.87 3dkb s PRO 5206Cb -0.06 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 3dkb s PRO 5206CO -0.08 -0.06 -0.15 0.42 0.04 0.00 0.00 177.00 177.17 3dkb s ILE 5207N -1.28 2.93 -0.21 0.56 1.01 -0.42 0.02 121.20 123.81 3dkb s ILE 5207Ca 0.50 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.45 3dkb s ILE 5207Cb -0.32 -2.20 0.04 0.00 0.01 0.00 0.00 42.46 39.99 3dkb s ILE 5207CO 0.41 0.54 -0.14 -0.63 0.00 0.00 0.00 174.94 175.12 3dkb s ILE 5208N 0.09 1.94 -0.26 2.92 1.01 0.10 0.03 121.20 127.02 3dkb s ILE 5208Ca -0.06 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.34 3dkb s ILE 5208Cb -0.15 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 3dkb s ILE 5208CO 0.05 0.27 0.17 -0.69 0.00 0.00 0.00 174.94 174.74 3dkb s VAL 5209N 1.28 5.28 -0.47 2.92 1.01 -0.51 -0.93 120.40 128.99 3dkb s VAL 5209Ca -0.01 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 3dkb s VAL 5209Cb -0.16 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.78 3dkb s VAL 5209CO -0.09 0.29 0.51 -0.63 0.00 0.00 0.00 175.10 175.18 3dkb s ILE 5210N 1.49 5.03 0.32 2.22 1.01 0.70 -1.86 121.20 130.11 3dkb s ILE 5210Ca 0.07 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.22 3dkb s ILE 5210Cb -0.15 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 3dkb s ILE 5210CO 0.08 -0.63 0.18 -0.94 0.00 0.00 0.00 174.94 173.64 3dkb s SER 5211N 2.38 5.00 -0.06 3.58 1.04 -1.26 -0.67 113.70 123.72 3dkb s SER 5211Ca 0.11 -0.58 -0.25 0.00 0.48 0.00 0.00 55.95 55.71 3dkb s SER 5211Cb -0.20 -0.93 -0.03 0.00 0.10 0.00 0.00 66.02 64.96 3dkb s SER 5211CO 0.11 -0.24 0.79 1.51 0.98 0.00 0.00 173.24 176.39 3dkb s ASP 5212N -3.88 7.09 -0.16 7.02 -4.77 -0.34 -4.93 116.67 116.71 3dkb s ASP 5212Ca 0.37 1.32 0.10 0.00 -3.30 0.00 0.00 52.55 51.04 3dkb s ASP 5212Cb -0.05 -2.46 -0.23 0.00 -1.09 0.00 0.00 42.92 39.09 3dkb s ASP 5212CO 0.24 -0.19 0.23 2.29 0.70 0.00 0.00 175.17 178.44 3dkb n LYS 5213N 3.97 0.68 -1.54 2.11 2.85 -1.26 -4.85 118.16 120.11 3dkb n LYS 5213Ca 0.01 0.14 -0.18 0.00 -1.05 0.00 0.00 58.31 57.24 3dkb n LYS 5213Cb 0.51 -1.62 -0.12 0.00 -0.65 0.00 0.00 35.03 33.15 3dkb n LYS 5213CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3dkb n MET 5214N -3.02 0.41 -2.71 -1.58 2.81 -1.26 -4.62 117.12 107.15 3dkb n MET 5214Ca -0.31 -0.54 -0.06 0.00 -1.81 0.00 0.00 57.70 54.99 3dkb n MET 5214Cb 1.08 -2.85 0.08 0.00 -0.71 0.00 0.00 33.22 30.82 3dkb n MET 5214CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dkb n LEU 5215N 14.59 -0.09 0.19 4.03 4.77 -1.26 -4.91 117.00 134.32 3dkb n LEU 5215Ca 0.53 -3.43 0.14 0.00 -0.03 0.00 0.00 56.01 53.22 3dkb n LEU 5215Cb 0.34 0.25 0.61 0.00 -2.33 0.00 0.00 43.42 42.29 3dkb n LEU 5215CO 0.72 1.61 0.91 -0.09 -1.33 0.00 0.00 177.39 179.21 3dkb h ARG 5216N 2.29 0.00 -0.46 3.23 1.12 -2.03 -1.69 114.38 116.84 3dkb h ARG 5216Ca -0.22 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.65 3dkb h ARG 5216Cb 1.25 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.21 3dkb h ARG 5216CO 0.15 0.00 0.00 0.45 -3.11 0.00 0.00 179.97 177.46 3dkb n SER 5217N -2.52 4.94 -4.74 -3.80 2.88 -1.26 -5.00 113.62 104.11 3dkb n SER 5217Ca 0.01 -2.90 -0.35 0.00 -1.33 0.00 0.00 58.87 54.30 3dkb n SER 5217Cb 0.21 -0.62 0.06 0.00 -0.75 0.00 0.00 64.21 63.11 3dkb n SER 5217CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3dkb s LEU 5218N -2.67 3.51 -0.36 2.46 0.20 -0.64 -4.99 118.68 116.20 3dkb s LEU 5218Ca 0.49 2.35 0.14 0.00 0.69 0.00 0.00 54.13 57.80 3dkb s LEU 5218Cb 0.38 -4.59 0.39 0.00 -0.43 0.00 0.00 46.19 41.93 3dkb s LEU 5218CO 0.14 -1.85 0.83 -1.84 -0.29 0.00 0.00 176.35 173.34 3dkb n GLU 5219N -2.08 1.03 -1.22 1.98 0.28 -1.26 -4.94 120.64 114.43 3dkb n GLU 5219Ca 0.13 -3.26 -0.28 0.00 -0.16 0.00 0.00 57.16 53.59 3dkb n GLU 5219Cb 0.50 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.92 3dkb n GLU 5219CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3dkb n SER 5220N 0.16 7.22 0.00 -1.84 3.41 -1.26 -5.17 113.62 116.14 3dkb n SER 5220Ca 0.19 -3.51 0.00 0.00 -0.26 0.00 0.00 58.87 55.28 3dkb n SER 5220Cb 0.72 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3dkb n SER 5220CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dkb n GLY 5221N -0.37 2.80 0.00 5.00 0.00 -1.26 -5.14 105.19 106.22 3dkb n GLY 5221Ca 0.50 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3dkb n GLY 5221CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dkb n PRO 5226N 0.00 0.00 -2.14 1.61 -0.02 -1.26 -5.24 135.00 127.95 3dkb n PRO 5226Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 3dkb n PRO 5226Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3dkb n PRO 5226CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dkb n LEU 5227N 0.00 -4.60 -4.26 2.45 7.99 -1.26 -4.92 117.00 112.40 3dkb n LEU 5227Ca 0.00 0.17 -0.43 0.00 -0.01 0.00 0.00 56.01 55.75 3dkb n LEU 5227Cb 0.00 -2.09 0.00 0.00 -0.11 0.00 0.00 43.42 41.22 3dkb n LEU 5227CO 0.00 -0.94 2.13 0.29 -1.51 0.00 0.00 177.39 177.36 3dkb n LYS 5228N -0.65 3.14 0.08 3.23 5.02 -1.26 -4.76 118.16 122.96 3dkb n LYS 5228Ca 0.04 -3.16 -0.04 0.00 -2.02 0.00 0.00 58.31 53.13 3dkb n LYS 5228Cb 0.29 -3.35 -0.08 0.00 -0.02 0.00 0.00 35.03 31.87 3dkb n LYS 5228CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dkb h VAL 5229N 4.87 1.46 -3.15 -0.18 2.07 -1.98 -3.47 116.25 115.87 3dkb h VAL 5229Ca 0.47 -3.06 -0.58 0.00 0.82 0.00 0.00 66.70 64.34 3dkb h VAL 5229Cb 0.78 2.72 0.15 0.00 -1.52 0.00 0.00 31.29 33.42 3dkb h VAL 5229CO 1.58 0.83 0.03 0.61 0.02 0.00 0.00 177.57 180.64 3dkb n GLY 5230N 1.31 -0.52 0.00 2.17 0.00 -1.26 -4.76 105.19 102.13 3dkb n GLY 5230Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3dkb n GLY 5230CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkb n GLY 5231N 1.34 1.00 3.38 -0.02 0.00 -0.78 -4.75 105.19 105.37 3dkb n GLY 5231Ca 0.11 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3dkb n GLY 5231CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dkb s ILE 5232N -1.94 3.56 -0.38 -0.61 1.01 0.19 -1.42 121.20 121.62 3dkb s ILE 5232Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 3dkb s ILE 5232Cb 0.00 -2.60 0.07 0.00 0.01 0.00 0.00 42.46 39.95 3dkb s ILE 5232CO 0.00 0.44 0.17 -0.31 0.00 0.00 0.00 174.94 175.25 3dkb s TYR 5233N 1.07 3.36 -0.06 3.97 1.51 0.10 -1.73 117.35 125.58 3dkb s TYR 5233Ca 0.01 -1.75 -0.06 0.00 -1.01 0.00 0.00 57.07 54.26 3dkb s TYR 5233Cb -0.15 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 3dkb s TYR 5233CO 0.00 -0.84 0.18 -0.51 -1.11 0.00 0.00 175.55 173.27 3dkb s LEU 5234N 1.33 4.38 -1.25 -1.29 1.43 -1.26 -1.30 118.68 120.72 3dkb s LEU 5234Ca 0.02 0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 53.48 3dkb s LEU 5234Cb -0.22 -2.37 -0.10 0.00 0.03 0.00 0.00 46.19 43.54 3dkb s LEU 5234CO 0.00 0.33 2.81 -0.81 0.23 0.00 0.00 176.35 178.92 3dkb n PRO 5235N 1.47 3.08 0.22 1.29 -0.04 -1.26 -4.72 135.00 135.05 3dkb n PRO 5235Ca -0.15 -1.86 0.11 0.00 -0.04 0.00 0.00 63.50 61.56 3dkb n PRO 5235Cb 0.54 -2.61 0.60 0.00 -0.04 0.00 0.00 33.50 31.99 3dkb n PRO 5235CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3dkb h LEU 5236N 7.06 0.00 0.00 1.53 3.38 -1.94 -0.49 115.31 124.85 3dkb h LEU 5236Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.67 3dkb h LEU 5236Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3dkb h LEU 5236CO 1.51 0.00 0.00 1.41 0.09 0.00 0.00 178.44 181.45 3dkb n HIS 5237N -2.40 0.00 -4.24 1.13 8.25 -1.26 -4.75 115.22 111.95 3dkb n HIS 5237Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3dkb n HIS 5237Cb 0.25 -0.14 -0.10 0.00 1.12 0.00 0.00 29.99 31.12 3dkb n HIS 5237CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3dkb s TRP 5238N -2.28 1.20 0.20 4.41 0.52 -0.19 -5.08 118.94 117.72 3dkb s TRP 5238Ca 0.29 -0.90 -0.20 0.00 0.02 0.00 0.00 56.10 55.31 3dkb s TRP 5238Cb 0.16 -0.66 -0.08 0.00 -1.15 0.00 0.00 33.47 31.74 3dkb s TRP 5238CO 0.31 -0.08 0.70 -1.25 0.02 0.00 0.00 176.95 176.65 3dkb s PRO 5239N -3.84 4.25 0.54 4.98 0.04 -1.26 -4.92 135.00 134.79 3dkb s PRO 5239Ca 0.19 0.85 0.20 0.00 0.04 0.00 0.00 61.00 62.29 3dkb s PRO 5239Cb 0.05 -2.94 1.10 0.00 0.04 0.00 0.00 34.50 32.75 3dkb s PRO 5239CO 0.02 0.44 1.58 0.00 0.04 0.00 0.00 177.00 179.07 3dkb h ALA 5240N 3.59 1.37 -0.02 8.56 0.00 -1.91 0.98 119.26 131.83 3dkb h ALA 5240Ca -0.48 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 3dkb h ALA 5240Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3dkb h ALA 5240CO 0.65 -0.37 -0.83 -0.56 0.00 0.00 0.00 179.25 178.14 3dkb h GLN 5241N 0.00 0.26 -0.43 0.00 3.07 -1.91 -3.17 115.11 112.92 3dkb h GLN 5241Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 58.65 58.48 3dkb h GLN 5241Cb 0.82 0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.45 3dkb h GLN 5241CO 0.00 0.96 0.00 0.39 0.09 0.00 0.00 178.83 180.27 3dkb n GLU 5242N -3.72 2.12 -4.40 0.06 1.02 0.33 -4.93 120.64 111.12 3dkb n GLU 5242Ca -0.04 -1.73 -0.24 0.00 -0.02 0.00 0.00 57.16 55.13 3dkb n GLU 5242Cb 0.77 -1.40 -0.09 0.00 -0.02 0.00 0.00 31.44 30.70 3dkb n GLU 5242CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dkb s TYR 5244N -2.46 3.55 -1.76 0.00 5.04 -0.51 -4.96 117.35 116.25 3dkb s TYR 5244Ca 0.31 1.37 0.05 0.00 -2.44 0.00 0.00 57.07 56.36 3dkb s TYR 5244Cb -0.04 -2.96 0.15 0.00 0.35 0.00 0.00 41.96 39.47 3dkb s TYR 5244CO 0.17 -0.04 1.05 0.54 -1.34 0.00 0.00 175.55 175.93 3dkb n ARG 5245N 4.28 1.48 -4.60 4.97 1.74 -1.26 -4.26 116.66 119.01 3dkb n ARG 5245Ca 0.03 -0.61 -0.33 0.00 -0.77 0.00 0.00 57.85 56.16 3dkb n ARG 5245Cb 0.50 -1.24 -0.12 0.00 -1.02 0.00 0.00 32.46 30.58 3dkb n ARG 5245CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dkb s TYR 5246N -1.70 2.92 0.73 -1.55 1.51 -1.26 -3.03 117.35 114.97 3dkb s TYR 5246Ca 0.11 -0.25 -0.11 0.00 -1.01 0.00 0.00 57.07 55.81 3dkb s TYR 5246Cb 0.06 -1.82 0.03 0.00 -0.11 0.00 0.00 41.96 40.13 3dkb s TYR 5246CO 0.07 0.08 1.12 -1.25 -1.11 0.00 0.00 175.55 174.45 3dkb s PRO 5247N -0.15 2.61 -0.21 -1.71 0.04 -1.26 -4.34 135.00 129.99 3dkb s PRO 5247Ca 0.01 0.35 -0.04 0.00 0.04 0.00 0.00 61.00 61.37 3dkb s PRO 5247Cb -0.13 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 3dkb s PRO 5247CO 0.03 -1.19 -0.03 0.42 0.04 0.00 0.00 177.00 176.27 3dkb s ILE 5248N -3.42 3.56 -0.23 0.56 1.01 0.10 -4.77 121.20 118.01 3dkb s ILE 5248Ca 0.59 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.71 3dkb s ILE 5248Cb -0.11 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 3dkb s ILE 5248CO 0.51 0.43 0.13 -0.69 0.00 0.00 0.00 174.94 175.32 3dkb s VAL 5249N 1.22 5.06 0.26 2.92 1.01 -1.26 0.02 120.40 129.63 3dkb s VAL 5249Ca 0.03 0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.20 3dkb s VAL 5249Cb -0.14 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3dkb s VAL 5249CO -0.01 0.36 -0.17 -0.76 0.00 0.00 0.00 175.10 174.52 3dkb s LEU 5250N 1.10 2.68 0.15 3.92 1.43 -0.10 -0.79 118.68 127.07 3dkb s LEU 5250Ca 0.06 -0.92 0.09 0.00 -1.03 0.00 0.00 54.13 52.33 3dkb s LEU 5250Cb -0.14 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 3dkb s LEU 5250CO 0.04 0.05 -0.14 -0.83 0.23 0.00 0.00 176.35 175.70 3dkb s GLY 5251N -3.38 1.72 -0.12 -3.19 0.00 0.91 -0.21 107.32 103.05 3dkb s GLY 5251Ca 0.29 -1.42 -0.06 0.00 0.00 0.00 0.00 44.72 43.52 3dkb s GLY 5251CO 0.15 -1.42 0.29 -0.47 0.00 0.00 0.00 173.10 171.65 3dkb s TYR 5252N -1.45 -0.40 0.00 1.90 5.04 0.16 -2.01 117.35 120.58 3dkb s TYR 5252Ca 0.22 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 3dkb s TYR 5252Cb -0.10 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.31 3dkb s TYR 5252CO 0.13 -0.27 0.00 -0.40 -1.34 0.00 0.00 175.55 173.67 3dkb n ASP 5253N 4.29 0.00 0.27 4.32 3.85 -1.13 -1.19 116.55 126.96 3dkb n ASP 5253Ca -0.24 0.00 -0.14 0.00 -0.71 0.00 0.00 54.79 53.70 3dkb n ASP 5253Cb 0.53 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.23 3dkb n ASP 5253CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3dkb h SER 5254N 0.00 -0.99 -0.06 -1.12 4.64 -1.99 -3.42 113.55 110.62 3dkb h SER 5254Ca 0.00 0.07 -0.23 0.00 -0.47 0.00 0.00 61.79 61.16 3dkb h SER 5254Cb 0.00 0.31 -0.16 0.00 -0.31 0.00 0.00 62.40 62.24 3dkb h SER 5254CO 0.00 -0.53 -0.40 1.41 -0.87 0.00 0.00 176.83 176.43 3dkb n HIS 5255N -4.71 -2.33 -3.79 4.77 8.25 -1.26 -5.12 115.22 111.03 3dkb n HIS 5255Ca -0.10 -1.99 -0.13 0.00 -0.26 0.00 0.00 57.72 55.24 3dkb n HIS 5255Cb 0.36 1.51 -0.12 0.00 1.12 0.00 0.00 29.99 32.85 3dkb n HIS 5255CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3dkb s HIS 5256N 0.03 -0.22 -0.02 4.41 5.04 -1.26 -5.07 115.29 118.21 3dkb s HIS 5256Ca 0.22 0.54 -0.03 0.00 -1.54 0.00 0.00 55.06 54.25 3dkb s HIS 5256Cb 0.39 0.06 -0.04 0.00 0.04 0.00 0.00 32.58 33.03 3dkb s HIS 5256CO -0.08 -0.12 0.18 -0.06 -2.34 0.00 0.00 174.74 172.32 3dkb s PHE 5257N 0.29 3.55 -0.03 3.88 0.40 -1.26 -2.82 117.98 121.99 3dkb s PHE 5257Ca -0.02 0.37 -0.13 0.00 -0.60 0.00 0.00 56.93 56.56 3dkb s PHE 5257Cb -0.03 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.68 3dkb s PHE 5257CO -0.01 0.65 0.28 0.54 0.70 0.00 0.00 175.22 177.38 3dkb s VAL 5258N -1.29 0.05 0.28 -0.44 0.11 -0.85 -4.72 120.40 113.54 3dkb s VAL 5258Ca 0.26 -0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 58.67 3dkb s VAL 5258Cb -0.13 -0.55 -0.09 0.00 -1.53 0.00 0.00 36.38 34.08 3dkb s VAL 5258CO 0.17 -0.24 0.79 -2.16 -3.33 0.00 0.00 175.10 170.33 3dkb s PRO 5259N -1.10 4.27 -0.86 1.54 0.04 -1.26 -0.07 135.00 137.57 3dkb s PRO 5259Ca -0.12 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 61.87 3dkb s PRO 5259Cb -0.05 -2.71 0.21 0.00 0.04 0.00 0.00 34.50 31.99 3dkb s PRO 5259CO 0.03 0.29 0.73 -0.51 0.04 0.00 0.00 177.00 177.57 3dkb s LEU 5260N -2.30 5.44 0.37 -3.56 1.43 0.03 -2.54 118.68 117.56 3dkb s LEU 5260Ca 0.48 -3.69 -0.24 0.00 -1.03 0.00 0.00 54.13 49.65 3dkb s LEU 5260Cb -0.15 -1.87 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 3dkb s LEU 5260CO 0.20 -0.18 0.97 0.68 0.23 0.00 0.00 176.35 178.25 3dkb s VAL 5261N -1.30 4.14 0.68 -1.59 -7.23 -0.59 -4.62 120.40 109.90 3dkb s VAL 5261Ca 0.27 1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 61.95 3dkb s VAL 5261Cb -0.08 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 33.03 3dkb s VAL 5261CO -0.12 0.01 1.06 -0.89 -0.31 0.00 0.00 175.10 174.84 3dkb s THR 5262N -1.75 3.96 0.32 5.32 2.01 -1.26 0.22 115.64 124.45 3dkb s THR 5262Ca 0.55 0.68 -0.13 0.00 0.31 0.00 0.00 61.69 63.09 3dkb s THR 5262Cb -0.17 -3.37 -0.08 0.00 0.01 0.00 0.00 72.50 68.89 3dkb s THR 5262CO 0.22 -0.79 0.71 -0.76 -0.69 0.00 0.00 174.62 173.31 3dkb s LEU 5263N -5.41 4.04 0.00 4.42 1.02 -0.81 -2.08 118.68 119.86 3dkb s LEU 5263Ca 0.59 1.18 -0.22 0.00 0.02 0.00 0.00 54.13 55.71 3dkb s LEU 5263Cb -0.14 -3.99 -0.19 0.00 0.02 0.00 0.00 46.19 41.88 3dkb s LEU 5263CO 0.52 -0.22 1.19 0.50 0.02 0.00 0.00 176.35 178.36 3dkb h LYS 5264N 2.12 0.30 0.00 1.70 3.64 -1.10 -3.46 116.57 119.76 3dkb h LYS 5264Ca -0.48 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 3dkb h LYS 5264Cb 1.18 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3dkb h LYS 5264CO 0.66 0.87 0.00 -0.25 -2.27 0.00 0.00 179.45 178.46 3dkb n ASP 5265N -4.47 0.00 0.00 4.20 8.00 -1.26 -5.04 116.55 117.97 3dkb n ASP 5265Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3dkb n ASP 5265Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 3dkb n ASP 5265CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3dkb n SER 5266N -0.34 0.00 -1.39 -2.24 2.88 -1.26 -4.87 113.62 106.40 3dkb n SER 5266Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 3dkb n SER 5266Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 3dkb n SER 5266CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dkb n GLY 5267N 0.00 -3.06 0.50 0.46 0.00 -1.26 -4.71 105.19 97.12 3dkb n GLY 5267Ca 0.00 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.22 3dkb n GLY 5267CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dkb n PRO 5268N -4.27 1.69 -1.05 1.61 -0.02 -1.26 -4.96 135.00 126.74 3dkb n PRO 5268Ca -0.09 -1.01 -0.33 0.00 -2.02 0.00 0.00 63.50 60.05 3dkb n PRO 5268Cb 0.64 -1.46 0.13 0.00 -0.02 0.00 0.00 33.50 32.80 3dkb n PRO 5268CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dkb n GLU 5269N 0.22 0.10 -3.59 -0.52 4.71 -1.26 -5.00 120.64 115.30 3dkb n GLU 5269Ca 0.18 0.11 -0.24 0.00 -0.01 0.00 0.00 57.16 57.20 3dkb n GLU 5269Cb 0.35 -2.42 -0.02 0.00 -1.01 0.00 0.00 31.44 28.34 3dkb n GLU 5269CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3dkb s ILE 5270N -2.18 5.16 -0.67 -3.67 1.09 -1.16 -4.63 121.20 115.14 3dkb s ILE 5270Ca 0.72 -0.52 -0.25 0.00 -1.10 0.00 0.00 60.65 59.50 3dkb s ILE 5270Cb -0.28 -3.82 0.04 0.00 -1.06 0.00 0.00 42.46 37.34 3dkb s ILE 5270CO 0.52 -0.39 1.12 -0.13 -0.10 0.00 0.00 174.94 175.96 3dkb s ARG 5271N -3.92 3.22 0.02 2.79 0.52 -1.26 -0.69 118.95 119.63 3dkb s ARG 5271Ca 0.38 -0.39 -0.28 0.00 -0.52 0.00 0.00 55.73 54.93 3dkb s ARG 5271Cb -0.10 -4.16 0.08 0.00 0.52 0.00 0.00 34.95 31.29 3dkb s ARG 5271CO 0.32 -1.90 0.71 0.00 0.02 0.00 0.00 175.30 174.45 3dkb s ALA 5272N 4.87 -1.73 -0.22 2.13 0.00 -1.26 -1.01 121.76 124.54 3dkb s ALA 5272Ca 0.31 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.27 3dkb s ALA 5272Cb -0.11 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.37 3dkb s ALA 5272CO 0.15 -0.56 -0.08 0.54 0.00 0.00 0.00 175.76 175.82 3dkb s VAL 5273N -2.41 1.61 0.28 0.00 0.11 0.49 -4.57 120.40 115.90 3dkb s VAL 5273Ca -0.03 -1.15 -0.29 0.00 -2.93 0.00 0.00 61.98 57.58 3dkb s VAL 5273Cb -0.01 -1.78 -0.14 0.00 -1.53 0.00 0.00 36.38 32.92 3dkb s VAL 5273CO -0.02 0.02 1.10 -0.81 -3.33 0.00 0.00 175.10 172.06 3dkb n PRO 5274N 4.66 1.51 -0.72 1.54 -0.04 -1.26 -1.66 135.00 139.03 3dkb n PRO 5274Ca -0.13 0.53 -0.02 0.00 -0.04 0.00 0.00 63.50 63.84 3dkb n PRO 5274Cb 0.45 -1.97 0.24 0.00 -0.04 0.00 0.00 33.50 32.18 3dkb n PRO 5274CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dkb n LEU 5275N 1.32 4.80 -4.16 1.53 4.77 0.16 -4.84 117.00 120.58 3dkb n LEU 5275Ca 0.10 -2.48 -0.10 0.00 -0.03 0.00 0.00 56.01 53.50 3dkb n LEU 5275Cb 0.32 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 3dkb n LEU 5275CO 0.61 0.64 -0.35 0.68 -1.33 0.00 0.00 177.39 177.64 3dkb s VAL 5276N -2.29 0.41 -0.04 4.08 -7.23 -1.26 -2.03 120.40 112.04 3dkb s VAL 5276Ca 0.40 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 3dkb s VAL 5276Cb 0.31 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 3dkb s VAL 5276CO 0.10 -0.73 0.06 0.20 -0.31 0.00 0.00 175.10 174.43 3dkb s ASN 5277N -3.04 5.64 -1.47 4.85 0.01 0.65 -4.88 114.94 116.70 3dkb s ASN 5277Ca 0.16 0.19 -0.12 0.00 -0.71 0.00 0.00 52.86 52.38 3dkb s ASN 5277Cb 0.07 -1.64 0.03 0.00 0.41 0.00 0.00 41.25 40.12 3dkb s ASN 5277CO -0.03 0.32 2.36 -1.14 -1.51 0.00 0.00 177.10 177.10 3dkb n ARG 5278N 1.57 3.24 0.00 -0.60 0.00 -1.26 -2.40 116.66 117.21 3dkb n ARG 5278Ca -0.16 -2.68 0.00 0.00 -0.00 0.00 0.00 57.85 55.02 3dkb n ARG 5278Cb 0.53 -3.09 0.00 0.00 0.00 0.00 0.00 32.46 29.90 3dkb n ARG 5278CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3dkb n ASP 5279N 4.99 -1.46 -4.57 6.15 2.03 -0.67 -4.76 116.55 118.25 3dkb n ASP 5279Ca 0.57 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.50 3dkb n ASP 5279Cb 0.34 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.71 3dkb n ASP 5279CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3dkb s ARG 5280N -2.20 3.40 0.00 -0.67 0.52 -1.26 -4.10 118.95 114.64 3dkb s ARG 5280Ca 0.00 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 3dkb s ARG 5280Cb 0.00 -5.35 0.00 0.00 0.52 0.00 0.00 34.95 30.12 3dkb s ARG 5280CO 0.00 -2.63 0.00 0.41 0.02 0.00 0.00 175.30 173.10 3dkb n GLY 5281N 6.34 2.78 3.72 -3.53 0.00 -1.26 -5.00 105.19 108.25 3dkb n GLY 5281Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 3dkb n GLY 5281CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dkb s ARG 5282N -0.07 2.31 -0.46 1.61 3.52 -1.26 -4.95 118.95 119.65 3dkb s ARG 5282Ca 0.00 -1.62 -0.09 0.00 -0.13 0.00 0.00 55.73 53.89 3dkb s ARG 5282Cb 0.00 -2.11 0.11 0.00 -1.56 0.00 0.00 34.95 31.39 3dkb s ARG 5282CO 0.00 0.08 0.33 -0.06 -0.81 0.00 0.00 175.30 174.84 3dkb s PHE 5283N -2.46 3.40 0.00 5.12 2.99 -1.26 -1.67 117.98 124.10 3dkb s PHE 5283Ca 0.38 -1.78 -0.20 0.00 0.00 0.00 0.00 56.93 55.32 3dkb s PHE 5283Cb -0.01 -3.40 -0.05 0.00 0.00 0.00 0.00 43.02 39.55 3dkb s PHE 5283CO 0.22 -0.97 0.59 -2.00 -0.00 0.00 0.00 175.22 173.07 3dkb s GLU 5284N 1.38 4.31 0.54 0.44 2.56 -1.01 -4.83 118.70 122.09 3dkb s GLU 5284Ca 0.05 0.74 -0.21 0.00 0.00 0.00 0.00 54.97 55.55 3dkb s GLU 5284Cb -0.26 -3.33 -0.05 0.00 2.00 0.00 0.00 34.13 32.49 3dkb s GLU 5284CO -0.00 0.39 1.20 -0.51 -0.56 0.00 0.00 175.26 175.78 3dkb s ASP 5285N -0.26 5.58 0.43 -1.70 -0.00 -1.26 -0.25 116.67 119.21 3dkb s ASP 5285Ca 0.31 2.38 -0.24 0.00 -0.00 0.00 0.00 52.55 55.00 3dkb s ASP 5285Cb -0.18 -2.60 -0.08 0.00 -0.00 0.00 0.00 42.92 40.05 3dkb s ASP 5285CO 0.17 -1.33 1.11 -0.76 -0.00 0.00 0.00 175.17 174.36 3dkb s LEU 5286N -3.64 4.08 0.12 1.23 1.02 -0.86 -4.78 118.68 115.85 3dkb s LEU 5286Ca 0.72 2.17 -0.30 0.00 0.02 0.00 0.00 54.13 56.73 3dkb s LEU 5286Cb -0.30 -4.21 -0.07 0.00 0.02 0.00 0.00 46.19 41.63 3dkb s LEU 5286CO 0.34 -0.69 1.24 -0.75 0.02 0.00 0.00 176.35 176.51 3dkb s LYS 5287N -2.58 4.43 -0.34 1.70 2.20 -1.26 -4.84 119.74 119.04 3dkb s LYS 5287Ca 0.60 1.88 -0.09 0.00 -0.36 0.00 0.00 55.97 58.01 3dkb s LYS 5287Cb -0.25 -3.28 0.03 0.00 -1.51 0.00 0.00 37.83 32.81 3dkb s LYS 5287CO 0.31 -0.23 0.15 0.08 -0.36 0.00 0.00 175.35 175.29 3dkb s VAL 5288N 0.63 4.20 0.61 4.02 1.01 -1.26 0.54 120.40 130.15 3dkb s VAL 5288Ca 0.58 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 3dkb s VAL 5288Cb -0.32 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3dkb s VAL 5288CO 0.32 -0.13 1.18 -1.00 0.00 0.00 0.00 175.10 175.47 3dkb s HIS 5289N 1.50 2.42 -1.64 5.22 3.76 -0.70 -4.15 115.29 121.69 3dkb s HIS 5289Ca 0.01 1.53 -0.13 0.00 -0.15 0.00 0.00 55.06 56.33 3dkb s HIS 5289Cb -0.19 -3.41 0.11 0.00 1.11 0.00 0.00 32.58 30.20 3dkb s HIS 5289CO 0.05 -2.10 0.56 1.19 -0.85 0.00 0.00 174.74 173.59 3dkb n PHE 5290N -1.78 -1.56 -3.10 1.40 3.01 -1.26 -4.79 117.46 109.37 3dkb n PHE 5290Ca 0.13 0.74 -0.30 0.00 1.01 0.00 0.00 57.45 59.03 3dkb n PHE 5290Cb 0.50 -2.94 -0.04 0.00 -0.01 0.00 0.00 39.48 37.00 3dkb n PHE 5290CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3dkb s LEU 5291N -7.22 3.96 0.34 4.37 1.43 -1.26 -4.94 118.68 115.37 3dkb s LEU 5291Ca 0.49 0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 54.54 3dkb s LEU 5291Cb -0.27 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 3dkb s LEU 5291CO 0.95 -0.28 0.57 -0.89 0.23 0.00 0.00 176.35 176.92 3dkb s THR 5292N -2.19 5.07 0.25 5.49 2.01 -1.26 -4.82 115.64 120.19 3dkb s THR 5292Ca 0.48 -0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 3dkb s THR 5292Cb -0.11 -3.82 0.34 0.00 0.01 0.00 0.00 72.50 68.93 3dkb s THR 5292CO 0.29 -0.51 1.57 -2.24 -0.69 0.00 0.00 174.62 173.04 3dkb h ASP 5293N 1.01 -0.99 0.57 3.53 -0.00 -1.99 0.27 116.42 118.83 3dkb h ASP 5293Ca -0.49 0.27 -0.02 0.00 -0.00 0.00 0.00 57.03 56.80 3dkb h ASP 5293Cb 1.21 0.60 -0.02 0.00 -0.00 0.00 0.00 39.33 41.12 3dkb h ASP 5293CO 0.63 -0.30 -0.46 -0.65 -0.00 0.00 0.00 179.24 178.47 3dkb h PRO 5294N -0.02 -0.97 -0.83 4.15 0.11 -1.99 -2.93 132.00 129.52 3dkb h PRO 5294Ca 0.40 0.07 0.06 0.00 0.11 0.00 0.00 66.00 66.63 3dkb h PRO 5294Cb 0.64 0.22 -0.06 0.00 0.11 0.00 0.00 31.00 31.91 3dkb h PRO 5294CO -0.92 -0.65 0.52 0.93 -0.21 0.00 0.00 178.00 177.67 3dkb h GLU 5295N -1.00 0.93 -0.59 1.05 5.08 -1.69 -1.17 114.58 117.18 3dkb h GLU 5295Ca -0.07 -0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.41 3dkb h GLU 5295Cb 0.85 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3dkb h GLU 5295CO 0.00 0.61 0.43 -0.97 -1.00 0.00 0.00 179.01 178.09 3dkb h ASN 5296N 0.95 0.00 -0.17 1.42 -1.24 -0.39 0.23 115.58 116.38 3dkb h ASN 5296Ca 0.36 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.24 3dkb h ASN 5296Cb 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 3dkb h ASN 5296CO -0.16 0.00 -0.40 -0.33 -1.29 0.00 0.00 177.43 175.25 3dkb h GLU 5297N 0.00 0.58 -0.87 6.67 4.39 -1.03 -3.17 114.58 121.14 3dkb h GLU 5297Ca 0.28 -0.39 -0.30 0.00 0.34 0.00 0.00 59.36 59.30 3dkb h GLU 5297Cb 1.15 0.05 -0.18 0.00 -0.10 0.00 0.00 28.75 29.68 3dkb h GLU 5297CO -0.00 1.00 0.38 0.00 -1.16 0.00 0.00 179.01 179.22 3dkb n MET 5298N -4.27 2.90 -0.18 2.33 0.00 0.13 -4.67 117.12 113.35 3dkb n MET 5298Ca -0.06 -2.67 -0.03 0.00 0.00 0.00 0.00 57.70 54.94 3dkb n MET 5298Cb 0.53 -2.08 0.04 0.00 0.00 0.00 0.00 33.22 31.71 3dkb n MET 5298CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3dkb h LYS 5299N 1.78 -0.05 -0.13 3.17 3.64 -0.63 0.18 116.57 124.53 3dkb h LYS 5299Ca 0.36 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 3dkb h LYS 5299Cb 2.35 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 34.17 3dkb h LYS 5299CO 0.78 -0.03 0.12 1.49 -2.27 0.00 0.00 179.45 179.54 3dkb h GLU 5300N -0.05 0.00 -0.00 1.90 4.57 -1.87 -1.93 114.58 117.19 3dkb h GLU 5300Ca 0.26 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 3dkb h GLU 5300Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3dkb h GLU 5300CO -0.59 0.00 -0.08 0.87 -1.18 0.00 0.00 179.01 178.03 3dkb h LYS 5301N 0.00 0.05 -0.74 1.92 6.56 -1.35 -3.09 116.57 119.93 3dkb h LYS 5301Ca 0.06 -0.06 0.04 0.00 -1.06 0.00 0.00 60.65 59.64 3dkb h LYS 5301Cb 0.30 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.94 3dkb h LYS 5301CO -0.00 0.83 0.49 -0.07 -2.06 0.00 0.00 179.45 178.64 3dkb h LEU 5302N -0.70 0.75 -0.63 2.94 3.38 -0.79 -1.38 115.31 118.89 3dkb h LEU 5302Ca -0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3dkb h LEU 5302Cb 0.85 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3dkb h LEU 5302CO 0.02 0.51 0.14 -0.07 0.09 0.00 0.00 178.44 179.13 3dkb h LEU 5303N 0.87 0.96 -1.08 1.67 3.38 -1.44 0.45 115.31 120.12 3dkb h LEU 5303Ca 0.30 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dkb h LEU 5303Cb 0.11 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3dkb h LEU 5303CO -0.09 0.95 0.00 0.11 0.09 0.00 0.00 178.44 179.50 3dkb h LYS 5304N 0.93 0.00 0.06 1.13 1.57 -1.29 0.73 116.57 119.69 3dkb h LYS 5304Ca 0.20 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.73 3dkb h LYS 5304Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3dkb h LYS 5304CO 0.00 0.00 -1.31 1.49 -0.57 0.00 0.00 179.45 179.07 3dkb h GLU 5305N 0.00 0.12 0.00 3.15 4.81 -0.43 -3.39 114.58 118.84 3dkb h GLU 5305Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3dkb h GLU 5305Cb 0.58 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3dkb h GLU 5305CO 0.00 1.10 -0.53 0.66 -0.73 0.00 0.00 179.01 179.51 3dkb n TYR 5306N -4.14 0.54 -4.31 0.92 4.02 0.15 -4.78 117.16 109.55 3dkb n TYR 5306Ca -0.28 0.16 -0.16 0.00 -0.01 0.00 0.00 57.90 57.60 3dkb n TYR 5306Cb 0.79 -0.65 -0.10 0.00 -0.02 0.00 0.00 39.34 39.36 3dkb n TYR 5306CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3dkb s LEU 5307N -4.12 2.32 -1.07 7.72 1.43 0.24 -4.33 118.68 120.87 3dkb s LEU 5307Ca 0.07 -1.15 -0.10 0.00 -1.03 0.00 0.00 54.13 51.92 3dkb s LEU 5307Cb 0.14 -0.32 0.27 0.00 0.03 0.00 0.00 46.19 46.30 3dkb s LEU 5307CO 0.70 -0.44 1.06 -0.04 0.23 0.00 0.00 176.35 177.86 3dkb s MET 5308N -3.81 4.10 0.28 1.70 -1.94 -1.17 -4.32 119.30 114.14 3dkb s MET 5308Ca 0.25 -3.08 -0.29 0.00 -1.71 0.00 0.00 55.69 50.85 3dkb s MET 5308Cb 0.04 -4.54 -0.10 0.00 2.01 0.00 0.00 34.83 32.25 3dkb s MET 5308CO 0.06 -1.26 1.12 0.08 -0.01 0.00 0.00 175.02 175.01 3dkb s VAL 5309N -0.98 3.43 0.10 -6.03 1.01 -1.26 -2.15 120.40 114.52 3dkb s VAL 5309Ca 0.29 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.70 3dkb s VAL 5309Cb -0.10 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3dkb s VAL 5309CO -0.08 0.33 -0.02 0.27 0.00 0.00 0.00 175.10 175.61 3dkb s ILE 5310N -1.08 0.36 -0.14 2.22 -4.36 0.11 -4.96 121.20 113.34 3dkb s ILE 5310Ca 0.45 -1.88 -0.06 0.00 -0.26 0.00 0.00 60.65 58.90 3dkb s ILE 5310Cb -0.33 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 3dkb s ILE 5310CO 0.42 -0.78 0.08 -1.61 0.24 0.00 0.00 174.94 173.28 3dkb s GLU 5311N -3.93 3.59 -0.08 0.37 2.02 -1.26 -0.92 118.70 118.49 3dkb s GLU 5311Ca 0.14 -0.28 0.01 0.00 0.02 0.00 0.00 54.97 54.86 3dkb s GLU 5311Cb 0.07 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 31.19 3dkb s GLU 5311CO -0.04 0.54 -0.10 0.42 0.02 0.00 0.00 175.26 176.10 3dkb s ILE 5312N -0.38 1.01 -0.63 -1.63 1.01 0.55 -4.93 121.20 116.21 3dkb s ILE 5312Ca 0.10 -0.36 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 3dkb s ILE 5312Cb -0.12 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.38 3dkb s ILE 5312CO 0.02 0.34 1.60 -2.84 0.00 0.00 0.00 174.94 174.06 3dkb s PRO 5313N 1.04 2.95 0.20 2.79 0.02 -1.26 -1.59 135.00 139.15 3dkb s PRO 5313Ca -0.08 0.36 0.04 0.00 0.02 0.00 0.00 61.00 61.33 3dkb s PRO 5313Cb -0.15 -4.27 -0.03 0.00 0.02 0.00 0.00 34.50 30.07 3dkb s PRO 5313CO -0.01 -2.37 0.33 0.08 -0.33 0.00 0.00 177.00 174.70 3dkb s VAL 5314N 7.41 5.28 0.34 3.83 1.01 0.51 -4.92 120.40 133.85 3dkb s VAL 5314Ca 0.55 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3dkb s VAL 5314Cb -0.11 -3.81 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 3dkb s VAL 5314CO 0.20 -0.23 1.41 0.00 0.00 0.00 0.00 175.10 176.48 3dkb n GLN 5315N -1.02 2.38 0.00 2.72 1.13 -1.26 -1.63 117.38 119.70 3dkb n GLN 5315Ca -0.08 0.84 0.00 0.00 -1.94 0.00 0.00 57.00 55.82 3dkb n GLN 5315Cb 0.56 -2.50 0.00 0.00 0.11 0.00 0.00 30.24 28.40 3dkb n GLN 5315CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dkb n GLY 5316N 0.99 -1.24 2.85 1.08 0.00 0.24 -4.56 105.19 104.55 3dkb n GLY 5316Ca 0.05 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 3dkb n GLY 5316CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dkb n TRP 5317N 0.00 2.55 -3.61 1.61 8.01 -1.26 -4.80 117.44 119.94 3dkb n TRP 5317Ca 0.00 -2.71 -0.22 0.00 -1.31 0.00 0.00 57.50 53.26 3dkb n TRP 5317Cb 0.00 -1.17 0.04 0.00 -2.01 0.00 0.00 31.31 28.18 3dkb n TRP 5317CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3dkb n ASP 5318N 0.78 -3.13 -2.68 -0.99 8.00 -1.26 -4.96 116.55 112.29 3dkb n ASP 5318Ca 0.33 -0.84 -0.05 0.00 0.71 0.00 0.00 54.79 54.94 3dkb n ASP 5318Cb 0.31 -4.14 0.08 0.00 -0.02 0.00 0.00 41.12 37.35 3dkb n ASP 5318CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dkb n HIS 5319N -4.06 -1.18 -0.10 1.24 1.44 -1.26 -4.99 115.22 106.31 3dkb n HIS 5319Ca -0.21 -0.97 0.00 0.00 -2.01 0.00 0.00 57.72 54.53 3dkb n HIS 5319Cb 0.65 1.22 0.00 0.00 0.12 0.00 0.00 29.99 31.97 3dkb n HIS 5319CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dkb n GLY 5320N 1.39 0.00 3.88 -1.39 0.00 -1.26 -4.86 105.19 102.94 3dkb n GLY 5320Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3dkb n GLY 5320CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dkb s THR 5321N -0.18 4.85 -0.02 2.61 -1.32 -1.26 -4.96 115.64 115.35 3dkb s THR 5321Ca 0.00 0.53 0.00 0.00 -1.21 0.00 0.00 61.69 61.01 3dkb s THR 5321Cb 0.00 -3.68 0.03 0.00 -1.51 0.00 0.00 72.50 67.34 3dkb s THR 5321CO 0.00 -0.32 0.02 0.42 -2.21 0.00 0.00 174.62 172.53 3dkb s THR 5322N -2.11 0.03 0.10 5.08 -4.23 -1.26 0.83 115.64 114.07 3dkb s THR 5322Ca 0.49 0.17 0.04 0.00 -1.18 0.00 0.00 61.69 61.21 3dkb s THR 5322Cb -0.11 -0.15 -0.04 0.00 1.34 0.00 0.00 72.50 73.54 3dkb s THR 5322CO 0.26 0.11 0.09 -1.00 -0.54 0.00 0.00 174.62 173.54 3dkb s HIS 5323N 1.05 3.18 -0.29 3.99 3.76 -0.65 -4.84 115.29 121.49 3dkb s HIS 5323Ca -0.09 0.05 -0.12 0.00 -0.15 0.00 0.00 55.06 54.75 3dkb s HIS 5323Cb -0.13 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 3dkb s HIS 5323CO -0.02 0.52 0.21 -1.17 -0.85 0.00 0.00 174.74 173.43 3dkb s LEU 5324N -2.55 4.10 0.27 0.89 2.96 -1.26 -0.37 118.68 122.72 3dkb s LEU 5324Ca 0.30 -0.06 0.11 0.00 -0.22 0.00 0.00 54.13 54.26 3dkb s LEU 5324Cb -0.12 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 3dkb s LEU 5324CO 0.22 -0.09 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.37 3dkb s ILE 5325N 1.78 2.66 -0.04 6.68 1.01 -0.62 -4.89 121.20 127.77 3dkb s ILE 5325Ca 0.07 -2.26 -0.17 0.00 0.00 0.00 0.00 60.65 58.29 3dkb s ILE 5325Cb -0.16 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3dkb s ILE 5325CO 0.11 -0.36 0.46 0.20 0.00 0.00 0.00 174.94 175.35 3dkb s ASN 5326N -3.43 6.79 -0.00 3.58 0.01 -1.26 -0.33 114.94 120.29 3dkb s ASN 5326Ca 0.29 0.94 -0.02 0.00 -0.71 0.00 0.00 52.86 53.37 3dkb s ASN 5326Cb -0.06 -2.28 -0.00 0.00 0.41 0.00 0.00 41.25 39.32 3dkb s ASN 5326CO 0.15 0.18 0.03 0.00 -1.51 0.00 0.00 177.10 175.95 3dkb s ALA 5327N -0.34 -0.07 -0.07 0.60 0.00 -0.10 0.36 121.76 122.15 3dkb s ALA 5327Ca 0.25 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.95 3dkb s ALA 5327Cb -0.16 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 3dkb s ALA 5327CO 0.13 -0.08 0.43 0.00 0.00 0.00 0.00 175.76 176.24 3dkb s ALA 5328N -0.52 3.57 0.23 0.00 0.00 -0.66 -0.72 121.76 123.66 3dkb s ALA 5328Ca -0.06 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 3dkb s ALA 5328Cb -0.04 -2.52 -0.09 0.00 0.00 0.00 0.00 23.12 20.47 3dkb s ALA 5328CO -0.00 0.20 1.33 0.15 0.00 0.00 0.00 175.76 177.44 3dkb s LYS 5329N -0.08 4.37 -0.12 0.00 -0.14 -0.91 -0.38 119.74 122.47 3dkb s LYS 5329Ca 0.24 2.12 -0.11 0.00 -1.36 0.00 0.00 55.97 56.86 3dkb s LYS 5329Cb -0.16 -3.16 -0.05 0.00 -1.68 0.00 0.00 37.83 32.79 3dkb s LYS 5329CO 0.11 -0.26 0.23 -0.51 -0.76 0.00 0.00 175.35 174.17 3dkb s LEU 5330N -0.48 4.34 0.91 3.17 1.43 -0.18 -4.43 118.68 123.43 3dkb s LEU 5330Ca 0.56 0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.09 3dkb s LEU 5330Cb -0.38 -2.26 0.14 0.00 0.03 0.00 0.00 46.19 43.72 3dkb s LEU 5330CO 0.42 0.27 1.12 -0.62 0.23 0.00 0.00 176.35 177.76 3dkb s ASP 5331N -0.40 3.09 0.10 2.29 3.68 -1.26 -4.76 116.67 119.41 3dkb s ASP 5331Ca 0.16 1.97 0.05 0.00 2.13 0.00 0.00 52.55 56.86 3dkb s ASP 5331Cb -0.13 -2.49 -0.04 0.00 -1.45 0.00 0.00 42.92 38.81 3dkb s ASP 5331CO 0.05 -2.96 -0.00 -1.83 0.13 0.00 0.00 175.17 170.56 3dkb s GLU 5332N -4.71 2.53 -0.30 4.34 -1.05 -1.26 -4.98 118.70 113.27 3dkb s GLU 5332Ca 0.65 -0.86 -0.43 0.00 -0.15 0.00 0.00 54.97 54.19 3dkb s GLU 5332Cb -0.21 -2.53 -0.19 0.00 -0.44 0.00 0.00 34.13 30.77 3dkb s GLU 5332CO 0.58 0.53 1.52 0.00 0.95 0.00 0.00 175.26 178.85 3dkb n ALA 5333N 0.53 -1.43 -1.31 -0.84 0.00 -1.26 -4.70 120.51 111.49 3dkb n ALA 5333Ca -0.11 0.49 0.02 0.00 0.00 0.00 0.00 53.44 53.84 3dkb n ALA 5333Cb 0.52 -1.99 0.03 0.00 0.00 0.00 0.00 19.45 18.02 3dkb n ALA 5333CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dkb n ASN 5334N 3.78 0.78 -4.69 0.00 6.94 -0.21 -4.99 115.26 116.87 3dkb n ASN 5334Ca 0.27 -2.02 -0.42 0.00 -0.02 0.00 0.00 54.58 52.38 3dkb n ASN 5334Cb 0.04 -0.18 -0.03 0.00 -2.36 0.00 0.00 39.78 37.25 3dkb n ASN 5334CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3dkb s LEU 5335N -0.78 4.29 0.53 -4.53 1.43 -1.25 -4.83 118.68 113.55 3dkb s LEU 5335Ca 0.07 1.75 -0.22 0.00 -1.03 0.00 0.00 54.13 54.70 3dkb s LEU 5335Cb 0.06 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 3dkb s LEU 5335CO 0.01 -0.50 1.38 -2.84 0.23 0.00 0.00 176.35 174.63 3dkb s PRO 5336N 1.87 3.21 0.26 1.29 0.02 -1.26 -4.62 135.00 135.76 3dkb s PRO 5336Ca 0.54 2.29 -0.10 0.00 0.02 0.00 0.00 61.00 63.74 3dkb s PRO 5336Cb -0.23 -2.32 0.38 0.00 0.02 0.00 0.00 34.50 32.34 3dkb s PRO 5336CO 0.23 -1.15 1.58 0.87 -0.33 0.00 0.00 177.00 178.19 3dkb h LYS 5337N 1.58 -0.01 0.00 5.54 6.56 -1.94 0.20 116.57 128.50 3dkb h LYS 5337Ca -0.51 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 3dkb h LYS 5337Cb 1.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 3dkb h LYS 5337CO 0.58 -0.00 0.06 -0.85 -2.06 0.00 0.00 179.45 177.18 3dkb n GLU 5338N -5.56 0.05 -0.28 3.15 0.00 -1.26 -1.35 120.64 115.38 3dkb n GLU 5338Ca 0.13 0.51 0.02 0.00 0.00 0.00 0.00 57.16 57.83 3dkb n GLU 5338Cb 0.44 -1.72 0.03 0.00 0.00 0.00 0.00 31.44 30.19 3dkb n GLU 5338CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3dkb n ILE 5339N -1.74 0.49 -3.32 3.84 -5.35 0.55 -4.95 119.36 108.88 3dkb n ILE 5339Ca -0.00 -0.57 -0.46 0.00 -0.27 0.00 0.00 62.75 61.45 3dkb n ILE 5339Cb 0.07 0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 38.35 3dkb n ILE 5339CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3dkb s ASN 5340N -1.23 6.18 0.33 7.28 3.84 -0.36 -4.81 114.94 126.17 3dkb s ASN 5340Ca 0.07 -1.71 0.18 0.00 0.21 0.00 0.00 52.86 51.61 3dkb s ASN 5340Cb 0.06 -2.21 0.26 0.00 -0.55 0.00 0.00 41.25 38.82 3dkb s ASN 5340CO 0.01 -0.83 1.54 -0.07 -2.79 0.00 0.00 177.10 174.96 3dkb h LEU 5341N 8.88 0.00 -0.84 3.21 3.38 -1.86 -3.28 115.31 124.80 3dkb h LEU 5341Ca -0.30 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 3dkb h LEU 5341Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3dkb h LEU 5341CO 1.01 0.38 -0.09 0.58 0.09 0.00 0.00 178.44 180.42 3dkb h VAL 5342N 0.00 1.25 -0.07 1.22 2.07 -1.91 -1.33 116.25 117.48 3dkb h VAL 5342Ca -0.00 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 3dkb h VAL 5342Cb 1.21 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3dkb h VAL 5342CO 0.05 0.39 0.03 0.44 0.02 0.00 0.00 177.57 178.50 3dkb h ASP 5343N 0.71 0.10 -0.40 0.57 3.45 -1.96 0.57 116.42 119.45 3dkb h ASP 5343Ca 0.12 -0.15 0.01 0.00 0.43 0.00 0.00 57.03 57.44 3dkb h ASP 5343Cb 0.56 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.28 3dkb h ASP 5343CO 0.03 0.22 0.26 0.44 -1.57 0.00 0.00 179.24 178.63 3dkb h ASP 5344N -0.03 0.45 -0.71 6.45 3.45 -1.62 0.02 116.42 124.43 3dkb h ASP 5344Ca 0.02 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.44 3dkb h ASP 5344Cb 0.15 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 3dkb h ASP 5344CO -0.00 0.32 0.31 0.22 -1.57 0.00 0.00 179.24 178.53 3dkb h TYR 5345N 0.53 1.07 -0.49 4.55 3.20 -1.11 -2.15 116.97 122.57 3dkb h TYR 5345Ca 0.15 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3dkb h TYR 5345Cb -0.05 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 37.87 3dkb h TYR 5345CO -0.05 0.80 -0.03 0.35 -1.64 0.00 0.00 178.16 177.59 3dkb h PHE 5346N 1.05 0.92 -0.46 -3.82 3.57 -0.16 -2.10 116.94 115.93 3dkb h PHE 5346Ca 0.25 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3dkb h PHE 5346Cb 0.16 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3dkb h PHE 5346CO 0.02 0.86 0.16 0.93 -2.23 0.00 0.00 178.31 178.04 3dkb h GLU 5347N 0.78 0.67 0.27 1.11 4.39 -0.45 0.11 114.58 121.47 3dkb h GLU 5347Ca 0.14 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3dkb h GLU 5347Cb 0.52 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3dkb h GLU 5347CO 0.03 0.58 -0.13 1.25 -1.16 0.00 0.00 179.01 179.58 3dkb h LEU 5348N 0.66 -0.30 -1.24 1.33 5.85 -0.79 -1.70 115.31 119.12 3dkb h LEU 5348Ca 0.16 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 3dkb h LEU 5348Cb 0.17 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3dkb h LEU 5348CO -0.01 -0.13 -0.26 -0.37 -0.34 0.00 0.00 178.44 177.33 3dkb h VAL 5349N -0.46 1.23 -0.67 1.05 -1.51 -1.11 -1.03 116.25 113.75 3dkb h VAL 5349Ca -0.04 -1.09 -0.00 0.00 -1.23 0.00 0.00 66.70 64.34 3dkb h VAL 5349Cb 0.35 1.43 -0.03 0.00 -2.13 0.00 0.00 31.29 30.91 3dkb h VAL 5349CO 0.06 0.33 0.40 1.56 -1.23 0.00 0.00 177.57 178.69 3dkb h GLN 5350N 0.18 0.91 0.20 5.19 1.08 -0.53 -1.93 115.11 120.22 3dkb h GLN 5350Ca 0.03 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3dkb h GLN 5350Cb 0.55 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3dkb h GLN 5350CO 0.04 0.65 -0.10 1.25 -0.95 0.00 0.00 178.83 179.72 3dkb h HIS 5351N 0.91 -0.25 -0.07 2.96 2.76 -1.00 -2.77 115.15 117.69 3dkb h HIS 5351Ca 0.24 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3dkb h HIS 5351Cb -0.03 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 3dkb h HIS 5351CO -0.01 0.14 0.19 0.93 -1.30 0.00 0.00 177.93 177.87 3dkb h GLU 5352N -0.90 0.00 0.00 5.26 4.39 -1.24 -1.30 114.58 120.80 3dkb h GLU 5352Ca -0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3dkb h GLU 5352Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3dkb h GLU 5352CO 0.05 0.00 -0.06 -0.92 -1.16 0.00 0.00 179.01 176.92 3dkb h TYR 5353N 0.00 0.05 -0.55 4.33 3.20 -1.34 -1.05 116.97 121.61 3dkb h TYR 5353Ca 0.03 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.90 3dkb h TYR 5353Cb 0.40 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 3dkb h TYR 5353CO 0.00 0.87 0.37 0.87 -1.64 0.00 0.00 178.16 178.63 3dkb h LYS 5354N -0.79 0.65 0.00 1.82 1.57 -1.03 0.79 116.57 119.58 3dkb h LYS 5354Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dkb h LYS 5354Cb 0.89 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3dkb h LYS 5354CO 0.01 0.43 0.00 1.17 -0.57 0.00 0.00 179.45 180.49 3dkb n LYS 5355N -4.46 0.41 -0.07 3.15 4.81 -0.57 -2.04 118.16 119.37 3dkb n LYS 5355Ca 0.06 0.02 -0.05 0.00 -0.87 0.00 0.00 58.31 57.47 3dkb n LYS 5355Cb 0.12 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.51 3dkb n LYS 5355CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 3dkb n TRP 5356N -1.28 0.06 -0.02 5.64 -0.00 0.25 -3.32 117.44 118.77 3dkb n TRP 5356Ca 0.13 0.02 -0.15 0.00 -0.00 0.00 0.00 57.50 57.50 3dkb n TRP 5356Cb 0.22 -0.90 -0.12 0.00 -0.00 0.00 0.00 31.31 30.51 3dkb n TRP 5356CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3dkb h GLN 5357N 0.00 0.17 0.00 5.87 4.20 -0.63 -1.33 115.11 123.39 3dkb h GLN 5357Ca -0.41 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.04 3dkb h GLN 5357Cb 1.96 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.78 3dkb h GLN 5357CO 0.03 0.95 -0.32 0.93 -0.67 0.00 0.00 178.83 179.75 3dkb h GLU 5358N -0.53 0.00 -0.03 1.46 5.08 -1.61 -3.08 114.58 115.87 3dkb h GLU 5358Ca -0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3dkb h GLU 5358Cb 1.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.31 3dkb h GLU 5358CO 0.05 0.32 -0.38 -0.91 -1.00 0.00 0.00 179.01 177.09 3dkb h ASN 5359N 0.00 0.38 0.00 1.42 4.21 -1.57 -3.25 115.58 116.77 3dkb h ASN 5359Ca -0.00 -0.72 0.00 0.00 1.21 0.00 0.00 56.30 56.79 3dkb h ASN 5359Cb 0.58 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 3dkb h ASN 5359CO 0.04 1.05 0.00 -1.54 -1.29 0.00 0.00 177.43 175.69 3dkb n SER 5360N -4.39 0.34 -0.54 5.81 3.41 -0.50 -2.83 113.62 114.91 3dkb n SER 5360Ca -0.09 -0.55 0.05 0.00 -0.26 0.00 0.00 58.87 58.02 3dkb n SER 5360Cb 0.55 -0.14 0.13 0.00 -0.26 0.00 0.00 64.21 64.49 3dkb n SER 5360CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dkb n GLU 5361N 0.42 1.68 0.00 4.33 1.02 -1.23 -5.05 120.64 121.81 3dkb n GLU 5361Ca 0.00 -1.03 0.06 0.00 -0.02 0.00 0.00 57.16 56.16 3dkb n GLU 5361Cb 0.08 -1.23 0.05 0.00 -0.02 0.00 0.00 31.44 30.31 3dkb n GLU 5361CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35