#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hyb s LYS 5002N 0.00 3.60 0.02 0.03 1.02 -1.26 -1.67 119.74 121.49 2hyb s LYS 5002Ca 0.00 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 55.49 2hyb s LYS 5002Cb 0.00 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 2hyb s LYS 5002CO 0.00 -0.15 0.08 -0.06 -0.92 0.00 0.00 175.35 174.30 2hyb s PHE 5003N 1.45 3.25 -0.21 3.18 0.08 0.14 0.82 117.98 126.69 2hyb s PHE 5003Ca 0.05 0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.25 2hyb s PHE 5003Cb -0.15 -1.70 0.06 0.00 -0.57 0.00 0.00 43.02 40.66 2hyb s PHE 5003CO 0.02 0.54 -0.01 0.00 -0.10 0.00 0.00 175.22 175.66 2hyb s ALA 5004N -1.25 1.48 -0.12 5.36 0.00 -0.23 0.19 121.76 127.19 2hyb s ALA 5004Ca 0.25 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 2hyb s ALA 5004Cb -0.12 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2hyb s ALA 5004CO 0.16 -1.16 0.15 -0.51 0.00 0.00 0.00 175.76 174.40 2hyb s LEU 5005N 1.63 4.38 -0.11 0.00 1.43 -0.40 -1.57 118.68 124.02 2hyb s LEU 5005Ca -0.03 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2hyb s LEU 5005Cb -0.18 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.96 2hyb s LEU 5005CO -0.07 0.38 -0.17 -1.58 0.23 0.00 0.00 176.35 175.14 2hyb s GLN 5006N -0.90 2.43 -0.15 1.70 0.74 -0.78 -0.79 119.66 121.91 2hyb s GLN 5006Ca 0.15 -0.64 0.02 0.00 0.05 0.00 0.00 55.36 54.93 2hyb s GLN 5006Cb -0.12 -2.02 0.01 0.00 1.10 0.00 0.00 33.01 31.98 2hyb s GLN 5006CO 0.04 -0.03 -0.20 0.42 -0.55 0.00 0.00 175.29 174.96 2hyb s ILE 5007N 0.89 2.20 -2.24 -2.34 1.01 -0.78 -0.59 121.20 119.36 2hyb s ILE 5007Ca -0.08 -0.93 0.18 0.00 0.00 0.00 0.00 60.65 59.83 2hyb s ILE 5007Cb -0.15 -1.89 0.18 0.00 0.01 0.00 0.00 42.46 40.61 2hyb s ILE 5007CO -0.01 0.54 1.12 0.59 0.00 0.00 0.00 174.94 177.18 2hyb n ASN 5008N 4.10 2.65 -4.28 3.58 3.02 -0.39 -1.84 115.26 122.10 2hyb n ASN 5008Ca -0.20 -1.80 -0.18 0.00 -0.03 0.00 0.00 54.58 52.37 2hyb n ASN 5008Cb 0.51 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.54 2hyb n ASN 5008CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2hyb s GLU 5009N -1.49 1.12 0.97 3.52 0.41 -1.26 -3.31 118.70 118.67 2hyb s GLU 5009Ca 0.23 -1.36 -0.12 0.00 -0.41 0.00 0.00 54.97 53.31 2hyb s GLU 5009Cb 0.16 -0.97 0.17 0.00 -1.78 0.00 0.00 34.13 31.71 2hyb s GLU 5009CO 0.23 0.18 1.10 0.20 -0.49 0.00 0.00 175.26 176.48 2hyb s GLY 5010N -2.74 1.57 0.42 -1.39 0.00 -1.16 -3.78 107.32 100.25 2hyb s GLY 5010Ca 0.13 -0.34 -0.23 0.00 0.00 0.00 0.00 44.72 44.28 2hyb s GLY 5010CO 0.04 0.24 1.08 2.56 0.00 0.00 0.00 173.10 177.02 2hyb s PRO 5011N -5.00 4.04 0.00 2.90 0.04 -1.26 -3.94 135.00 131.78 2hyb s PRO 5011Ca 0.65 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2hyb s PRO 5011Cb -0.18 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2hyb s PRO 5011CO 0.57 -0.26 0.00 0.66 0.04 0.00 0.00 177.00 178.01 2hyb n TYR 5012N -0.24 0.00 -0.31 0.56 4.02 -1.26 -4.61 117.16 115.33 2hyb n TYR 5012Ca 0.06 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.97 2hyb n TYR 5012Cb 0.49 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 40.02 2hyb n TYR 5012CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 2hyb h GLN 5013N 0.00 1.08 -4.59 -0.72 5.75 -1.99 -3.43 115.11 111.21 2hyb h GLN 5013Ca 0.00 -0.07 -0.27 0.00 -0.15 0.00 0.00 58.65 58.16 2hyb h GLN 5013Cb 0.00 -0.24 -0.21 0.00 1.07 0.00 0.00 27.48 28.10 2hyb h GLN 5013CO 0.00 0.72 -0.73 -1.01 -2.65 0.00 0.00 178.83 175.15 2hyb s HIS 5014N -5.95 0.70 0.08 3.99 3.76 -1.25 -5.05 115.29 111.56 2hyb s HIS 5014Ca -0.12 -0.53 0.32 0.00 -0.15 0.00 0.00 55.06 54.58 2hyb s HIS 5014Cb 0.19 -0.42 1.24 0.00 1.11 0.00 0.00 32.58 34.70 2hyb s HIS 5014CO 0.80 -0.08 1.94 0.37 -0.85 0.00 0.00 174.74 176.92 2hyb h GLN 5015N 4.39 0.00 -0.32 1.40 4.15 -1.89 -3.37 115.11 119.46 2hyb h GLN 5015Ca -0.36 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.09 2hyb h GLN 5015Cb 1.20 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 2hyb h GLN 5015CO 0.42 0.03 -0.19 0.00 -1.93 0.00 0.00 178.83 177.17 2hyb n ALA 5016N -2.11 -0.20 -0.30 3.38 0.00 -1.26 -0.76 120.51 119.26 2hyb n ALA 5016Ca 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 2hyb n ALA 5016Cb 0.34 0.01 0.11 0.00 0.00 0.00 0.00 19.45 19.91 2hyb n ALA 5016CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2hyb h SER 5017N 0.00 0.85 0.04 0.00 0.87 -1.82 0.88 113.55 114.36 2hyb h SER 5017Ca 0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2hyb h SER 5017Cb 0.13 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2hyb h SER 5017CO -0.30 0.57 -0.02 0.44 -0.53 0.00 0.00 176.83 176.99 2hyb h ASP 5018N 0.99 -0.04 -0.02 6.23 3.32 -1.22 -0.31 116.42 125.38 2hyb h ASP 5018Ca 0.34 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.24 2hyb h ASP 5018Cb 0.06 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2hyb h ASP 5018CO -0.13 0.15 -0.21 0.28 -1.72 0.00 0.00 179.24 177.61 2hyb h SER 5019N -0.24 -0.63 -0.88 6.45 0.02 -0.78 0.63 113.55 118.12 2hyb h SER 5019Ca -0.01 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.20 2hyb h SER 5019Cb 0.22 0.26 -0.07 0.00 0.14 0.00 0.00 62.40 62.95 2hyb h SER 5019CO 0.01 -0.28 0.57 0.00 -1.14 0.00 0.00 176.83 175.99 2hyb h ALA 5020N 0.57 1.94 0.17 3.77 0.00 -0.72 0.28 119.26 125.27 2hyb h ALA 5020Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2hyb h ALA 5020Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2hyb h ALA 5020CO -0.21 -0.20 -0.08 -0.92 0.00 0.00 0.00 179.25 177.84 2hyb h TYR 5021N 0.60 -0.22 -0.88 0.00 3.20 0.29 -1.12 116.97 118.84 2hyb h TYR 5021Ca 0.45 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.39 2hyb h TYR 5021Cb 0.85 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 2hyb h TYR 5021CO -0.00 0.13 0.57 1.96 -1.64 0.00 0.00 178.16 179.19 2hyb h GLN 5022N -0.60 0.93 0.73 1.82 1.08 0.10 -0.53 115.11 118.63 2hyb h GLN 5022Ca -0.02 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 2hyb h GLN 5022Cb 0.45 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2hyb h GLN 5022CO 0.04 0.61 -0.35 0.35 -0.95 0.00 0.00 178.83 178.53 2hyb h PHE 5023N 0.96 -0.91 -0.75 2.96 3.57 -0.40 -2.45 116.94 119.92 2hyb h PHE 5023Ca 0.39 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.98 2hyb h PHE 5023Cb 0.27 0.30 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 2hyb h PHE 5023CO -0.00 -0.55 0.37 0.00 -2.23 0.00 0.00 178.31 175.90 2hyb h ALA 5024N -0.81 1.07 -0.05 2.41 0.00 -0.48 0.31 119.26 121.71 2hyb h ALA 5024Ca -0.10 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hyb h ALA 5024Cb 0.77 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2hyb h ALA 5024CO 0.16 -0.06 0.02 -0.22 0.00 0.00 0.00 179.25 179.15 2hyb h LYS 5025N 0.60 0.07 0.00 0.00 3.64 -1.13 0.13 116.57 119.89 2hyb h LYS 5025Ca 0.38 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.78 2hyb h LYS 5025Cb 0.46 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2hyb h LYS 5025CO -0.30 0.17 -0.15 0.00 -2.27 0.00 0.00 179.45 176.90 2hyb h ALA 5026N 0.90 -0.18 -0.61 5.00 0.00 -0.93 0.74 119.26 124.18 2hyb h ALA 5026Ca 0.02 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2hyb h ALA 5026Cb 0.12 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2hyb h ALA 5026CO -0.00 -0.64 0.30 0.00 0.00 0.00 0.00 179.25 178.91 2hyb h ALA 5027N 0.69 0.81 -0.60 0.00 0.00 -0.78 -1.94 119.26 117.45 2hyb h ALA 5027Ca 0.05 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2hyb h ALA 5027Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2hyb h ALA 5027CO -0.14 -0.07 0.17 -0.07 0.00 0.00 0.00 179.25 179.15 2hyb h LEU 5028N 0.55 0.88 -1.99 0.00 3.38 -0.29 -2.27 115.31 115.57 2hyb h LEU 5028Ca 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2hyb h LEU 5028Cb 0.25 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2hyb h LEU 5028CO -0.22 0.86 -0.06 -0.33 0.09 0.00 0.00 178.44 178.79 2hyb h GLU 5029N 0.85 0.00 -0.00 1.13 5.08 -0.28 -1.98 114.58 119.38 2hyb h GLU 5029Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2hyb h GLU 5029Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2hyb h GLU 5029CO -0.00 0.06 -0.19 1.63 -1.00 0.00 0.00 179.01 179.50 2hyb n LYS 5030N -3.30 0.17 0.00 2.33 5.02 -0.78 -4.91 118.16 116.69 2hyb n LYS 5030Ca -0.01 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2hyb n LYS 5030Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2hyb n LYS 5030CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hyb n GLY 5031N 1.44 0.58 3.78 0.72 0.00 -0.74 -5.09 105.19 105.88 2hyb n GLY 5031Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2hyb n GLY 5031CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hyb s HIS 5032N -2.00 2.70 -0.10 1.61 3.76 -0.89 -4.90 115.29 115.46 2hyb s HIS 5032Ca 0.00 1.53 -0.03 0.00 -0.15 0.00 0.00 55.06 56.41 2hyb s HIS 5032Cb 0.00 -3.06 -0.03 0.00 1.11 0.00 0.00 32.58 30.60 2hyb s HIS 5032CO 0.00 -1.62 0.01 -2.00 -0.85 0.00 0.00 174.74 170.28 2hyb s GLU 5033N -4.59 3.17 -0.52 1.40 2.12 -0.67 -4.35 118.70 115.26 2hyb s GLU 5033Ca 0.63 -0.40 -0.09 0.00 0.36 0.00 0.00 54.97 55.47 2hyb s GLU 5033Cb -0.18 -2.87 0.13 0.00 0.26 0.00 0.00 34.13 31.48 2hyb s GLU 5033CO 0.49 0.62 0.39 0.42 -0.54 0.00 0.00 175.26 176.65 2hyb s ILE 5034N -0.65 4.29 0.25 -3.70 1.01 -1.26 0.26 121.20 121.39 2hyb s ILE 5034Ca 0.11 -1.96 -0.06 0.00 0.00 0.00 0.00 60.65 58.74 2hyb s ILE 5034Cb -0.12 -3.81 0.23 0.00 0.01 0.00 0.00 42.46 38.78 2hyb s ILE 5034CO 0.02 -0.81 1.89 0.15 0.00 0.00 0.00 174.94 176.19 2hyb h PHE 5035N 8.26 1.13 -1.68 3.97 3.57 -0.59 -3.43 116.94 128.17 2hyb h PHE 5035Ca -0.17 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.40 2hyb h PHE 5035Cb 1.06 -0.38 -0.25 0.00 2.79 0.00 0.00 35.95 39.17 2hyb h PHE 5035CO 0.68 0.65 0.39 0.50 -2.23 0.00 0.00 178.31 178.29 2hyb s ARG 5036N -6.09 0.57 -0.33 1.11 3.52 -1.15 -4.58 118.95 112.01 2hyb s ARG 5036Ca -0.13 0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 56.11 2hyb s ARG 5036Cb 0.18 0.28 0.05 0.00 -1.56 0.00 0.00 34.95 33.90 2hyb s ARG 5036CO 0.80 -0.07 0.07 0.08 -0.81 0.00 0.00 175.30 175.38 2hyb s VAL 5037N 0.26 3.47 -0.18 7.11 1.01 -0.84 -1.28 120.40 129.95 2hyb s VAL 5037Ca 0.02 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.71 2hyb s VAL 5037Cb -0.05 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 2hyb s VAL 5037CO -0.05 -0.18 -0.07 0.12 0.00 0.00 0.00 175.10 174.92 2hyb s PHE 5038N 1.34 2.92 -0.20 5.22 2.19 0.02 -0.31 117.98 129.16 2hyb s PHE 5038Ca -0.03 -0.78 -0.12 0.00 0.33 0.00 0.00 56.93 56.34 2hyb s PHE 5038Cb -0.20 -2.00 -0.05 0.00 -1.31 0.00 0.00 43.02 39.47 2hyb s PHE 5038CO 0.01 -0.38 0.20 -0.06 1.83 0.00 0.00 175.22 176.82 2hyb s PHE 5039N 0.97 3.39 0.22 10.12 0.40 0.45 -1.87 117.98 131.66 2hyb s PHE 5039Ca -0.01 0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.74 2hyb s PHE 5039Cb -0.15 -2.27 -0.05 0.00 0.51 0.00 0.00 43.02 41.07 2hyb s PHE 5039CO -0.00 0.18 -0.02 -0.47 0.70 0.00 0.00 175.22 175.61 2hyb s TYR 5040N 0.68 1.51 0.00 0.36 5.04 -0.77 -2.12 117.35 122.05 2hyb s TYR 5040Ca 0.11 -0.90 0.00 0.00 -2.44 0.00 0.00 57.07 53.84 2hyb s TYR 5040Cb -0.12 -0.86 0.00 0.00 0.35 0.00 0.00 41.96 41.33 2hyb s TYR 5040CO 0.02 -0.03 0.00 0.72 -1.34 0.00 0.00 175.55 174.92 2hyb n HIS 5041N -0.38 0.00 0.05 4.97 8.25 -1.26 -0.22 115.22 126.62 2hyb n HIS 5041Ca -0.06 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2hyb n HIS 5041Cb 0.63 0.05 0.16 0.00 1.12 0.00 0.00 29.99 31.96 2hyb n HIS 5041CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2hyb n ASP 5042N -1.86 0.16 0.29 0.41 9.92 -1.22 -1.77 116.55 122.48 2hyb n ASP 5042Ca 0.00 0.54 0.17 0.00 -0.53 0.00 0.00 54.79 54.97 2hyb n ASP 5042Cb 0.00 -0.56 0.95 0.00 -0.64 0.00 0.00 41.12 40.87 2hyb n ASP 5042CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2hyb h GLY 5043N 0.00 0.00 2.00 0.44 0.00 -0.59 0.31 103.07 105.22 2hyb h GLY 5043Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hyb h GLY 5043CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 176.54 176.15 2hyb h VAL 5044N 0.00 0.00 0.00 4.60 -1.51 -1.46 -2.48 116.25 115.40 2hyb h VAL 5044Ca 0.01 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 2hyb h VAL 5044Cb 0.09 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 2hyb h VAL 5044CO -0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 2hyb n ASN 5045N -2.71 0.00 -0.68 4.19 5.03 0.09 -2.57 115.26 118.61 2hyb n ASN 5045Ca 0.00 -1.17 0.12 0.00 0.87 0.00 0.00 54.58 54.39 2hyb n ASN 5045Cb 0.20 0.00 0.35 0.00 -1.02 0.00 0.00 39.78 39.31 2hyb n ASN 5045CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2hyb n ASN 5046N -0.74 2.07 -0.59 6.41 3.02 -0.94 -4.05 115.26 120.43 2hyb n ASN 5046Ca 0.09 -1.75 0.05 0.00 -0.03 0.00 0.00 54.58 52.95 2hyb n ASN 5046Cb 0.04 -0.10 0.13 0.00 -0.61 0.00 0.00 39.78 39.24 2hyb n ASN 5046CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2hyb n SER 5047N 0.59 2.71 -4.78 6.41 3.41 -1.06 -4.68 113.62 116.22 2hyb n SER 5047Ca 0.17 -1.89 -0.39 0.00 -0.26 0.00 0.00 58.87 56.50 2hyb n SER 5047Cb 0.41 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 2hyb n SER 5047CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2hyb s THR 5048N -0.98 4.39 -2.30 6.66 -1.32 -1.26 0.03 115.64 120.86 2hyb s THR 5048Ca 0.21 1.66 0.21 0.00 -1.21 0.00 0.00 61.69 62.56 2hyb s THR 5048Cb 0.11 -4.11 0.44 0.00 -1.51 0.00 0.00 72.50 67.43 2hyb s THR 5048CO 0.15 0.50 1.45 -2.11 -2.21 0.00 0.00 174.62 172.40 2hyb n ARG 5049N 1.51 2.14 -0.24 7.08 1.85 0.17 -4.34 116.66 124.82 2hyb n ARG 5049Ca -0.05 -1.73 0.08 0.00 -1.00 0.00 0.00 57.85 55.14 2hyb n ARG 5049Cb 0.49 -1.44 0.21 0.00 -1.05 0.00 0.00 32.46 30.66 2hyb n ARG 5049CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2hyb n LEU 5050N 0.93 2.53 -4.86 2.89 4.77 -1.26 -4.95 117.00 117.05 2hyb n LEU 5050Ca 0.18 -1.26 -0.31 0.00 -0.03 0.00 0.00 56.01 54.58 2hyb n LEU 5050Cb 0.46 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2hyb n LEU 5050CO 0.14 0.63 0.45 0.42 -1.33 0.00 0.00 177.39 177.69 2hyb s THR 5051N -1.38 4.73 -0.42 -5.08 -4.23 -1.26 -5.02 115.64 102.98 2hyb s THR 5051Ca 0.31 0.77 0.07 0.00 -1.18 0.00 0.00 61.69 61.67 2hyb s THR 5051Cb 0.16 -3.69 0.24 0.00 1.34 0.00 0.00 72.50 70.56 2hyb s THR 5051CO 0.21 -0.41 0.58 0.41 -0.54 0.00 0.00 174.62 174.87 2hyb n THR 5052N -0.97 -0.61 -1.57 3.99 -1.04 -1.26 -5.11 114.28 107.71 2hyb n THR 5052Ca 0.03 -3.36 -0.33 0.00 -2.04 0.00 0.00 64.05 58.35 2hyb n THR 5052Cb 0.54 -1.16 0.07 0.00 -1.82 0.00 0.00 70.33 67.95 2hyb n THR 5052CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2hyb s PRO 5053N -0.60 2.43 0.16 -2.82 0.02 -1.26 -4.93 135.00 128.00 2hyb s PRO 5053Ca 0.34 1.55 -0.34 0.00 0.02 0.00 0.00 61.00 62.58 2hyb s PRO 5053Cb 0.16 -1.89 -0.14 0.00 0.02 0.00 0.00 34.50 32.65 2hyb s PRO 5053CO -0.15 -1.56 1.61 -2.30 -0.33 0.00 0.00 177.00 174.27 2hyb n PRO 5054N -2.63 2.25 0.32 5.54 -0.02 -1.26 -4.84 135.00 134.35 2hyb n PRO 5054Ca 0.12 0.81 0.20 0.00 -2.02 0.00 0.00 63.50 62.61 2hyb n PRO 5054Cb 0.51 -2.60 1.08 0.00 -0.02 0.00 0.00 33.50 32.48 2hyb n PRO 5054CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2hyb h GLN 5055N 6.16 0.00 -0.05 -0.52 4.20 -1.96 -1.85 115.11 121.08 2hyb h GLN 5055Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2hyb h GLN 5055Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2hyb h GLN 5055CO 0.90 0.01 0.00 -0.40 -0.67 0.00 0.00 178.83 178.67 2hyb n ASP 5056N -3.37 1.04 -4.37 1.46 3.85 -1.26 -4.86 116.55 109.03 2hyb n ASP 5056Ca -0.03 -1.45 -0.19 0.00 -0.71 0.00 0.00 54.79 52.42 2hyb n ASP 5056Cb 0.09 -0.03 -0.10 0.00 -1.35 0.00 0.00 41.12 39.73 2hyb n ASP 5056CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2hyb s ASP 5057N -1.82 2.00 0.56 -1.12 3.68 -0.70 -5.14 116.67 114.14 2hyb s ASP 5057Ca 0.37 -1.27 -0.20 0.00 2.13 0.00 0.00 52.55 53.58 2hyb s ASP 5057Cb 0.19 -0.02 -0.04 0.00 -1.45 0.00 0.00 42.92 41.60 2hyb s ASP 5057CO 0.30 -0.54 1.26 0.00 0.13 0.00 0.00 175.17 176.33 2hyb s ARG 5058N -3.87 3.11 -0.77 4.34 3.03 -1.26 -4.77 118.95 118.75 2hyb s ARG 5058Ca 0.31 1.98 -0.13 0.00 2.03 0.00 0.00 55.73 59.93 2hyb s ARG 5058Cb 0.06 -2.11 0.20 0.00 -1.03 0.00 0.00 34.95 32.08 2hyb s ARG 5058CO 0.11 -1.14 0.70 -1.58 -1.13 0.00 0.00 175.30 172.27 2hyb s HIS 5059N -1.46 3.67 0.22 5.89 2.46 -1.26 -4.86 115.29 119.95 2hyb s HIS 5059Ca 0.74 -1.99 -0.08 0.00 0.47 0.00 0.00 55.06 54.19 2hyb s HIS 5059Cb -0.34 -3.75 0.33 0.00 -0.13 0.00 0.00 32.58 28.68 2hyb s HIS 5059CO 0.39 -0.98 1.72 0.82 -2.47 0.00 0.00 174.74 174.22 2hyb h ILE 5060N 4.96 0.66 0.04 0.89 2.04 -1.99 0.17 117.51 124.29 2hyb h ILE 5060Ca 0.05 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2hyb h ILE 5060Cb 1.04 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2hyb h ILE 5060CO 0.78 0.06 -0.02 0.58 0.00 0.00 0.00 178.15 179.55 2hyb h VAL 5061N 0.33 1.21 -0.89 1.67 2.07 -1.92 -2.85 116.25 115.87 2hyb h VAL 5061Ca 0.34 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2hyb h VAL 5061Cb 0.49 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 2hyb h VAL 5061CO -0.39 0.21 0.58 0.78 0.02 0.00 0.00 177.57 178.77 2hyb h ASN 5062N -0.42 1.03 -0.17 0.57 2.35 -1.89 -2.29 115.58 114.76 2hyb h ASN 5062Ca -0.01 -0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2hyb h ASN 5062Cb 0.38 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 2hyb h ASN 5062CO 0.01 0.76 -0.15 0.03 -1.65 0.00 0.00 177.43 176.42 2hyb h ARG 5063N 1.21 -0.16 -0.34 0.81 3.08 -0.94 0.12 114.38 118.16 2hyb h ARG 5063Ca 0.33 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.42 2hyb h ARG 5063Cb -0.12 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 2hyb h ARG 5063CO -0.07 -0.11 0.15 -1.49 -1.07 0.00 0.00 179.97 177.38 2hyb h TRP 5064N -0.17 0.27 -0.24 3.04 4.06 -1.22 -0.75 115.95 120.95 2hyb h TRP 5064Ca 0.11 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.10 2hyb h TRP 5064Cb 0.33 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 2hyb h TRP 5064CO -0.29 0.14 0.06 0.00 -3.56 0.00 0.00 178.44 174.79 2hyb h ALA 5065N 1.19 0.26 -0.74 1.49 0.00 -0.86 0.41 119.26 121.01 2hyb h ALA 5065Ca 0.15 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2hyb h ALA 5065Cb 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2hyb h ALA 5065CO -0.12 -0.36 0.44 0.93 0.00 0.00 0.00 179.25 180.14 2hyb h GLU 5066N 0.16 0.79 -0.39 0.00 5.08 -0.31 0.75 114.58 120.66 2hyb h GLU 5066Ca 0.11 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2hyb h GLU 5066Cb 0.10 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2hyb h GLU 5066CO -0.13 0.53 -0.11 1.25 -1.00 0.00 0.00 179.01 179.55 2hyb h LEU 5067N 0.82 0.66 -0.82 1.33 5.85 -0.39 -0.06 115.31 122.71 2hyb h LEU 5067Ca 0.32 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 2hyb h LEU 5067Cb 0.15 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2hyb h LEU 5067CO -0.17 0.80 -0.24 0.00 -0.34 0.00 0.00 178.44 178.49 2hyb h ALA 5068N 1.26 0.99 0.00 1.25 0.00 0.18 -1.86 119.26 121.09 2hyb h ALA 5068Ca 0.11 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2hyb h ALA 5068Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2hyb h ALA 5068CO 0.03 0.59 -0.00 1.49 0.00 0.00 0.00 179.25 181.37 2hyb h GLU 5069N 0.53 -0.00 -0.06 0.00 4.57 0.78 0.13 114.58 120.53 2hyb h GLU 5069Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2hyb h GLU 5069Cb 0.71 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2hyb h GLU 5069CO 0.05 0.49 0.04 0.37 -1.18 0.00 0.00 179.01 178.78 2hyb h GLN 5070N -0.50 0.07 -0.47 1.92 4.15 -0.94 -3.21 115.11 116.13 2hyb h GLN 5070Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2hyb h GLN 5070Cb 0.49 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2hyb h GLN 5070CO 0.00 0.05 0.00 0.66 -1.93 0.00 0.00 178.83 177.61 2hyb n TYR 5071N -5.05 1.20 -3.89 3.99 4.02 -0.71 -4.99 117.16 111.72 2hyb n TYR 5071Ca -0.06 -0.68 -0.27 0.00 -0.01 0.00 0.00 57.90 56.89 2hyb n TYR 5071Cb 0.03 -0.25 -0.01 0.00 -0.02 0.00 0.00 39.34 39.10 2hyb n TYR 5071CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2hyb n GLU 5072N 0.50 -2.95 -2.76 -0.72 1.02 -0.04 -4.94 120.64 110.75 2hyb n GLU 5072Ca 0.22 0.42 -0.34 0.00 -0.02 0.00 0.00 57.16 57.43 2hyb n GLU 5072Cb 0.83 -4.44 -0.06 0.00 -0.02 0.00 0.00 31.44 27.75 2hyb n GLU 5072CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2hyb s LEU 5073N -6.88 4.05 -0.51 -4.62 1.43 -0.78 -5.01 118.68 106.36 2hyb s LEU 5073Ca 0.09 1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 54.80 2hyb s LEU 5073Cb -0.04 -4.38 0.09 0.00 0.03 0.00 0.00 46.19 41.89 2hyb s LEU 5073CO 0.88 -0.33 0.52 -0.62 0.23 0.00 0.00 176.35 177.03 2hyb s ASP 5074N -1.97 6.18 -0.34 2.29 2.15 -1.26 -4.92 116.67 118.80 2hyb s ASP 5074Ca 0.59 -1.34 -0.11 0.00 0.43 0.00 0.00 52.55 52.12 2hyb s ASP 5074Cb -0.13 -2.23 -0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2hyb s ASP 5074CO 0.17 -0.82 0.20 -0.04 -0.17 0.00 0.00 175.17 174.52 2hyb s MET 5075N 2.02 3.30 -0.02 4.34 -1.94 -1.26 -1.98 119.30 123.77 2hyb s MET 5075Ca 0.08 -0.76 0.01 0.00 -1.71 0.00 0.00 55.69 53.30 2hyb s MET 5075Cb -0.24 -3.71 -0.04 0.00 2.01 0.00 0.00 34.83 32.85 2hyb s MET 5075CO 0.07 -0.49 0.02 0.08 -0.01 0.00 0.00 175.02 174.69 2hyb s VAL 5076N 1.65 4.29 -0.19 -6.03 1.01 0.58 -1.94 120.40 119.76 2hyb s VAL 5076Ca 0.05 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2hyb s VAL 5076Cb -0.18 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.33 2hyb s VAL 5076CO 0.08 0.41 -0.17 -0.69 0.00 0.00 0.00 175.10 174.73 2hyb s VAL 5077N -1.07 1.98 0.01 2.92 1.01 -0.57 -0.41 120.40 124.27 2hyb s VAL 5077Ca 0.19 -1.04 -0.33 0.00 0.00 0.00 0.00 61.98 60.81 2hyb s VAL 5077Cb -0.12 -1.88 -0.11 0.00 0.00 0.00 0.00 36.38 34.27 2hyb s VAL 5077CO 0.10 0.39 1.85 0.00 0.00 0.00 0.00 175.10 177.44 2hyb h VAL 5079N 5.08 1.10 -0.65 0.00 3.04 -1.25 0.12 116.25 123.67 2hyb h VAL 5079Ca -0.48 -0.20 0.02 0.00 -1.01 0.00 0.00 66.70 65.03 2hyb h VAL 5079Cb 1.25 0.46 -0.04 0.00 -2.01 0.00 0.00 31.29 30.96 2hyb h VAL 5079CO 0.94 0.11 0.42 0.00 -1.01 0.00 0.00 177.57 178.02 2hyb h ALA 5080N 1.17 0.84 -0.36 3.17 0.00 -1.90 0.17 119.26 122.36 2hyb h ALA 5080Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2hyb h ALA 5080Cb -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2hyb h ALA 5080CO -0.05 0.20 -0.10 0.00 0.00 0.00 0.00 179.25 179.30 2hyb h ALA 5081N 1.27 0.49 -0.56 0.00 0.00 -1.88 -2.71 119.26 115.88 2hyb h ALA 5081Ca 0.25 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2hyb h ALA 5081Cb -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2hyb h ALA 5081CO -0.08 0.36 0.13 0.00 0.00 0.00 0.00 179.25 179.65 2hyb h ALA 5082N 0.81 1.19 -0.62 0.00 0.00 -0.52 -2.08 119.26 118.04 2hyb h ALA 5082Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2hyb h ALA 5082Cb 0.61 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2hyb h ALA 5082CO 0.04 0.56 0.25 1.96 0.00 0.00 0.00 179.25 182.06 2hyb h GLN 5083N 0.83 0.92 -0.02 0.00 4.20 -0.60 0.13 115.11 120.57 2hyb h GLN 5083Ca 0.18 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2hyb h GLN 5083Cb 0.31 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2hyb h GLN 5083CO -0.00 0.77 -0.33 -0.09 -0.67 0.00 0.00 178.83 178.51 2hyb h ARG 5084N 0.86 0.03 0.00 1.46 2.43 -1.13 -3.30 114.38 114.74 2hyb h ARG 5084Ca 0.21 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2hyb h ARG 5084Cb 0.19 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2hyb h ARG 5084CO -0.02 0.36 -0.89 0.54 -1.51 0.00 0.00 179.97 178.46 2hyb n ARG 5085N -4.14 1.92 0.00 0.20 1.74 -0.82 -5.03 116.66 110.53 2hyb n ARG 5085Ca -0.02 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2hyb n ARG 5085Cb 0.38 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 2hyb n ARG 5085CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hyb n GLY 5086N 1.41 1.76 3.47 -0.13 0.00 -0.11 -5.08 105.19 106.50 2hyb n GLY 5086Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2hyb n GLY 5086CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hyb s ILE 5087N -2.00 5.13 -0.09 -0.61 -1.09 -0.36 -4.88 121.20 117.30 2hyb s ILE 5087Ca 0.00 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 2hyb s ILE 5087Cb 0.00 -4.03 -0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2hyb s ILE 5087CO 0.00 -0.43 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.36 2hyb s VAL 5088N 2.01 1.99 0.10 2.92 1.01 -1.26 -4.49 120.40 122.67 2hyb s VAL 5088Ca 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2hyb s VAL 5088Cb -0.18 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.49 2hyb s VAL 5088CO 0.12 0.55 0.07 -0.90 0.00 0.00 0.00 175.10 174.93 2hyb n ASP 5089N 3.47 1.38 0.07 3.32 3.85 -1.26 -1.34 116.55 126.03 2hyb n ASP 5089Ca -0.19 -1.34 -0.15 0.00 -0.71 0.00 0.00 54.79 52.40 2hyb n ASP 5089Cb 0.53 -0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.22 2hyb n ASP 5089CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 2hyb h GLU 5090N 0.00 -0.61 0.16 0.11 4.57 -1.98 -1.24 114.58 115.60 2hyb h GLU 5090Ca -0.06 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2hyb h GLU 5090Cb 0.23 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 2hyb h GLU 5090CO 0.10 -0.41 -0.46 0.78 -1.18 0.00 0.00 179.01 177.85 2hyb h GLY 5091N -0.63 -1.18 -0.02 1.92 0.00 -1.99 -2.14 103.07 99.02 2hyb h GLY 5091Ca 0.03 0.62 0.15 0.00 0.00 0.00 0.00 47.33 48.13 2hyb h GLY 5091CO -0.33 -0.31 0.15 0.83 0.00 0.00 0.00 176.54 176.89 2hyb h GLU 5092N -0.69 0.25 -0.57 4.80 4.39 -1.92 0.84 114.58 121.68 2hyb h GLU 5092Ca -0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2hyb h GLU 5092Cb 0.68 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 2hyb h GLU 5092CO -0.21 0.17 0.32 0.00 -1.16 0.00 0.00 179.01 178.12 2hyb h ALA 5093N 1.58 1.50 0.02 3.43 0.00 -0.99 0.37 119.26 125.18 2hyb h ALA 5093Ca 0.39 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 2hyb h ALA 5093Cb 0.64 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2hyb h ALA 5093CO -0.49 0.42 -0.58 1.03 0.00 0.00 0.00 179.25 179.63 2hyb h SER 5094N 0.78 0.47 -0.30 0.00 0.87 -0.47 -0.39 113.55 114.51 2hyb h SER 5094Ca 0.20 -0.80 -0.15 0.00 -1.23 0.00 0.00 61.79 59.81 2hyb h SER 5094Cb 0.00 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2hyb h SER 5094CO -0.04 1.21 -0.40 0.03 -0.53 0.00 0.00 176.83 177.11 2hyb h ARG 5095N -0.22 0.80 0.00 2.24 3.08 -0.70 -3.22 114.38 116.35 2hyb h ARG 5095Ca -0.08 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2hyb h ARG 5095Cb 1.33 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.41 2hyb h ARG 5095CO 0.11 1.09 -0.60 0.09 -1.07 0.00 0.00 179.97 179.59 2hyb n ASN 5096N -4.14 0.57 -2.72 7.04 5.03 0.13 -5.00 115.26 116.16 2hyb n ASN 5096Ca -0.04 -0.25 -0.06 0.00 0.87 0.00 0.00 54.58 55.10 2hyb n ASN 5096Cb 0.54 0.34 0.03 0.00 -1.02 0.00 0.00 39.78 39.68 2hyb n ASN 5096CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2hyb n GLY 5097N 1.47 -0.77 3.67 7.41 0.00 -0.26 -5.02 105.19 111.68 2hyb n GLY 5097Ca 0.05 0.33 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 2hyb n GLY 5097CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hyb s LYS 5098N -3.59 2.39 -0.04 1.61 -0.14 -0.59 -5.02 119.74 114.36 2hyb s LYS 5098Ca 0.20 -1.24 0.12 0.00 -1.36 0.00 0.00 55.97 53.68 2hyb s LYS 5098Cb -0.03 -2.28 0.42 0.00 -1.68 0.00 0.00 37.83 34.26 2hyb s LYS 5098CO 0.55 0.41 1.31 -0.40 -0.76 0.00 0.00 175.35 176.45 2hyb n ASP 5099N -0.56 2.77 -3.56 2.83 5.68 -1.26 -4.78 116.55 117.68 2hyb n ASP 5099Ca -0.08 -2.15 -0.06 0.00 -0.50 0.00 0.00 54.79 51.99 2hyb n ASP 5099Cb 0.57 -0.38 -0.02 0.00 -1.14 0.00 0.00 41.12 40.15 2hyb n ASP 5099CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hyb s ALA 5100N -1.58 -1.96 0.25 2.12 0.00 -1.26 -5.17 121.76 114.16 2hyb s ALA 5100Ca 0.30 1.35 0.11 0.00 0.00 0.00 0.00 51.96 53.73 2hyb s ALA 5100Cb 0.18 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 2hyb s ALA 5100CO 0.17 -0.61 -0.18 0.95 0.00 0.00 0.00 175.76 176.09 2hyb s THR 5101N -2.62 2.60 0.00 0.00 -4.23 -1.26 -4.83 115.64 105.30 2hyb s THR 5101Ca 0.07 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 2hyb s THR 5101Cb -0.01 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2hyb s THR 5101CO -0.06 -0.30 0.01 -0.46 -0.54 0.00 0.00 174.62 173.27 2hyb n ASN 5102N -0.36 0.02 -4.76 3.99 6.94 -0.45 -4.99 115.26 115.65 2hyb n ASN 5102Ca -0.08 -0.40 -0.37 0.00 -0.02 0.00 0.00 54.58 53.71 2hyb n ASN 5102Cb 0.58 0.03 0.01 0.00 -2.36 0.00 0.00 39.78 38.05 2hyb n ASN 5102CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2hyb s ILE 5103N -0.03 2.74 -0.06 1.53 2.07 -1.01 0.43 121.20 126.87 2hyb s ILE 5103Ca 0.00 0.54 -0.27 0.00 -1.41 0.00 0.00 60.65 59.52 2hyb s ILE 5103Cb 0.00 -3.27 -0.03 0.00 0.13 0.00 0.00 42.46 39.29 2hyb s ILE 5103CO 0.00 -0.02 0.85 -2.28 -1.91 0.00 0.00 174.94 171.58 2hyb s HIS 5104N -1.48 3.58 0.57 3.50 5.65 0.10 -4.51 115.29 122.71 2hyb s HIS 5104Ca 0.68 1.45 0.33 0.00 0.25 0.00 0.00 55.06 57.77 2hyb s HIS 5104Cb -0.32 -2.99 1.40 0.00 -1.18 0.00 0.00 32.58 29.49 2hyb s HIS 5104CO 0.38 -0.02 1.69 -1.00 -0.65 0.00 0.00 174.74 175.14 2hyb h PRO 5105N 6.89 0.00 0.00 2.88 0.13 -1.94 0.15 132.00 140.11 2hyb h PRO 5105Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2hyb h PRO 5105Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2hyb h PRO 5105CO 0.77 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.17 2hyb n LYS 5106N -3.79 0.21 -4.39 0.86 4.76 -1.26 -4.73 118.16 109.82 2hyb n LYS 5106Ca 0.22 0.11 -0.30 0.00 -2.87 0.00 0.00 58.31 55.47 2hyb n LYS 5106Cb 1.21 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.79 2hyb n LYS 5106CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2hyb s PHE 5107N -2.69 2.59 -0.04 2.13 0.40 0.04 -4.56 117.98 115.84 2hyb s PHE 5107Ca 0.17 -0.24 0.05 0.00 -0.60 0.00 0.00 56.93 56.31 2hyb s PHE 5107Cb 0.14 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 42.26 2hyb s PHE 5107CO 0.33 0.36 -0.18 -0.98 0.70 0.00 0.00 175.22 175.44 2hyb s ARG 5108N -1.94 1.87 0.18 0.44 1.70 -0.82 -4.78 118.95 115.60 2hyb s ARG 5108Ca 0.18 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.49 2hyb s ARG 5108Cb -0.11 -1.62 -0.08 0.00 -0.57 0.00 0.00 34.95 32.58 2hyb s ARG 5108CO 0.09 0.26 0.96 0.42 -1.08 0.00 0.00 175.30 175.95 2hyb s ILE 5109N 0.01 4.23 0.37 4.99 1.01 -1.26 -1.51 121.20 129.04 2hyb s ILE 5109Ca -0.04 2.05 -0.07 0.00 0.00 0.00 0.00 60.65 62.59 2hyb s ILE 5109Cb -0.12 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.08 2hyb s ILE 5109CO 0.02 0.41 0.62 -0.55 0.00 0.00 0.00 174.94 175.44 2hyb s SER 5110N -0.62 0.61 0.48 3.58 0.15 -0.60 -4.89 113.70 112.41 2hyb s SER 5110Ca 0.44 -1.39 -0.09 0.00 0.70 0.00 0.00 55.95 55.62 2hyb s SER 5110Cb -0.25 0.76 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 2hyb s SER 5110CO 0.31 -1.49 0.83 -0.83 1.20 0.00 0.00 173.24 173.26 2hyb s GLY 5111N -3.18 1.70 0.60 9.45 0.00 -1.26 -0.69 107.32 113.94 2hyb s GLY 5111Ca 0.25 -0.30 0.29 0.00 0.00 0.00 0.00 44.72 44.96 2hyb s GLY 5111CO 0.17 -0.10 2.04 -2.00 0.00 0.00 0.00 173.10 173.21 2hyb h LEU 5112N 0.52 0.00 -2.37 0.66 5.85 -1.96 -0.32 115.31 117.69 2hyb h LEU 5112Ca -0.47 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.28 2hyb h LEU 5112Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2hyb h LEU 5112CO 0.62 0.00 0.16 1.23 -0.34 0.00 0.00 178.44 180.11 2hyb h GLY 5113N 0.00 0.00 2.00 3.75 0.00 -2.00 -0.21 103.07 106.61 2hyb h GLY 5113Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 2hyb h GLY 5113CO -0.00 0.00 -0.32 1.46 0.00 0.00 0.00 176.54 177.68 2hyb h GLN 5114N 0.00 0.00 0.57 4.80 1.08 -1.43 0.68 115.11 120.80 2hyb h GLN 5114Ca 0.05 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2hyb h GLN 5114Cb 0.36 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2hyb h GLN 5114CO -0.00 0.32 -0.27 1.25 -0.95 0.00 0.00 178.83 179.18 2hyb h LEU 5115N 0.00 -0.64 -0.70 1.46 5.85 -1.21 -1.75 115.31 118.31 2hyb h LEU 5115Ca -0.00 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.85 2hyb h LEU 5115Cb 0.81 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 2hyb h LEU 5115CO 0.04 -0.25 0.31 0.58 -0.34 0.00 0.00 178.44 178.79 2hyb h VAL 5116N -1.18 0.77 -0.77 1.05 2.07 -1.53 0.12 116.25 116.78 2hyb h VAL 5116Ca -0.08 -0.18 0.15 0.00 0.82 0.00 0.00 66.70 67.41 2hyb h VAL 5116Cb 0.58 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.47 2hyb h VAL 5116CO 0.13 0.09 0.32 -0.08 0.02 0.00 0.00 177.57 178.05 2hyb h GLU 5117N 0.52 0.45 -0.30 1.57 4.22 -0.83 -0.89 114.58 119.32 2hyb h GLU 5117Ca 0.36 -0.03 -0.13 0.00 0.08 0.00 0.00 59.36 59.64 2hyb h GLU 5117Cb 0.45 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2hyb h GLU 5117CO -0.32 0.30 -0.32 0.00 -2.18 0.00 0.00 179.01 176.49 2hyb h ALA 5118N 1.56 0.45 -0.86 2.92 0.00 0.11 -2.62 119.26 120.82 2hyb h ALA 5118Ca 0.43 -0.42 0.19 0.00 0.00 0.00 0.00 54.91 55.10 2hyb h ALA 5118Cb 0.65 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2hyb h ALA 5118CO -0.41 0.49 0.57 0.00 0.00 0.00 0.00 179.25 179.91 2hyb h ALA 5119N 0.71 2.18 0.10 0.00 0.00 0.23 0.12 119.26 122.60 2hyb h ALA 5119Ca 0.05 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 2hyb h ALA 5119Cb 0.90 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.68 2hyb h ALA 5119CO 0.08 -0.44 -0.85 0.82 0.00 0.00 0.00 179.25 178.86 2hyb h ILE 5120N 0.41 1.44 -0.08 0.00 2.04 -1.21 -3.36 117.51 116.76 2hyb h ILE 5120Ca 0.44 -2.39 -0.18 0.00 1.00 0.00 0.00 64.86 63.73 2hyb h ILE 5120Cb 1.07 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 40.07 2hyb h ILE 5120CO -0.16 0.69 -0.71 1.56 0.00 0.00 0.00 178.15 179.54 2hyb h GLN 5121N -0.16 0.37 -7.00 2.37 1.08 -0.99 -3.46 115.11 107.31 2hyb h GLN 5121Ca -0.13 -0.29 -0.48 0.00 -1.45 0.00 0.00 58.65 56.29 2hyb h GLN 5121Cb 1.61 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.10 2hyb h GLN 5121CO 0.16 0.93 0.24 0.00 -0.95 0.00 0.00 178.83 179.22 2hyb s ALA 5122N -3.63 3.20 0.13 3.87 0.00 0.36 -4.93 121.76 120.75 2hyb s ALA 5122Ca -0.05 0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.02 2hyb s ALA 5122Cb 0.11 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 2hyb s ALA 5122CO 0.83 -0.07 1.34 -0.44 0.00 0.00 0.00 175.76 177.43 2hyb h ASP 5123N 1.25 0.00 -4.05 0.00 3.32 0.09 -3.46 116.42 113.57 2hyb h ASP 5123Ca -0.47 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.29 2hyb h ASP 5123Cb 1.18 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 2hyb h ASP 5123CO 0.63 0.91 -0.74 -0.13 -1.72 0.00 0.00 179.24 178.19 2hyb s ARG 5124N -2.86 0.33 -0.33 3.56 1.81 -0.95 -5.00 118.95 115.52 2hyb s ARG 5124Ca 0.01 -0.25 0.01 0.00 -1.72 0.00 0.00 55.73 53.78 2hyb s ARG 5124Cb 0.10 -0.27 0.08 0.00 -0.45 0.00 0.00 34.95 34.42 2hyb s ARG 5124CO 0.81 0.07 0.03 -1.17 -0.68 0.00 0.00 175.30 174.36 2hyb s LEU 5125N -0.38 4.39 -0.31 2.53 2.96 -1.26 -1.06 118.68 125.54 2hyb s LEU 5125Ca -0.01 -1.77 -0.11 0.00 -0.22 0.00 0.00 54.13 52.01 2hyb s LEU 5125Cb -0.03 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 2hyb s LEU 5125CO -0.00 -0.35 0.19 -0.69 -1.32 0.00 0.00 176.35 174.18 2hyb s VAL 5126N 1.07 5.01 -0.21 1.68 1.01 -0.61 -5.00 120.40 123.35 2hyb s VAL 5126Ca 0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 2hyb s VAL 5126Cb -0.20 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2hyb s VAL 5126CO -0.05 0.10 0.12 -0.69 0.00 0.00 0.00 175.10 174.58 2hyb s VAL 5127N 1.69 5.23 -0.25 2.92 1.01 -1.26 -1.87 120.40 127.87 2hyb s VAL 5127Ca 0.06 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 2hyb s VAL 5127Cb -0.17 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.84 2hyb s VAL 5127CO 0.09 0.41 -0.07 -0.36 0.00 0.00 0.00 175.10 175.16 2hyb s PHE 5128N 0.65 3.09 0.00 5.22 0.40 0.25 -4.97 117.98 122.61 2hyb s PHE 5128Ca 0.07 -1.69 0.00 0.00 -0.60 0.00 0.00 56.93 54.71 2hyb s PHE 5128Cb -0.12 -2.04 0.00 0.00 0.51 0.00 0.00 43.02 41.37 2hyb s PHE 5128CO 0.01 -0.76 0.00 0.41 0.70 0.00 0.00 175.22 175.58 2hyb n GLY 5129N 4.63 4.87 0.74 4.36 0.00 -1.26 -1.26 105.19 117.27 2hyb n GLY 5129Ca -0.16 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.12 2hyb n GLY 5129CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66