#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vg8 s LEU 4008N 0.00 4.05 -0.26 1.34 0.20 -1.26 -1.95 118.68 120.80 1vg8 s LEU 4008Ca 0.00 0.04 -0.10 0.00 0.69 0.00 0.00 54.13 54.76 1vg8 s LEU 4008Cb 0.00 -2.11 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 1vg8 s LEU 4008CO 0.00 -0.00 0.15 -0.76 -0.29 0.00 0.00 176.35 175.44 1vg8 s LEU 4009N 1.47 3.87 -0.24 -0.68 1.43 0.33 -4.98 118.68 119.88 1vg8 s LEU 4009Ca 0.07 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 1vg8 s LEU 4009Cb -0.15 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1vg8 s LEU 4009CO 0.08 -0.02 0.26 -0.75 0.23 0.00 0.00 176.35 176.16 1vg8 s LYS 4010N 1.55 4.08 -0.06 1.70 2.20 -1.26 -0.08 119.74 127.88 1vg8 s LYS 4010Ca 0.07 -0.09 0.06 0.00 -0.36 0.00 0.00 55.97 55.65 1vg8 s LYS 4010Cb -0.15 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 1vg8 s LYS 4010CO 0.08 -0.04 -0.25 0.08 -0.36 0.00 0.00 175.35 174.86 1vg8 s VAL 4011N 1.33 2.05 -0.10 4.02 1.01 0.09 -0.06 120.40 128.75 1vg8 s VAL 4011Ca 0.12 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1vg8 s VAL 4011Cb -0.14 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1vg8 s VAL 4011CO 0.07 0.57 -0.18 -0.63 0.00 0.00 0.00 175.10 174.93 1vg8 s ILE 4012N -0.16 2.64 -0.19 2.22 -1.09 -0.61 -0.65 121.20 123.37 1vg8 s ILE 4012Ca -0.04 -0.82 -0.05 0.00 -2.23 0.00 0.00 60.65 57.51 1vg8 s ILE 4012Cb -0.14 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1vg8 s ILE 4012CO 0.04 0.55 0.00 -0.63 -1.23 0.00 0.00 174.94 173.67 1vg8 s ILE 4013N 0.14 4.05 0.16 2.92 1.01 -0.23 -0.34 121.20 128.90 1vg8 s ILE 4013Ca -0.09 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.35 1vg8 s ILE 4013Cb -0.15 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1vg8 s ILE 4013CO 0.06 0.44 -0.16 -0.76 0.00 0.00 0.00 174.94 174.51 1vg8 s LEU 4014N 0.87 2.45 0.00 2.97 1.43 -0.03 -3.75 118.68 122.62 1vg8 s LEU 4014Ca 0.01 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1vg8 s LEU 4014Cb -0.14 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1vg8 s LEU 4014CO 0.02 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1vg8 n GLY 4015N 0.23 3.52 3.60 -3.19 0.00 -1.26 -1.19 105.19 106.90 1vg8 n GLY 4015Ca -0.13 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 1vg8 n GLY 4015CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vg8 n ASP 4016N 0.00 0.07 -4.76 1.61 10.43 -1.26 -4.28 116.55 118.37 1vg8 n ASP 4016Ca 0.00 0.54 -0.41 0.00 2.57 0.00 0.00 54.79 57.49 1vg8 n ASP 4016Cb 0.00 -1.40 -0.01 0.00 1.84 0.00 0.00 41.12 41.54 1vg8 n ASP 4016CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1vg8 s SER 4017N -1.99 6.49 0.00 -2.24 0.15 -1.25 -2.87 113.70 111.98 1vg8 s SER 4017Ca 0.69 2.87 0.00 0.00 0.70 0.00 0.00 55.95 60.21 1vg8 s SER 4017Cb -0.29 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.38 1vg8 s SER 4017CO 0.55 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1vg8 n GLY 4018N 1.47 1.20 0.23 9.45 0.00 -1.26 -4.94 105.19 111.34 1vg8 n GLY 4018Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 1vg8 n GLY 4018CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1vg8 h VAL 4019N 0.00 0.00 0.00 1.61 -1.51 -1.89 -3.47 116.25 110.99 1vg8 h VAL 4019Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1vg8 h VAL 4019Cb 0.00 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1vg8 h VAL 4019CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1vg8 n GLY 4020N 0.15 1.53 0.14 5.19 0.00 -1.26 -4.63 105.19 106.31 1vg8 n GLY 4020Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1vg8 n GLY 4020CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vg8 h LYS 4021N 0.52 -0.05 -0.48 1.61 1.57 -1.90 0.21 116.57 118.05 1vg8 h LYS 4021Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1vg8 h LYS 4021Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1vg8 h LYS 4021CO 0.00 -0.03 -0.13 1.15 -0.57 0.00 0.00 179.45 179.87 1vg8 h THR 4022N -0.05 1.27 -0.54 -0.16 2.02 -1.96 -1.62 112.91 111.87 1vg8 h THR 4022Ca 0.11 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 1vg8 h THR 4022Cb 0.21 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1vg8 h THR 4022CO -0.24 0.43 0.22 0.28 0.37 0.00 0.00 175.52 176.58 1vg8 h SER 4023N 0.80 0.73 -0.54 4.18 0.02 -1.88 0.66 113.55 117.52 1vg8 h SER 4023Ca 0.13 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1vg8 h SER 4023Cb 0.66 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1vg8 h SER 4023CO 0.05 0.69 0.18 -0.07 -1.14 0.00 0.00 176.83 176.54 1vg8 h LEU 4024N 0.73 0.77 -0.42 5.07 3.38 -0.32 0.84 115.31 125.35 1vg8 h LEU 4024Ca 0.18 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1vg8 h LEU 4024Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1vg8 h LEU 4024CO -0.02 0.76 0.05 -0.03 0.09 0.00 0.00 178.44 179.29 1vg8 h MET 4025N 0.74 0.71 -0.03 1.13 4.05 -1.03 -1.55 114.93 118.95 1vg8 h MET 4025Ca 0.17 -0.20 -0.12 0.00 -0.28 0.00 0.00 59.70 59.27 1vg8 h MET 4025Cb 0.25 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1vg8 h MET 4025CO -0.01 0.76 -0.55 -0.91 0.23 0.00 0.00 176.91 176.42 1vg8 h ASN 4026N 0.56 0.08 -0.20 1.39 -0.26 -0.70 0.14 115.58 116.58 1vg8 h ASN 4026Ca 0.13 -0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.78 1vg8 h ASN 4026Cb 0.40 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 1vg8 h ASN 4026CO 0.01 0.62 -0.03 -0.61 -1.06 0.00 0.00 177.43 176.36 1vg8 h GLN 4027N 0.06 0.38 -0.25 0.81 5.75 -0.67 0.15 115.11 121.34 1vg8 h GLN 4027Ca -0.00 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.32 1vg8 h GLN 4027Cb 1.00 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 1vg8 h GLN 4027CO 0.08 0.61 0.01 -0.92 -2.65 0.00 0.00 178.83 175.96 1vg8 h TYR 4028N 0.12 0.47 0.19 3.99 3.20 -1.18 -1.14 116.97 122.62 1vg8 h TYR 4028Ca 0.05 -0.08 -0.31 0.00 3.14 0.00 0.00 58.73 61.54 1vg8 h TYR 4028Cb 0.45 -0.12 0.02 0.00 1.54 0.00 0.00 36.73 38.62 1vg8 h TYR 4028CO 0.04 0.58 -1.43 0.28 -1.64 0.00 0.00 178.16 176.00 1vg8 h VAL 4029N 0.22 1.31 -0.01 1.81 2.07 -0.74 -3.39 116.25 117.52 1vg8 h VAL 4029Ca 0.07 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.77 1vg8 h VAL 4029Cb 0.39 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1vg8 h VAL 4029CO 0.01 0.85 0.00 0.59 0.02 0.00 0.00 177.57 179.04 1vg8 n ASN 4030N -3.61 1.21 -3.97 0.57 5.03 0.47 -5.02 115.26 109.94 1vg8 n ASN 4030Ca -0.15 -1.15 -0.26 0.00 0.87 0.00 0.00 54.58 53.89 1vg8 n ASN 4030Cb 1.07 -0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.81 1vg8 n ASN 4030CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1vg8 n LYS 4031N 0.02 -3.34 -3.96 3.52 5.02 -0.43 -4.96 118.16 114.03 1vg8 n LYS 4031Ca 0.01 0.41 -0.10 0.00 -2.02 0.00 0.00 58.31 56.61 1vg8 n LYS 4031Cb 0.06 -4.59 -0.11 0.00 -0.02 0.00 0.00 35.03 30.36 1vg8 n LYS 4031CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1vg8 s LYS 4032N -6.57 0.27 0.00 1.97 -2.85 -1.19 -4.98 119.74 106.38 1vg8 s LYS 4032Ca 0.06 -0.51 -0.01 0.00 -1.00 0.00 0.00 55.97 54.52 1vg8 s LYS 4032Cb -0.03 0.10 -0.01 0.00 -2.06 0.00 0.00 37.83 35.83 1vg8 s LYS 4032CO 0.89 -0.04 0.00 0.12 0.10 0.00 0.00 175.35 176.42 1vg8 s PHE 4033N -1.24 0.07 -0.02 1.78 5.36 -1.26 -3.22 117.98 119.46 1vg8 s PHE 4033Ca -0.14 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 55.72 1vg8 s PHE 4033Cb -0.08 -0.06 -0.00 0.00 -0.34 0.00 0.00 43.02 42.53 1vg8 s PHE 4033CO -0.01 -0.07 -0.11 0.45 -1.46 0.00 0.00 175.22 174.02 1vg8 s SER 4034N -0.50 1.35 0.49 6.13 0.15 -1.26 -5.01 113.70 115.05 1vg8 s SER 4034Ca -0.06 -0.21 0.28 0.00 0.70 0.00 0.00 55.95 56.66 1vg8 s SER 4034Cb -0.03 -0.25 0.79 0.00 -1.71 0.00 0.00 66.02 64.82 1vg8 s SER 4034CO -0.00 0.11 1.77 0.78 1.20 0.00 0.00 173.24 177.11 1vg8 h ASN 4035N 6.09 0.00 -3.13 5.45 2.35 -2.02 -3.45 115.58 120.87 1vg8 h ASN 4035Ca -0.33 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.89 1vg8 h ASN 4035Cb 1.17 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.55 1vg8 h ASN 4035CO 0.49 0.01 0.63 -1.58 -1.65 0.00 0.00 177.43 175.33 1vg8 s GLN 4036N -3.41 4.39 -0.11 0.81 0.74 -1.26 -5.01 119.66 115.80 1vg8 s GLN 4036Ca 0.04 1.91 -0.19 0.00 0.05 0.00 0.00 55.36 57.17 1vg8 s GLN 4036Cb 0.07 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.84 1vg8 s GLN 4036CO 0.61 -0.33 0.53 -0.47 -0.55 0.00 0.00 175.29 175.09 1vg8 s TYR 4037N 1.00 3.52 -0.20 1.67 6.04 -1.26 -5.04 117.35 123.08 1vg8 s TYR 4037Ca 0.61 0.97 -0.02 0.00 0.04 0.00 0.00 57.07 58.68 1vg8 s TYR 4037Cb -0.33 -2.62 0.06 0.00 -1.04 0.00 0.00 41.96 38.03 1vg8 s TYR 4037CO 0.30 0.14 0.01 0.21 -1.54 0.00 0.00 175.55 174.67 1vg8 s LYS 4038N 0.70 0.94 0.26 4.97 2.36 -1.26 -5.11 119.74 122.61 1vg8 s LYS 4038Ca 0.29 -0.56 -0.30 0.00 -2.55 0.00 0.00 55.97 52.84 1vg8 s LYS 4038Cb -0.16 -2.20 -0.13 0.00 -1.05 0.00 0.00 37.83 34.29 1vg8 s LYS 4038CO 0.12 -0.61 1.39 0.00 1.55 0.00 0.00 175.35 177.80 1vg8 n ALA 4039N 4.94 1.25 -2.38 3.13 0.00 -1.26 -4.97 120.51 121.23 1vg8 n ALA 4039Ca -0.10 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 1vg8 n ALA 4039Cb 0.46 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.59 1vg8 n ALA 4039CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1vg8 s THR 4040N -0.27 4.65 -0.16 0.00 2.01 -1.26 -5.05 115.64 115.56 1vg8 s THR 4040Ca 0.65 1.87 -0.03 0.00 0.31 0.00 0.00 61.69 64.49 1vg8 s THR 4040Cb -0.62 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 67.64 1vg8 s THR 4040CO 0.52 0.32 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.09 1vg8 s ILE 4041N 0.10 3.65 0.00 1.82 -1.09 -1.26 -4.38 121.20 120.04 1vg8 s ILE 4041Ca 0.44 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1vg8 s ILE 4041Cb -0.22 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 1vg8 s ILE 4041CO 0.26 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 175.07 1vg8 n GLY 4042N 3.75 0.86 3.09 6.18 0.00 0.61 -4.81 105.19 114.88 1vg8 n GLY 4042Ca -0.18 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1vg8 n GLY 4042CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vg8 s ALA 4043N -1.75 -0.47 0.27 4.61 0.00 -1.26 -1.71 121.76 121.44 1vg8 s ALA 4043Ca 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 51.96 52.16 1vg8 s ALA 4043Cb 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.93 1vg8 s ALA 4043CO 0.00 -0.12 0.76 0.34 0.00 0.00 0.00 175.76 176.73 1vg8 s ASP 4044N -0.26 -0.24 0.12 0.00 3.68 -1.04 -5.01 116.67 113.92 1vg8 s ASP 4044Ca -0.04 -0.61 0.04 0.00 2.13 0.00 0.00 52.55 54.07 1vg8 s ASP 4044Cb -0.03 0.70 -0.04 0.00 -1.45 0.00 0.00 42.92 42.10 1vg8 s ASP 4044CO 0.01 -1.30 -0.10 0.72 0.13 0.00 0.00 175.17 174.63 1vg8 s PHE 4045N -3.75 1.12 0.16 -5.34 -0.12 -1.26 -0.89 117.98 107.90 1vg8 s PHE 4045Ca 0.11 -0.74 0.10 0.00 -0.05 0.00 0.00 56.93 56.35 1vg8 s PHE 4045Cb -0.05 -0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 1vg8 s PHE 4045CO 0.07 0.01 -0.16 -0.51 -0.05 0.00 0.00 175.22 174.58 1vg8 s LEU 4046N -2.85 2.74 0.05 -1.99 1.43 -0.49 -4.93 118.68 112.63 1vg8 s LEU 4046Ca 0.11 -0.65 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 1vg8 s LEU 4046Cb 0.01 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 1vg8 s LEU 4046CO -0.01 0.13 -0.26 -0.89 0.23 0.00 0.00 176.35 175.56 1vg8 s THR 4047N -1.52 2.09 -0.03 5.49 2.01 -1.26 -0.52 115.64 121.91 1vg8 s THR 4047Ca 0.22 -1.38 -0.01 0.00 0.31 0.00 0.00 61.69 60.83 1vg8 s THR 4047Cb -0.09 -1.79 0.02 0.00 0.01 0.00 0.00 72.50 70.65 1vg8 s THR 4047CO 0.12 0.35 0.06 -0.75 -0.69 0.00 0.00 174.62 173.71 1vg8 s LYS 4048N -1.25 0.02 -0.09 4.92 2.20 -0.13 -4.97 119.74 120.45 1vg8 s LYS 4048Ca 0.11 0.19 -0.24 0.00 -0.36 0.00 0.00 55.97 55.67 1vg8 s LYS 4048Cb -0.10 -0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.04 1vg8 s LYS 4048CO 0.02 -0.12 0.75 -1.21 -0.36 0.00 0.00 175.35 174.44 1vg8 s GLU 4049N 0.76 4.41 0.07 4.03 0.41 -1.26 -0.42 118.70 126.70 1vg8 s GLU 4049Ca -0.06 0.95 -0.01 0.00 -0.41 0.00 0.00 54.97 55.44 1vg8 s GLU 4049Cb -0.09 -3.48 -0.04 0.00 -1.78 0.00 0.00 34.13 28.74 1vg8 s GLU 4049CO -0.03 -0.04 -0.01 0.54 -0.49 0.00 0.00 175.26 175.23 1vg8 s VAL 4050N 1.13 0.24 -0.26 2.63 0.11 -0.66 -4.97 120.40 118.62 1vg8 s VAL 4050Ca 0.39 -1.85 -0.06 0.00 -2.93 0.00 0.00 61.98 57.53 1vg8 s VAL 4050Cb -0.18 -1.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.00 1vg8 s VAL 4050CO 0.18 -0.86 0.05 -0.32 -3.33 0.00 0.00 175.10 170.81 1vg8 s MET 4051N -3.94 3.42 -0.30 1.54 1.75 -1.26 -1.47 119.30 119.03 1vg8 s MET 4051Ca 0.11 -0.63 -0.03 0.00 -1.25 0.00 0.00 55.69 53.90 1vg8 s MET 4051Cb 0.08 -3.27 0.04 0.00 2.84 0.00 0.00 34.83 34.52 1vg8 s MET 4051CO -0.07 -0.27 0.02 0.14 -0.65 0.00 0.00 175.02 174.19 1vg8 s VAL 4052N 1.55 3.17 -1.41 10.11 -7.23 0.37 -4.64 120.40 122.33 1vg8 s VAL 4052Ca 0.05 -1.26 -0.05 0.00 -1.81 0.00 0.00 61.98 58.92 1vg8 s VAL 4052Cb -0.16 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1vg8 s VAL 4052CO 0.02 -0.07 0.34 0.47 -0.31 0.00 0.00 175.10 175.54 1vg8 n ASP 4053N 4.68 -0.63 -3.48 4.85 8.00 -1.26 -1.59 116.55 127.12 1vg8 n ASP 4053Ca -0.14 -1.12 -0.24 0.00 0.71 0.00 0.00 54.79 54.01 1vg8 n ASP 4053Cb 0.44 -2.51 0.07 0.00 -0.02 0.00 0.00 41.12 39.10 1vg8 n ASP 4053CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1vg8 n ASP 4054N -2.86 -6.36 -3.96 -2.24 8.00 -1.26 -5.03 116.55 102.83 1vg8 n ASP 4054Ca -0.28 -0.49 -0.17 0.00 0.71 0.00 0.00 54.79 54.56 1vg8 n ASP 4054Cb 0.67 -5.03 -0.15 0.00 -0.02 0.00 0.00 41.12 36.59 1vg8 n ASP 4054CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1vg8 s ARG 4055N -6.19 0.57 -0.11 -1.24 3.52 -0.62 -5.13 118.95 109.74 1vg8 s ARG 4055Ca 0.53 -0.21 -0.21 0.00 -0.13 0.00 0.00 55.73 55.71 1vg8 s ARG 4055Cb -0.23 -0.56 -0.04 0.00 -1.56 0.00 0.00 34.95 32.56 1vg8 s ARG 4055CO 0.66 0.10 0.60 -1.17 -0.81 0.00 0.00 175.30 174.67 1vg8 s LEU 4056N 0.03 4.27 0.09 -0.88 2.96 -1.26 -0.48 118.68 123.41 1vg8 s LEU 4056Ca 0.00 0.97 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 1vg8 s LEU 4056Cb -0.05 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 1vg8 s LEU 4056CO -0.00 -0.10 -0.09 0.68 -1.32 0.00 0.00 176.35 175.52 1vg8 s VAL 4057N 0.92 0.81 -0.25 1.68 -7.23 -0.54 -4.66 120.40 111.13 1vg8 s VAL 4057Ca 0.31 -1.62 -0.09 0.00 -1.81 0.00 0.00 61.98 58.77 1vg8 s VAL 4057Cb -0.16 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 1vg8 s VAL 4057CO 0.14 -0.61 0.14 -0.89 -0.31 0.00 0.00 175.10 173.56 1vg8 s THR 4058N -2.55 4.98 -0.16 5.32 2.01 -0.82 -1.66 115.64 122.76 1vg8 s THR 4058Ca 0.04 0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.93 1vg8 s THR 4058Cb -0.02 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1vg8 s THR 4058CO -0.01 0.32 0.41 -0.04 -0.69 0.00 0.00 174.62 174.61 1vg8 s MET 4059N 1.42 4.25 -0.44 4.92 -1.94 0.44 -0.51 119.30 127.44 1vg8 s MET 4059Ca 0.06 0.28 -0.10 0.00 -1.71 0.00 0.00 55.69 54.23 1vg8 s MET 4059Cb -0.15 -3.48 0.09 0.00 2.01 0.00 0.00 34.83 33.30 1vg8 s MET 4059CO 0.06 0.08 0.29 -1.14 -0.01 0.00 0.00 175.02 174.30 1vg8 s GLN 4060N 0.93 2.61 -0.32 2.03 0.74 0.89 -0.96 119.66 125.59 1vg8 s GLN 4060Ca 0.21 -1.52 -0.11 0.00 0.05 0.00 0.00 55.36 53.99 1vg8 s GLN 4060Cb -0.15 -3.85 -0.01 0.00 1.10 0.00 0.00 33.01 30.10 1vg8 s GLN 4060CO 0.08 -1.02 0.18 0.42 -0.55 0.00 0.00 175.29 174.41 1vg8 s ILE 4061N 1.43 4.88 -0.22 -2.34 1.01 0.32 -0.73 121.20 125.55 1vg8 s ILE 4061Ca 0.04 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 1vg8 s ILE 4061Cb -0.24 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1vg8 s ILE 4061CO 0.02 0.06 0.36 0.26 0.00 0.00 0.00 174.94 175.64 1vg8 s TRP 4062N 1.66 3.34 -0.13 3.97 0.52 0.18 -1.40 118.94 127.08 1vg8 s TRP 4062Ca 0.05 0.53 -0.07 0.00 0.02 0.00 0.00 56.10 56.63 1vg8 s TRP 4062Cb -0.17 -2.50 -0.04 0.00 -1.15 0.00 0.00 33.47 29.61 1vg8 s TRP 4062CO 0.08 -0.04 0.12 0.34 0.02 0.00 0.00 176.95 177.47 1vg8 s ASP 4063N 1.15 6.19 0.22 2.95 3.68 -0.07 -1.07 116.67 129.72 1vg8 s ASP 4063Ca 0.17 0.38 0.05 0.00 2.13 0.00 0.00 52.55 55.28 1vg8 s ASP 4063Cb -0.15 -2.00 -0.05 0.00 -1.45 0.00 0.00 42.92 39.28 1vg8 s ASP 4063CO 0.08 0.36 -0.07 0.42 0.13 0.00 0.00 175.17 176.09 1vg8 s THR 4064N -0.76 1.38 0.04 1.71 -4.23 -1.25 -2.49 115.64 110.04 1vg8 s THR 4064Ca 0.13 -2.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.23 1vg8 s THR 4064Cb -0.12 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 1vg8 s THR 4064CO 0.03 -0.48 1.16 0.00 -0.54 0.00 0.00 174.62 174.79 1vg8 s ALA 4065N -3.19 3.37 0.08 3.99 0.00 -0.70 -4.88 121.76 120.43 1vg8 s ALA 4065Ca 0.25 0.77 0.08 0.00 0.00 0.00 0.00 51.96 53.06 1vg8 s ALA 4065Cb 0.03 -3.44 -0.21 0.00 0.00 0.00 0.00 23.12 19.50 1vg8 s ALA 4065CO 0.07 -0.44 1.14 0.78 0.00 0.00 0.00 175.76 177.31 1vg8 h GLY 4066N 6.98 0.00 -4.84 0.00 0.00 -1.81 -3.44 103.07 99.96 1vg8 h GLY 4066Ca -0.41 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.37 1vg8 h GLY 4066CO 0.81 0.00 0.70 1.20 0.00 0.00 0.00 176.54 179.25 1vg8 s GLN 4067N -2.69 4.35 0.33 4.80 -0.21 -1.26 -3.90 119.66 121.08 1vg8 s GLN 4067Ca -0.00 1.57 0.06 0.00 0.02 0.00 0.00 55.36 57.00 1vg8 s GLN 4067Cb 0.10 -3.58 0.71 0.00 1.00 0.00 0.00 33.01 31.23 1vg8 s GLN 4067CO 0.82 -0.46 1.87 1.49 -2.12 0.00 0.00 175.29 176.89 1vg8 h GLU 4068N 7.45 0.79 0.00 2.91 4.81 -1.99 -0.30 114.58 128.26 1vg8 h GLU 4068Ca -0.31 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1vg8 h GLU 4068Cb 1.14 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1vg8 h GLU 4068CO 0.89 0.53 -0.11 0.07 -0.73 0.00 0.00 179.01 179.66 1vg8 h ARG 4069N 0.82 0.00 -0.03 1.92 0.11 -1.98 -2.45 114.38 112.77 1vg8 h ARG 4069Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 1vg8 h ARG 4069Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1vg8 h ARG 4069CO -0.21 0.11 -0.03 1.19 0.10 0.00 0.00 179.97 181.13 1vg8 n PHE 4070N -3.64 0.00 -1.93 4.08 3.72 -0.15 -4.97 117.46 114.57 1vg8 n PHE 4070Ca -0.02 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 1vg8 n PHE 4070Cb 0.23 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.78 1vg8 n PHE 4070CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1vg8 s GLN 4071N -2.03 3.47 0.45 -1.08 -0.21 -0.93 -0.28 119.66 119.05 1vg8 s GLN 4071Ca 0.30 2.14 -0.22 0.00 0.02 0.00 0.00 55.36 57.60 1vg8 s GLN 4071Cb 0.20 -2.42 -0.08 0.00 1.00 0.00 0.00 33.01 31.71 1vg8 s GLN 4071CO 0.32 -0.89 1.08 -1.54 -2.12 0.00 0.00 175.29 172.14 1vg8 s SER 4072N -0.96 6.45 0.11 5.90 1.04 -1.26 -4.76 113.70 120.22 1vg8 s SER 4072Ca 0.66 2.07 -0.07 0.00 0.48 0.00 0.00 55.95 59.09 1vg8 s SER 4072Cb -0.38 -2.58 -0.14 0.00 0.10 0.00 0.00 66.02 63.02 1vg8 s SER 4072CO 0.46 -0.71 1.27 -0.07 0.98 0.00 0.00 173.24 175.17 1vg8 h LEU 4073N 2.05 0.66 -9.82 2.42 3.38 -1.99 -3.44 115.31 108.57 1vg8 h LEU 4073Ca -0.49 -0.52 -0.48 0.00 0.09 0.00 0.00 57.88 56.48 1vg8 h LEU 4073Cb 1.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1vg8 h LEU 4073CO 0.61 1.32 0.34 -0.83 0.09 0.00 0.00 178.44 179.97 1vg8 s GLY 4074N -4.37 2.96 0.00 0.83 0.00 -1.26 -4.95 107.32 100.52 1vg8 s GLY 4074Ca -0.07 0.56 0.01 0.00 0.00 0.00 0.00 44.72 45.22 1vg8 s GLY 4074CO 0.88 1.07 0.97 3.33 0.00 0.00 0.00 173.10 179.35 1vg8 n VAL 4075N 1.04 0.00 0.29 1.40 0.24 -1.26 -4.84 118.33 115.19 1vg8 n VAL 4075Ca -0.00 -0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.42 1vg8 n VAL 4075Cb 0.49 0.48 0.88 0.00 -1.47 0.00 0.00 33.84 34.22 1vg8 n VAL 4075CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vg8 h ALA 4076N 0.03 1.37 0.00 2.33 0.00 -1.92 -1.79 119.26 119.28 1vg8 h ALA 4076Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vg8 h ALA 4076Cb 1.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1vg8 h ALA 4076CO 0.00 0.05 -0.02 0.27 0.00 0.00 0.00 179.25 179.56 1vg8 h PHE 4077N 0.00 0.00 -0.32 0.00 -5.15 -1.95 -2.07 116.94 107.44 1vg8 h PHE 4077Ca -0.00 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.71 1vg8 h PHE 4077Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.28 1vg8 h PHE 4077CO 0.00 0.02 -0.05 1.88 -2.00 0.00 0.00 178.31 178.16 1vg8 h TYR 4078N 0.00 0.54 -3.93 6.09 -1.99 -1.61 -3.42 116.97 112.65 1vg8 h TYR 4078Ca -0.00 -0.06 -0.53 0.00 2.00 0.00 0.00 58.73 60.14 1vg8 h TYR 4078Cb 0.25 -0.15 0.08 0.00 2.00 0.00 0.00 36.73 38.91 1vg8 h TYR 4078CO 0.00 0.56 0.65 1.03 -0.00 0.00 0.00 178.16 180.40 1vg8 s ARG 4079N -4.88 4.07 0.00 4.88 0.52 -0.78 -1.68 118.95 121.08 1vg8 s ARG 4079Ca -0.07 2.24 0.00 0.00 -0.52 0.00 0.00 55.73 57.38 1vg8 s ARG 4079Cb 0.15 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.76 1vg8 s ARG 4079CO 0.77 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.06 1vg8 n GLY 4080N 0.67 1.60 3.73 -3.53 0.00 -1.26 -5.01 105.19 101.40 1vg8 n GLY 4080Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1vg8 n GLY 4080CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vg8 n ALA 4081N 0.13 1.70 0.18 4.61 0.00 -0.68 -4.73 120.51 121.72 1vg8 n ALA 4081Ca 0.00 0.25 0.10 0.00 0.00 0.00 0.00 53.44 53.79 1vg8 n ALA 4081Cb 0.00 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 16.97 1vg8 n ALA 4081CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vg8 n ASP 4082N -0.01 0.53 -3.60 0.00 8.00 0.92 -4.97 116.55 117.42 1vg8 n ASP 4082Ca 0.06 -0.19 -0.15 0.00 0.71 0.00 0.00 54.79 55.22 1vg8 n ASP 4082Cb 0.41 1.73 -0.07 0.00 -0.02 0.00 0.00 41.12 43.17 1vg8 n ASP 4082CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vg8 s VAL 4085N 0.59 5.30 -0.18 0.00 1.01 0.54 -1.32 120.40 126.34 1vg8 s VAL 4085Ca -0.09 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1vg8 s VAL 4085Cb -0.16 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1vg8 s VAL 4085CO 0.03 0.34 -0.04 -0.76 0.00 0.00 0.00 175.10 174.67 1vg8 s LEU 4086N 1.12 3.09 -0.06 3.92 1.43 0.27 -0.85 118.68 127.59 1vg8 s LEU 4086Ca 0.07 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.97 1vg8 s LEU 4086Cb -0.14 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1vg8 s LEU 4086CO 0.05 0.08 -0.21 -0.69 0.23 0.00 0.00 176.35 175.81 1vg8 s VAL 4087N 0.87 2.41 0.26 -1.59 1.01 -0.33 -0.53 120.40 122.49 1vg8 s VAL 4087Ca -0.01 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1vg8 s VAL 4087Cb -0.15 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1vg8 s VAL 4087CO 0.01 0.57 0.07 0.72 0.00 0.00 0.00 175.10 176.47 1vg8 s PHE 4088N -0.25 1.59 -0.26 5.22 -0.12 -0.56 -4.22 117.98 119.38 1vg8 s PHE 4088Ca -0.00 -1.09 -0.07 0.00 -0.05 0.00 0.00 56.93 55.72 1vg8 s PHE 4088Cb -0.13 -0.95 -0.02 0.00 -0.63 0.00 0.00 43.02 41.29 1vg8 s PHE 4088CO 0.03 -0.22 0.06 0.34 -0.05 0.00 0.00 175.22 175.39 1vg8 s ASP 4089N -3.33 5.06 0.46 1.98 -1.08 -1.26 -0.66 116.67 117.84 1vg8 s ASP 4089Ca 0.35 -0.34 0.31 0.00 -0.52 0.00 0.00 52.55 52.35 1vg8 s ASP 4089Cb 0.08 -1.90 1.66 0.00 -1.46 0.00 0.00 42.92 41.30 1vg8 s ASP 4089CO 0.12 -0.07 1.94 -0.37 0.52 0.00 0.00 175.17 177.32 1vg8 h VAL 4090N 5.63 0.00 -0.01 1.11 -1.51 -1.54 -0.27 116.25 119.65 1vg8 h VAL 4090Ca -0.37 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1vg8 h VAL 4090Cb 1.16 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1vg8 h VAL 4090CO 0.59 0.00 -0.19 0.35 -1.23 0.00 0.00 177.57 177.08 1vg8 n THR 4091N -2.58 0.00 -3.72 7.19 -2.24 -1.26 -0.51 114.28 111.14 1vg8 n THR 4091Ca -0.02 -0.22 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 1vg8 n THR 4091Cb 0.06 0.68 -0.13 0.00 -2.10 0.00 0.00 70.33 68.83 1vg8 n THR 4091CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vg8 s ALA 4092N -2.30 2.34 0.47 6.98 0.00 -0.11 -4.58 121.76 124.56 1vg8 s ALA 4092Ca 0.28 -2.75 0.23 0.00 0.00 0.00 0.00 51.96 49.71 1vg8 s ALA 4092Cb 0.20 -1.91 1.26 0.00 0.00 0.00 0.00 23.12 22.66 1vg8 s ALA 4092CO 0.45 -2.06 1.89 -1.35 0.00 0.00 0.00 175.76 174.70 1vg8 h PRO 4093N 6.51 0.21 -0.07 0.00 0.11 -1.83 -0.30 132.00 136.62 1vg8 h PRO 4093Ca 0.02 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1vg8 h PRO 4093Cb 0.91 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1vg8 h PRO 4093CO 0.51 0.14 -0.05 -0.91 -0.21 0.00 0.00 178.00 177.48 1vg8 h ASN 4094N 0.21 0.09 1.19 -2.05 -0.26 -1.94 -1.72 115.58 111.10 1vg8 h ASN 4094Ca 0.42 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 56.10 1vg8 h ASN 4094Cb 1.31 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.53 1vg8 h ASN 4094CO -0.09 0.16 -0.22 0.71 -1.06 0.00 0.00 177.43 176.93 1vg8 h THR 4095N 0.10 0.47 0.13 2.81 1.35 -1.37 -2.52 112.91 113.89 1vg8 h THR 4095Ca 0.02 -1.24 -0.28 0.00 -0.55 0.00 0.00 66.41 64.37 1vg8 h THR 4095Cb 0.16 1.89 0.01 0.00 -1.73 0.00 0.00 68.15 68.48 1vg8 h THR 4095CO 0.01 0.21 -1.25 0.15 -0.25 0.00 0.00 175.52 174.40 1vg8 h PHE 4096N 0.00 0.52 0.00 4.73 3.04 -1.40 -3.31 116.94 120.52 1vg8 h PHE 4096Ca -0.00 -0.38 0.00 0.00 3.98 0.00 0.00 57.97 61.57 1vg8 h PHE 4096Cb 0.87 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.36 1vg8 h PHE 4096CO 0.00 1.29 0.00 0.87 -2.02 0.00 0.00 178.31 178.45 1vg8 h LYS 4097N 0.08 0.00 -0.02 1.11 1.57 -0.91 -2.48 116.57 115.91 1vg8 h LYS 4097Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1vg8 h LYS 4097Cb 1.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.28 1vg8 h LYS 4097CO 0.21 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.34 1vg8 n THR 4098N -2.58 0.01 -0.27 -0.16 -2.24 -1.08 -4.36 114.28 103.60 1vg8 n THR 4098Ca 0.01 -0.29 0.03 0.00 -2.27 0.00 0.00 64.05 61.53 1vg8 n THR 4098Cb 0.23 0.63 0.24 0.00 -2.10 0.00 0.00 70.33 69.33 1vg8 n THR 4098CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1vg8 h LEU 4099N 2.67 0.90 -1.13 3.22 3.38 -1.60 -1.28 115.31 121.46 1vg8 h LEU 4099Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1vg8 h LEU 4099Cb 0.57 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1vg8 h LEU 4099CO 0.00 0.61 0.40 0.44 0.09 0.00 0.00 178.44 179.98 1vg8 h ASP 4100N 1.03 0.90 -0.65 -0.43 3.32 -1.84 0.68 116.42 119.44 1vg8 h ASP 4100Ca 0.35 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1vg8 h ASP 4100Cb 0.07 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1vg8 h ASP 4100CO -0.11 0.72 0.08 -1.28 -1.72 0.00 0.00 179.24 176.93 1vg8 h SER 4101N 1.02 1.05 -0.36 6.45 0.87 -1.55 0.95 113.55 121.97 1vg8 h SER 4101Ca 0.26 -0.27 -0.13 0.00 -1.23 0.00 0.00 61.79 60.41 1vg8 h SER 4101Cb 0.02 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1vg8 h SER 4101CO -0.04 1.06 -0.27 -0.50 -0.53 0.00 0.00 176.83 176.55 1vg8 h TRP 4102N 1.00 1.02 -0.50 2.24 4.06 -0.80 -0.63 115.95 122.34 1vg8 h TRP 4102Ca 0.19 -0.26 -0.06 0.00 2.06 0.00 0.00 58.89 60.83 1vg8 h TRP 4102Cb 0.48 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 1vg8 h TRP 4102CO 0.04 1.05 0.10 -0.09 -3.56 0.00 0.00 178.44 175.97 1vg8 h ARG 4103N 0.75 0.82 -0.37 0.49 2.43 -0.58 -1.30 114.38 116.62 1vg8 h ARG 4103Ca 0.09 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1vg8 h ARG 4103Cb 0.83 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1vg8 h ARG 4103CO 0.07 0.80 -0.26 -0.44 -1.51 0.00 0.00 179.97 178.63 1vg8 h ASP 4104N 0.70 0.78 -0.65 -3.80 3.32 -0.67 -1.39 116.42 114.71 1vg8 h ASP 4104Ca 0.15 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1vg8 h ASP 4104Cb 0.37 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1vg8 h ASP 4104CO 0.01 1.00 0.24 -0.08 -1.72 0.00 0.00 179.24 178.69 1vg8 h GLU 4105N 0.65 0.98 -0.21 3.56 4.57 -0.90 -0.62 114.58 122.61 1vg8 h GLU 4105Ca 0.08 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1vg8 h GLU 4105Cb 0.78 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1vg8 h GLU 4105CO 0.06 0.84 0.08 0.35 -1.18 0.00 0.00 179.01 179.16 1vg8 h PHE 4106N 0.92 0.33 -0.92 0.92 3.57 -0.99 -0.98 116.94 119.79 1vg8 h PHE 4106Ca 0.21 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1vg8 h PHE 4106Cb 0.24 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1vg8 h PHE 4106CO 0.02 0.37 0.53 -0.07 -2.23 0.00 0.00 178.31 176.92 1vg8 h LEU 4107N 0.19 1.13 -0.24 0.59 3.38 -0.93 0.87 115.31 120.31 1vg8 h LEU 4107Ca 0.07 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1vg8 h LEU 4107Cb 0.18 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1vg8 h LEU 4107CO -0.01 0.88 0.03 0.40 0.09 0.00 0.00 178.44 179.84 1vg8 h ILE 4108N 1.28 1.23 0.02 1.22 2.04 -0.93 0.20 117.51 122.57 1vg8 h ILE 4108Ca 0.33 -0.78 -0.20 0.00 1.00 0.00 0.00 64.86 65.20 1vg8 h ILE 4108Cb -0.01 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1vg8 h ILE 4108CO -0.06 0.25 -0.93 1.56 0.00 0.00 0.00 178.15 178.97 1vg8 h GLN 4109N 0.20 0.16 0.00 2.37 1.08 -0.79 -3.27 115.11 114.85 1vg8 h GLN 4109Ca 0.07 -0.19 -0.15 0.00 -1.45 0.00 0.00 58.65 56.93 1vg8 h GLN 4109Cb 0.34 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1vg8 h GLN 4109CO 0.01 0.97 -1.09 0.00 -0.95 0.00 0.00 178.83 177.77 1vg8 h ALA 4110N 0.96 0.64 -6.56 3.87 0.00 -0.89 -3.37 119.26 113.91 1vg8 h ALA 4110Ca -0.05 -0.74 -0.51 0.00 0.00 0.00 0.00 54.91 53.62 1vg8 h ALA 4110Cb 1.59 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1vg8 h ALA 4110CO 0.14 0.86 -0.92 0.43 0.00 0.00 0.00 179.25 179.76 1vg8 n SER 4111N -3.03 -1.40 -4.77 0.00 7.64 0.06 -4.49 113.62 107.62 1vg8 n SER 4111Ca -0.05 -1.07 -0.35 0.00 1.01 0.00 0.00 58.87 58.41 1vg8 n SER 4111Cb 0.82 -2.80 0.01 0.00 -1.01 0.00 0.00 64.21 61.22 1vg8 n SER 4111CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1vg8 s PRO 4112N -6.63 3.25 0.14 1.43 0.04 -1.26 -4.96 135.00 127.00 1vg8 s PRO 4112Ca 0.13 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1vg8 s PRO 4112Cb -0.06 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1vg8 s PRO 4112CO 0.91 -0.92 1.70 -0.09 0.04 0.00 0.00 177.00 178.63 1vg8 h ARG 4113N 0.95 0.63 -2.73 4.56 2.43 -1.99 -3.31 114.38 114.92 1vg8 h ARG 4113Ca -0.49 -0.11 -0.64 0.00 -0.81 0.00 0.00 59.98 57.93 1vg8 h ARG 4113Cb 1.26 -0.11 -0.40 0.00 -0.42 0.00 0.00 29.97 30.30 1vg8 h ARG 4113CO 0.56 0.57 -0.42 -3.47 -1.51 0.00 0.00 179.97 175.71 1vg8 n ASP 4114N -4.64 3.75 -0.31 -3.80 4.64 -1.26 -4.98 116.55 109.96 1vg8 n ASP 4114Ca 0.00 -3.32 0.14 0.00 -1.38 0.00 0.00 54.79 50.24 1vg8 n ASP 4114Cb 0.14 -0.80 0.38 0.00 -1.04 0.00 0.00 41.12 39.80 1vg8 n ASP 4114CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1vg8 h PRO 4115N 4.96 0.65 0.00 -0.67 0.13 -1.98 -1.48 132.00 133.60 1vg8 h PRO 4115Ca 0.18 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1vg8 h PRO 4115Cb 0.71 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1vg8 h PRO 4115CO 0.83 0.43 0.00 0.93 -0.23 0.00 0.00 178.00 179.96 1vg8 h GLU 4116N 0.67 0.00 -0.12 0.86 4.39 -1.94 -2.42 114.58 116.02 1vg8 h GLU 4116Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.21 1vg8 h GLU 4116Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1vg8 h GLU 4116CO -0.27 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.67 1vg8 n ASN 4117N -2.60 2.60 -4.75 1.42 3.02 -0.57 -4.85 115.26 109.53 1vg8 n ASN 4117Ca 0.01 -1.76 -0.41 0.00 -0.03 0.00 0.00 54.58 52.39 1vg8 n ASN 4117Cb 0.22 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 1vg8 n ASN 4117CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1vg8 s PHE 4118N -1.32 3.01 -0.21 3.10 5.36 -0.91 -4.92 117.98 122.09 1vg8 s PHE 4118Ca 0.23 1.09 -0.29 0.00 -0.96 0.00 0.00 56.93 57.00 1vg8 s PHE 4118Cb 0.15 -3.80 -0.01 0.00 -0.34 0.00 0.00 43.02 39.02 1vg8 s PHE 4118CO 0.22 -2.54 1.34 -1.25 -1.46 0.00 0.00 175.22 171.53 1vg8 s PRO 4119N -0.64 4.07 0.11 10.12 0.04 -1.26 -5.02 135.00 142.42 1vg8 s PRO 4119Ca 0.57 1.55 0.08 0.00 0.04 0.00 0.00 61.00 63.25 1vg8 s PRO 4119Cb -0.42 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 1vg8 s PRO 4119CO 0.45 -0.93 -0.17 -0.06 0.04 0.00 0.00 177.00 176.34 1vg8 s PHE 4120N 4.03 2.57 -0.04 0.56 0.40 -1.26 -1.65 117.98 122.60 1vg8 s PHE 4120Ca 0.58 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 1vg8 s PHE 4120Cb -0.21 -1.37 0.02 0.00 0.51 0.00 0.00 43.02 41.97 1vg8 s PHE 4120CO 0.20 0.38 -0.05 0.08 0.70 0.00 0.00 175.22 176.53 1vg8 s VAL 4121N -1.14 0.53 -0.13 -0.44 1.01 -0.44 -4.11 120.40 115.69 1vg8 s VAL 4121Ca 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1vg8 s VAL 4121Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1vg8 s VAL 4121CO 0.10 0.21 -0.01 -0.69 0.00 0.00 0.00 175.10 174.71 1vg8 s VAL 4122N 0.69 4.17 -0.19 2.92 1.01 -0.51 -0.56 120.40 127.92 1vg8 s VAL 4122Ca -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1vg8 s VAL 4122Cb -0.12 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1vg8 s VAL 4122CO 0.00 0.54 -0.17 -0.76 0.00 0.00 0.00 175.10 174.71 1vg8 s LEU 4123N -0.20 2.28 -0.53 3.92 1.43 0.31 -0.92 118.68 124.98 1vg8 s LEU 4123Ca 0.05 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.32 1vg8 s LEU 4123Cb -0.13 -1.52 0.07 0.00 0.03 0.00 0.00 46.19 44.64 1vg8 s LEU 4123CO 0.02 -0.01 0.66 -0.83 0.23 0.00 0.00 176.35 176.42 1vg8 s GLY 4124N 1.31 1.75 0.44 -3.19 0.00 0.39 -1.50 107.32 106.52 1vg8 s GLY 4124Ca 0.05 -1.82 0.04 0.00 0.00 0.00 0.00 44.72 42.99 1vg8 s GLY 4124CO -0.11 1.53 0.63 0.21 0.00 0.00 0.00 173.10 175.35 1vg8 s ASN 4125N 2.90 5.69 -0.55 1.64 3.04 0.16 -0.64 114.94 127.18 1vg8 s ASN 4125Ca 0.15 -0.06 -0.02 0.00 0.04 0.00 0.00 52.86 52.98 1vg8 s ASN 4125Cb -0.20 -1.10 0.00 0.00 -1.54 0.00 0.00 41.25 38.41 1vg8 s ASN 4125CO 0.11 -0.76 0.21 0.29 -3.04 0.00 0.00 177.10 173.91 1vg8 n LYS 4126N -1.99 -1.70 0.08 0.43 5.02 -0.58 -1.41 118.16 118.01 1vg8 n LYS 4126Ca 0.04 0.32 0.10 0.00 -2.02 0.00 0.00 58.31 56.75 1vg8 n LYS 4126Cb 0.59 -3.96 0.42 0.00 -0.02 0.00 0.00 35.03 32.06 1vg8 n LYS 4126CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1vg8 n ILE 4127N -3.68 0.87 0.25 -0.18 -5.35 -1.00 -2.29 119.36 107.99 1vg8 n ILE 4127Ca -0.04 0.22 0.13 0.00 -0.27 0.00 0.00 62.75 62.79 1vg8 n ILE 4127Cb 0.54 -1.06 0.64 0.00 -1.74 0.00 0.00 39.64 38.02 1vg8 n ILE 4127CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1vg8 h ASP 4128N 0.00 0.00 -4.10 7.28 2.03 -1.92 -3.45 116.42 116.26 1vg8 h ASP 4128Ca 0.00 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.81 1vg8 h ASP 4128Cb 0.34 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.89 1vg8 h ASP 4128CO 0.00 0.13 0.40 -0.76 -1.03 0.00 0.00 179.24 177.98 1vg8 s LEU 4129N -6.72 3.74 0.25 0.15 1.43 -0.97 -4.98 118.68 111.57 1vg8 s LEU 4129Ca -0.01 2.03 0.13 0.00 -1.03 0.00 0.00 54.13 55.25 1vg8 s LEU 4129Cb 0.11 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.77 1vg8 s LEU 4129CO 0.58 -1.07 1.41 -0.33 0.23 0.00 0.00 176.35 177.17 1vg8 h GLU 4130N 1.18 0.00 -2.42 1.70 5.08 -1.89 -3.39 114.58 114.84 1vg8 h GLU 4130Ca -0.49 0.00 -0.81 0.00 -1.00 0.00 0.00 59.36 57.06 1vg8 h GLU 4130Cb 1.24 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.22 1vg8 h GLU 4130CO 0.58 0.60 0.96 0.09 -1.00 0.00 0.00 179.01 180.24 1vg8 n ASN 4131N -3.25 7.11 -4.76 1.42 3.02 -1.26 -5.02 115.26 112.52 1vg8 n ASN 4131Ca 0.02 -3.62 -0.39 0.00 -0.03 0.00 0.00 54.58 50.56 1vg8 n ASN 4131Cb 0.78 -1.19 0.03 0.00 -0.61 0.00 0.00 39.78 38.78 1vg8 n ASN 4131CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1vg8 s ARG 4132N -3.93 3.41 0.00 3.52 3.52 -1.26 -4.57 118.95 119.63 1vg8 s ARG 4132Ca 0.37 2.29 0.00 0.00 -0.13 0.00 0.00 55.73 58.26 1vg8 s ARG 4132Cb 0.15 -2.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 1vg8 s ARG 4132CO -0.07 -1.00 0.00 1.04 -0.81 0.00 0.00 175.30 174.47 1vg8 n GLN 4133N -0.64 3.22 -3.66 5.12 6.02 0.33 -4.94 117.38 122.82 1vg8 n GLN 4133Ca 0.08 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.69 1vg8 n GLN 4133Cb 0.44 -0.57 -0.12 0.00 1.02 0.00 0.00 30.24 31.01 1vg8 n GLN 4133CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1vg8 s VAL 4134N -0.78 4.69 0.39 5.09 1.01 -0.06 -4.90 120.40 125.82 1vg8 s VAL 4134Ca 0.00 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 1vg8 s VAL 4134Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 1vg8 s VAL 4134CO 0.00 0.18 1.17 0.00 0.00 0.00 0.00 175.10 176.44 1vg8 s ALA 4135N 1.65 3.19 0.21 5.51 0.00 -1.26 -4.95 121.76 126.11 1vg8 s ALA 4135Ca 0.06 0.97 -0.09 0.00 0.00 0.00 0.00 51.96 52.89 1vg8 s ALA 4135Cb -0.16 -3.38 0.25 0.00 0.00 0.00 0.00 23.12 19.83 1vg8 s ALA 4135CO 0.07 -0.49 1.79 1.15 0.00 0.00 0.00 175.76 178.28 1vg8 h THR 4136N 2.43 0.92 -0.95 0.00 2.02 -1.99 -2.20 112.91 113.14 1vg8 h THR 4136Ca -0.49 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 66.53 1vg8 h THR 4136Cb 1.23 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 1vg8 h THR 4136CO 0.63 0.11 0.62 0.50 0.37 0.00 0.00 175.52 177.75 1vg8 h LYS 4137N 0.61 1.12 -0.42 6.66 3.64 -1.99 0.15 116.57 126.35 1vg8 h LYS 4137Ca 0.30 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1vg8 h LYS 4137Cb 0.24 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1vg8 h LYS 4137CO -0.21 0.74 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.45 1vg8 h ARG 4138N 1.15 0.86 -0.41 1.90 2.43 -1.80 -0.31 114.38 118.20 1vg8 h ARG 4138Ca 0.39 -0.36 -0.14 0.00 -0.81 0.00 0.00 59.98 59.06 1vg8 h ARG 4138Cb 0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1vg8 h ARG 4138CO -0.13 1.00 -0.29 0.00 -1.51 0.00 0.00 179.97 179.04 1vg8 h ALA 4139N 0.83 0.71 -0.25 2.80 0.00 -0.90 -2.42 119.26 120.05 1vg8 h ALA 4139Ca 0.10 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1vg8 h ALA 4139Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1vg8 h ALA 4139CO 0.06 0.66 -0.29 1.96 0.00 0.00 0.00 179.25 181.64 1vg8 h GLN 4140N 0.75 0.50 -0.65 0.00 4.20 -0.60 -2.10 115.11 117.22 1vg8 h GLN 4140Ca 0.09 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1vg8 h GLN 4140Cb 0.85 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1vg8 h GLN 4140CO 0.07 0.75 0.30 0.00 -0.67 0.00 0.00 178.83 179.28 1vg8 h ALA 4141N 1.25 0.83 -0.42 3.87 0.00 -0.77 -0.21 119.26 123.81 1vg8 h ALA 4141Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1vg8 h ALA 4141Cb 0.73 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1vg8 h ALA 4141CO 0.06 0.41 0.09 2.35 0.00 0.00 0.00 179.25 182.15 1vg8 h TRP 4142N 0.89 0.72 -0.61 0.00 7.01 -1.27 -1.94 115.95 120.75 1vg8 h TRP 4142Ca 0.22 -0.09 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 1vg8 h TRP 4142Cb 0.14 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 1vg8 h TRP 4142CO 0.00 0.68 0.28 0.00 -2.79 0.00 0.00 178.44 176.62 1vg8 h TYR 4144N 0.83 0.77 0.00 0.00 5.03 -0.87 -2.06 116.97 120.68 1vg8 h TYR 4144Ca 0.21 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.47 1vg8 h TYR 4144Cb 0.15 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.19 1vg8 h TYR 4144CO 0.00 0.62 0.00 0.66 -1.32 0.00 0.00 178.16 178.13 1vg8 h SER 4145N 0.75 0.00 -1.59 -2.11 4.64 -0.54 -2.12 113.55 112.59 1vg8 h SER 4145Ca 0.18 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.78 1vg8 h SER 4145Cb 0.20 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.02 1vg8 h SER 4145CO -0.01 0.00 0.96 0.29 -0.87 0.00 0.00 176.83 177.20 1vg8 n LYS 4146N -2.68 2.69 -3.52 4.77 4.76 -0.80 -4.80 118.16 118.57 1vg8 n LYS 4146Ca 0.01 -3.34 -0.22 0.00 -2.87 0.00 0.00 58.31 51.89 1vg8 n LYS 4146Cb 0.23 -2.25 0.08 0.00 -1.84 0.00 0.00 35.03 31.25 1vg8 n LYS 4146CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1vg8 n ASN 4147N -0.57 -5.19 -3.37 4.39 5.15 -1.15 -3.98 115.26 110.53 1vg8 n ASN 4147Ca 0.56 -0.55 -0.18 0.00 -0.60 0.00 0.00 54.58 53.82 1vg8 n ASN 4147Cb 0.40 -4.94 0.07 0.00 -0.53 0.00 0.00 39.78 34.78 1vg8 n ASN 4147CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1vg8 n ASN 4148N -2.94 -5.21 -4.84 1.20 5.15 -0.81 -5.00 115.26 102.82 1vg8 n ASN 4148Ca -0.07 -0.74 -0.35 0.00 -0.60 0.00 0.00 54.58 52.83 1vg8 n ASN 4148Cb 0.59 -4.88 -0.06 0.00 -0.53 0.00 0.00 39.78 34.90 1vg8 n ASN 4148CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1vg8 s ILE 4149N -3.42 4.70 0.43 -1.44 -4.36 -1.03 -4.95 121.20 111.13 1vg8 s ILE 4149Ca 0.34 1.01 -0.26 0.00 -0.26 0.00 0.00 60.65 61.48 1vg8 s ILE 4149Cb -0.06 -3.74 -0.09 0.00 1.25 0.00 0.00 42.46 39.82 1vg8 s ILE 4149CO 0.76 0.09 1.46 -2.84 0.24 0.00 0.00 174.94 174.65 1vg8 s PRO 4150N -2.31 3.82 -0.06 0.37 0.02 -1.26 -4.64 135.00 130.94 1vg8 s PRO 4150Ca 0.45 2.49 0.03 0.00 0.02 0.00 0.00 61.00 64.00 1vg8 s PRO 4150Cb -0.14 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.62 1vg8 s PRO 4150CO 0.20 -0.74 -0.15 -0.47 -0.33 0.00 0.00 177.00 175.50 1vg8 s TYR 4151N -1.17 1.64 -0.00 6.54 5.04 -1.26 -1.43 117.35 126.71 1vg8 s TYR 4151Ca 0.58 -0.56 0.04 0.00 -2.44 0.00 0.00 57.07 54.69 1vg8 s TYR 4151Cb -0.45 -1.15 -0.01 0.00 0.35 0.00 0.00 41.96 40.70 1vg8 s TYR 4151CO 0.59 -0.24 -0.11 -0.06 -1.34 0.00 0.00 175.55 174.39 1vg8 s PHE 4152N 0.36 1.02 -0.24 4.97 0.40 -0.10 -4.99 117.98 119.40 1vg8 s PHE 4152Ca -0.10 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 55.93 1vg8 s PHE 4152Cb -0.14 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.70 1vg8 s PHE 4152CO 0.04 -0.01 0.12 -1.21 0.70 0.00 0.00 175.22 174.85 1vg8 s GLU 4153N -0.36 3.86 0.26 0.44 2.02 -1.26 -0.47 118.70 123.19 1vg8 s GLU 4153Ca 0.04 -0.38 0.07 0.00 0.02 0.00 0.00 54.97 54.73 1vg8 s GLU 4153Cb -0.05 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 1vg8 s GLU 4153CO -0.00 -0.06 -0.09 0.95 0.02 0.00 0.00 175.26 176.08 1vg8 s THR 4154N 1.33 1.73 -0.14 3.63 -4.23 0.19 -4.65 115.64 113.49 1vg8 s THR 4154Ca 0.06 -2.17 -0.03 0.00 -1.18 0.00 0.00 61.69 58.37 1vg8 s THR 4154Cb -0.15 -2.34 0.05 0.00 1.34 0.00 0.00 72.50 71.41 1vg8 s THR 4154CO 0.05 -0.38 0.05 -0.55 -0.54 0.00 0.00 174.62 173.25 1vg8 s SER 4155N -3.42 2.25 0.22 3.99 0.15 -0.12 -1.53 113.70 115.25 1vg8 s SER 4155Ca 0.28 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.45 1vg8 s SER 4155Cb 0.02 -0.40 0.18 0.00 -1.71 0.00 0.00 66.02 64.12 1vg8 s SER 4155CO 0.11 -0.29 1.52 0.00 1.20 0.00 0.00 173.24 175.78 1vg8 h ALA 4156N 8.34 0.77 -0.05 5.45 0.00 -1.91 0.43 119.26 132.29 1vg8 h ALA 4156Ca -0.16 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 1vg8 h ALA 4156Cb 1.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1vg8 h ALA 4156CO 0.28 0.73 0.01 -0.22 0.00 0.00 0.00 179.25 180.06 1vg8 h LYS 4157N 0.24 0.07 -0.69 0.00 3.64 -1.95 -3.15 116.57 114.73 1vg8 h LYS 4157Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1vg8 h LYS 4157Cb 1.15 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1vg8 h LYS 4157CO 0.10 0.27 0.00 0.39 -2.27 0.00 0.00 179.45 177.94 1vg8 n GLU 4158N -4.94 3.27 -3.83 1.90 1.02 -1.23 -4.97 120.64 111.87 1vg8 n GLU 4158Ca -0.07 -2.78 -0.25 0.00 -0.02 0.00 0.00 57.16 54.04 1vg8 n GLU 4158Cb 0.14 -1.74 0.01 0.00 -0.02 0.00 0.00 31.44 29.82 1vg8 n GLU 4158CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vg8 n ALA 4159N 1.36 -2.11 -2.99 0.62 0.00 -0.02 -4.96 120.51 112.42 1vg8 n ALA 4159Ca 0.25 -0.23 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 1vg8 n ALA 4159Cb 0.76 -2.06 -0.12 0.00 0.00 0.00 0.00 19.45 18.03 1vg8 n ALA 4159CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vg8 s ILE 4160N -3.79 4.41 -0.60 0.00 1.01 -0.27 -4.55 121.20 117.41 1vg8 s ILE 4160Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1vg8 s ILE 4160Cb -0.03 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1vg8 s ILE 4160CO 0.86 0.20 0.00 0.59 0.00 0.00 0.00 174.94 176.60 1vg8 n ASN 4161N 4.94 -4.52 -0.04 3.58 3.02 -1.26 -0.94 115.26 120.05 1vg8 n ASN 4161Ca -0.15 0.14 -0.13 0.00 -0.03 0.00 0.00 54.58 54.41 1vg8 n ASN 4161Cb 0.50 -2.51 -0.11 0.00 -0.61 0.00 0.00 39.78 37.05 1vg8 n ASN 4161CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1vg8 h VAL 4162N 0.00 1.55 -0.90 2.41 2.07 -1.87 -1.64 116.25 117.87 1vg8 h VAL 4162Ca -0.12 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 65.80 1vg8 h VAL 4162Cb 0.65 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 33.01 1vg8 h VAL 4162CO 0.17 0.42 0.59 -0.33 0.02 0.00 0.00 177.57 178.44 1vg8 h GLU 4163N -0.68 1.18 -0.44 1.57 4.39 -1.91 -1.13 114.58 117.55 1vg8 h GLU 4163Ca -0.00 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 1vg8 h GLU 4163Cb 0.69 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1vg8 h GLU 4163CO 0.00 0.78 0.08 1.96 -1.16 0.00 0.00 179.01 180.67 1vg8 h GLN 4164N 1.21 0.73 -0.25 2.33 7.50 -1.97 -1.71 115.11 122.95 1vg8 h GLN 4164Ca 0.33 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 59.27 1vg8 h GLN 4164Cb -0.14 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.29 1vg8 h GLN 4164CO -0.07 0.75 0.09 0.00 -1.50 0.00 0.00 178.83 178.09 1vg8 h ALA 4165N 0.95 0.33 0.00 3.87 0.00 -0.99 -2.51 119.26 120.90 1vg8 h ALA 4165Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vg8 h ALA 4165Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1vg8 h ALA 4165CO 0.01 -0.05 0.00 0.74 0.00 0.00 0.00 179.25 179.94 1vg8 h PHE 4166N 0.24 0.00 -0.31 0.00 -1.00 -1.09 -1.03 116.94 113.76 1vg8 h PHE 4166Ca 0.08 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.77 1vg8 h PHE 4166Cb 0.22 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1vg8 h PHE 4166CO -0.00 0.00 -0.18 1.96 -1.61 0.00 0.00 178.31 178.48 1vg8 h GLN 4167N 0.00 0.66 -0.35 1.51 4.20 -0.86 -0.94 115.11 119.34 1vg8 h GLN 4167Ca 0.00 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.28 1vg8 h GLN 4167Cb 0.36 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1vg8 h GLN 4167CO 0.00 0.90 -0.30 1.15 -0.67 0.00 0.00 178.83 179.91 1vg8 h THR 4168N 0.42 1.29 -0.58 -0.54 2.02 -1.32 -1.04 112.91 113.15 1vg8 h THR 4168Ca 0.06 -1.47 0.05 0.00 0.77 0.00 0.00 66.41 65.83 1vg8 h THR 4168Cb 0.72 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 1vg8 h THR 4168CO 0.05 0.48 0.32 0.40 0.37 0.00 0.00 175.52 177.14 1vg8 h ILE 4169N 0.60 0.98 -0.41 3.11 2.04 -1.15 0.02 117.51 122.71 1vg8 h ILE 4169Ca 0.06 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 1vg8 h ILE 4169Cb 0.88 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1vg8 h ILE 4169CO 0.08 0.11 -0.33 0.00 0.00 0.00 0.00 178.15 178.01 1vg8 h ALA 4170N 1.30 0.64 -0.25 1.87 0.00 -1.04 -0.43 119.26 121.35 1vg8 h ALA 4170Ca 0.25 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1vg8 h ALA 4170Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1vg8 h ALA 4170CO -0.15 0.67 0.03 -0.09 0.00 0.00 0.00 179.25 179.71 1vg8 h ARG 4171N 0.77 0.42 -0.15 0.00 2.43 -0.87 -0.61 114.38 116.37 1vg8 h ARG 4171Ca 0.08 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1vg8 h ARG 4171Cb 0.91 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1vg8 h ARG 4171CO 0.08 0.55 -0.40 -0.91 -1.51 0.00 0.00 179.97 177.79 1vg8 h ASN 4172N 0.22 0.36 -0.42 -3.80 -0.26 -0.94 -2.04 115.58 108.70 1vg8 h ASN 4172Ca 0.08 -0.15 -0.06 0.00 -0.56 0.00 0.00 56.30 55.61 1vg8 h ASN 4172Cb 0.34 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.49 1vg8 h ASN 4172CO 0.01 0.72 0.02 0.00 -1.06 0.00 0.00 177.43 177.12 1vg8 h ALA 4173N 1.30 0.56 -0.28 -0.83 0.00 -0.90 -1.98 119.26 117.12 1vg8 h ALA 4173Ca 0.03 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1vg8 h ALA 4173Cb 0.83 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1vg8 h ALA 4173CO 0.07 0.32 0.15 1.25 0.00 0.00 0.00 179.25 181.03 1vg8 h LEU 4174N 0.56 0.22 -0.80 0.00 5.85 -0.87 -0.13 115.31 120.15 1vg8 h LEU 4174Ca 0.12 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1vg8 h LEU 4174Cb 0.44 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1vg8 h LEU 4174CO 0.02 0.17 0.48 0.50 -0.34 0.00 0.00 178.44 179.27 1vg8 h LYS 4175N 0.31 0.85 -0.58 1.25 3.64 -1.25 -0.35 116.57 120.44 1vg8 h LYS 4175Ca 0.12 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1vg8 h LYS 4175Cb 0.03 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1vg8 h LYS 4175CO -0.07 0.56 0.06 0.37 -2.27 0.00 0.00 179.45 178.10 1vg8 h GLN 4176N 0.88 0.99 -0.59 1.90 5.75 -0.89 -1.88 115.11 121.26 1vg8 h GLN 4176Ca 0.36 -0.29 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 1vg8 h GLN 4176Cb 0.19 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1vg8 h GLN 4176CO -0.18 0.96 0.04 1.49 -2.65 0.00 0.00 178.83 178.48 1vg8 h GLU 4177N 0.88 1.01 -0.91 1.69 4.22 -0.09 -1.71 114.58 119.68 1vg8 h GLU 4177Ca 0.17 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.31 1vg8 h GLU 4177Cb 0.47 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1vg8 h GLU 4177CO 0.02 0.98 0.58 1.15 -2.18 0.00 0.00 179.01 179.56 1vg8 h THR 4178N 0.91 1.24 -0.20 0.32 2.02 -0.99 -1.92 112.91 114.27 1vg8 h THR 4178Ca 0.17 -0.47 -0.15 0.00 0.77 0.00 0.00 66.41 66.73 1vg8 h THR 4178Cb 0.50 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1vg8 h THR 4178CO 0.02 0.24 -0.46 -0.08 0.37 0.00 0.00 175.52 175.61 1vg8 h GLU 4179N 1.24 0.68 -0.90 6.66 4.57 -0.93 -2.53 114.58 123.36 1vg8 h GLU 4179Ca 0.33 -0.45 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1vg8 h GLU 4179Cb -0.11 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 1vg8 h GLU 4179CO -0.07 1.07 0.60 0.28 -1.18 0.00 0.00 179.01 179.71 1vg8 h VAL 4180N 0.37 1.22 -0.57 0.32 2.07 -1.19 0.13 116.25 118.61 1vg8 h VAL 4180Ca 0.00 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1vg8 h VAL 4180Cb 1.07 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1vg8 h VAL 4180CO 0.10 0.22 0.34 -0.33 0.02 0.00 0.00 177.57 177.93 1vg8 h GLU 4181N 1.22 0.65 -0.59 1.57 5.08 -1.29 -1.96 114.58 119.27 1vg8 h GLU 4181Ca 0.33 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 1vg8 h GLU 4181Cb -0.13 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 1vg8 h GLU 4181CO -0.08 0.43 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.29 1vg8 h LEU 4182N 0.67 1.01 -1.11 1.33 3.38 -0.90 -2.52 115.31 117.17 1vg8 h LEU 4182Ca 0.23 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1vg8 h LEU 4182Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1vg8 h LEU 4182CO -0.11 1.06 0.06 0.22 0.09 0.00 0.00 178.44 179.77 1vg8 h TYR 4183N 0.94 0.72 -0.19 1.13 3.20 -0.40 1.37 116.97 123.75 1vg8 h TYR 4183Ca 0.17 -0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.82 1vg8 h TYR 4183Cb 0.55 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1vg8 h TYR 4183CO 0.04 0.64 -0.49 -0.91 -1.64 0.00 0.00 178.16 175.80 1vg8 h ASN 4184N 0.66 0.54 0.16 -2.11 2.35 -1.08 -2.71 115.58 113.40 1vg8 h ASN 4184Ca 0.14 -0.27 -0.36 0.00 -0.55 0.00 0.00 56.30 55.27 1vg8 h ASN 4184Cb 0.32 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1vg8 h ASN 4184CO 0.01 0.94 -1.92 -0.33 -1.65 0.00 0.00 177.43 174.48 1vg8 h GLU 4185N 0.39 0.29 -2.41 0.81 5.08 -1.02 -3.43 114.58 114.29 1vg8 h GLU 4185Ca 0.02 -0.50 -0.59 0.00 -1.00 0.00 0.00 59.36 57.29 1vg8 h GLU 4185Cb 1.00 0.19 -0.40 0.00 0.50 0.00 0.00 28.75 30.04 1vg8 h GLU 4185CO 0.09 1.22 -0.87 1.19 -1.00 0.00 0.00 179.01 179.64 1vg8 n PHE 4186N -3.50 0.76 -1.91 4.33 3.01 0.47 -5.10 117.46 115.52 1vg8 n PHE 4186Ca -0.29 -3.71 -0.39 0.00 1.01 0.00 0.00 57.45 54.07 1vg8 n PHE 4186Cb 1.06 -0.19 0.01 0.00 -0.01 0.00 0.00 39.48 40.35 1vg8 n PHE 4186CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1vg8 s PRO 4187N -0.93 3.66 0.40 -1.08 0.04 -1.02 -4.44 135.00 131.63 1vg8 s PRO 4187Ca 0.33 2.25 -0.24 0.00 0.04 0.00 0.00 61.00 63.38 1vg8 s PRO 4187Cb 0.07 -2.58 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 1vg8 s PRO 4187CO -0.15 -0.78 1.07 -1.21 0.04 0.00 0.00 177.00 175.97 1vg8 s GLU 4188N -2.50 4.13 0.81 4.56 2.02 -1.26 -5.00 118.70 121.45 1vg8 s GLU 4188Ca 0.62 1.56 -0.12 0.00 0.02 0.00 0.00 54.97 57.06 1vg8 s GLU 4188Cb -0.40 -2.55 0.08 0.00 0.10 0.00 0.00 34.13 31.36 1vg8 s GLU 4188CO 0.51 -0.18 1.14 -1.25 0.02 0.00 0.00 175.26 175.49 1vg8 s PRO 4189N -2.48 1.80 0.00 0.39 0.04 -1.26 -5.21 135.00 128.28 1vg8 s PRO 4189Ca 0.58 1.47 0.06 0.00 0.04 0.00 0.00 61.00 63.15 1vg8 s PRO 4189Cb -0.23 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1vg8 s PRO 4189CO 0.29 -2.04 0.69 -0.89 0.04 0.00 0.00 177.00 175.09