#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj9 n ASP 4005N 0.00 -0.02 -0.87 -3.46 2.03 -1.26 -5.10 116.55 107.87 1sj9 n ASP 4005Ca 0.00 -1.03 -0.12 0.00 0.52 0.00 0.00 54.79 54.16 1sj9 n ASP 4005Cb 0.00 0.04 -0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1sj9 n ASP 4005CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1sj9 n VAL 4006N -0.01 0.00 -0.35 5.18 0.31 -1.24 -4.80 118.33 117.41 1sj9 n VAL 4006Ca 0.00 0.00 0.28 0.00 -0.01 0.00 0.00 64.34 64.61 1sj9 n VAL 4006Cb 0.01 -0.10 0.58 0.00 -0.91 0.00 0.00 33.84 33.42 1sj9 n VAL 4006CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1sj9 h PHE 4007N 1.75 0.53 0.00 3.52 3.57 -1.95 -2.00 116.94 122.36 1sj9 h PHE 4007Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1sj9 h PHE 4007Cb 0.29 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1sj9 h PHE 4007CO 0.19 -0.01 0.00 0.72 -2.23 0.00 0.00 178.31 176.98 1sj9 n HIS 4008N -4.57 0.00 -0.33 0.41 8.25 -1.26 -4.72 115.22 112.99 1sj9 n HIS 4008Ca 0.28 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.93 1sj9 n HIS 4008Cb 1.07 0.00 0.42 0.00 1.12 0.00 0.00 29.99 32.60 1sj9 n HIS 4008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1sj9 h LEU 4009N 0.00 0.60 0.00 2.41 3.38 -1.91 -3.45 115.31 116.34 1sj9 h LEU 4009Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sj9 h LEU 4009Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1sj9 h LEU 4009CO 0.00 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1sj9 n GLY 4010N -1.38 0.86 0.98 0.83 0.00 -0.75 -4.59 105.19 101.14 1sj9 n GLY 4010Ca 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 1sj9 n GLY 4010CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sj9 n LEU 4011N 0.00 0.00 -3.86 0.99 4.77 -1.26 -4.71 117.00 112.93 1sj9 n LEU 4011Ca 0.00 -0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 55.53 1sj9 n LEU 4011Cb 0.00 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 1sj9 n LEU 4011CO 0.00 -0.90 -0.10 0.42 -1.33 0.00 0.00 177.39 175.48 1sj9 s THR 4012N -1.69 0.14 0.23 -5.08 -4.23 -1.26 -3.69 115.64 100.06 1sj9 s THR 4012Ca 0.19 -1.18 -0.08 0.00 -1.18 0.00 0.00 61.69 59.45 1sj9 s THR 4012Cb -0.01 -1.33 0.19 0.00 1.34 0.00 0.00 72.50 72.70 1sj9 s THR 4012CO 0.14 -0.65 1.87 0.11 -0.54 0.00 0.00 174.62 175.55 1sj9 h LYS 4013N 2.78 0.98 -0.88 3.99 1.57 -1.97 -2.34 116.57 120.71 1sj9 h LYS 4013Ca -0.34 -0.06 0.22 0.00 -1.87 0.00 0.00 60.65 58.61 1sj9 h LYS 4013Cb 1.20 -0.22 -0.16 0.00 0.08 0.00 0.00 32.23 33.13 1sj9 h LYS 4013CO 0.56 0.65 0.06 -0.91 -0.57 0.00 0.00 179.45 179.24 1sj9 h ASN 4014N 1.01 -0.34 -0.63 0.86 -0.26 -1.97 0.28 115.58 114.52 1sj9 h ASN 4014Ca 0.33 0.23 0.02 0.00 -0.56 0.00 0.00 56.30 56.32 1sj9 h ASN 4014Cb 0.03 0.39 -0.04 0.00 -1.06 0.00 0.00 38.32 37.64 1sj9 h ASN 4014CO -0.12 -0.25 0.41 0.44 -1.06 0.00 0.00 177.43 176.85 1sj9 h ASP 4015N 0.09 0.69 -0.43 5.81 3.32 -1.84 -1.41 116.42 122.65 1sj9 h ASP 4015Ca 0.52 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.56 1sj9 h ASP 4015Cb 1.01 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1sj9 h ASP 4015CO -0.77 0.49 0.27 -0.07 -1.72 0.00 0.00 179.24 177.44 1sj9 h LEU 4016N 0.82 0.51 -0.45 1.55 -0.00 -0.48 -3.46 115.31 113.79 1sj9 h LEU 4016Ca 0.24 -0.02 -0.38 0.00 -0.00 0.00 0.00 57.88 57.72 1sj9 h LEU 4016Cb -0.04 -0.13 0.12 0.00 -0.00 0.00 0.00 40.66 40.61 1sj9 h LEU 4016CO -0.08 0.39 -0.64 1.67 -0.00 0.00 0.00 178.44 179.78 1sj9 n GLN 4017N -4.45 -7.00 -1.03 1.13 7.27 -0.50 -1.45 117.38 111.35 1sj9 n GLN 4017Ca 0.03 0.81 -0.01 0.00 0.07 0.00 0.00 57.00 57.91 1sj9 n GLN 4017Cb 0.07 -5.73 -0.00 0.00 2.41 0.00 0.00 30.24 26.99 1sj9 n GLN 4017CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sj9 n GLY 4018N -1.85 0.49 3.65 1.69 0.00 -1.26 -4.81 105.19 103.10 1sj9 n GLY 4018Ca -0.02 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1sj9 n GLY 4018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 n ALA 4019N 1.02 0.70 -0.05 4.61 0.00 -0.53 -4.82 120.51 121.44 1sj9 n ALA 4019Ca -0.01 0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 1sj9 n ALA 4019Cb 0.07 -2.17 -0.07 0.00 0.00 0.00 0.00 19.45 17.28 1sj9 n ALA 4019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sj9 n GLN 4020N 0.10 1.81 -3.37 0.00 1.13 -1.17 -3.42 117.38 112.46 1sj9 n GLN 4020Ca 0.08 0.02 -0.22 0.00 -1.94 0.00 0.00 57.00 54.94 1sj9 n GLN 4020Cb 0.39 -1.25 0.03 0.00 0.11 0.00 0.00 30.24 29.52 1sj9 n GLN 4020CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1sj9 s LEU 4021N -5.01 2.98 -0.30 1.08 0.20 -1.26 0.60 118.68 116.98 1sj9 s LEU 4021Ca -0.08 -0.98 -0.16 0.00 0.69 0.00 0.00 54.13 53.60 1sj9 s LEU 4021Cb 0.03 -1.51 0.17 0.00 -0.43 0.00 0.00 46.19 44.45 1sj9 s LEU 4021CO 0.37 -1.21 1.09 0.00 -0.29 0.00 0.00 176.35 176.31 1sj9 s ALA 4022N -2.69 -2.66 -0.36 5.97 0.00 -0.48 -2.83 121.76 118.71 1sj9 s ALA 4022Ca 0.51 2.04 -0.17 0.00 0.00 0.00 0.00 51.96 54.33 1sj9 s ALA 4022Cb -0.04 -1.97 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 1sj9 s ALA 4022CO 0.32 -0.63 0.47 0.42 0.00 0.00 0.00 175.76 176.34 1sj9 s ILE 4023N 1.74 5.05 -0.76 0.00 -1.09 0.13 -1.18 121.20 125.08 1sj9 s ILE 4023Ca -0.05 0.18 -0.09 0.00 -2.23 0.00 0.00 60.65 58.47 1sj9 s ILE 4023Cb -0.04 -3.95 0.20 0.00 -1.58 0.00 0.00 42.46 37.10 1sj9 s ILE 4023CO -0.15 -0.22 0.65 0.68 -1.23 0.00 0.00 174.94 174.67 1sj9 s VAL 4024N 2.29 4.81 0.00 2.92 -7.23 0.88 -3.00 120.40 121.07 1sj9 s VAL 4024Ca 0.16 -2.79 0.00 0.00 -1.81 0.00 0.00 61.98 57.55 1sj9 s VAL 4024Cb -0.16 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 32.77 1sj9 s VAL 4024CO 0.13 -0.98 0.00 -0.81 -0.31 0.00 0.00 175.10 173.13 1sj9 n PRO 4025N 3.63 0.49 0.00 4.82 -0.04 -1.22 -4.14 135.00 138.54 1sj9 n PRO 4025Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1sj9 n PRO 4025Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1sj9 n PRO 4025CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sj9 n GLY 4026N 5.00 -0.05 3.92 0.55 0.00 -1.26 -0.92 105.19 112.42 1sj9 n GLY 4026Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1sj9 n GLY 4026CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1sj9 s ASP 4027N -2.61 6.29 0.17 1.61 3.84 -1.26 -2.61 116.67 122.10 1sj9 s ASP 4027Ca 0.00 0.76 0.25 0.00 -0.00 0.00 0.00 52.55 53.56 1sj9 s ASP 4027Cb 0.00 -2.17 0.46 0.00 -1.38 0.00 0.00 42.92 39.82 1sj9 s ASP 4027CO 0.00 -0.46 1.45 1.55 -0.00 0.00 0.00 175.17 177.71 1sj9 h PRO 4028N 0.48 0.00 -0.05 2.11 0.13 -1.90 -3.11 132.00 129.66 1sj9 h PRO 4028Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1sj9 h PRO 4028Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1sj9 h PRO 4028CO 0.62 0.00 0.12 1.49 -0.23 0.00 0.00 178.00 179.99 1sj9 h GLU 4029N 0.00 0.00 0.00 0.86 4.22 -1.99 -1.16 114.58 116.52 1sj9 h GLU 4029Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1sj9 h GLU 4029Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1sj9 h GLU 4029CO 0.00 0.00 -0.04 0.54 -2.18 0.00 0.00 179.01 177.33 1sj9 n ARG 4030N -3.35 1.40 -0.06 1.92 1.74 -1.23 -4.78 116.66 112.30 1sj9 n ARG 4030Ca -0.02 -1.13 -0.15 0.00 -0.77 0.00 0.00 57.85 55.79 1sj9 n ARG 4030Cb 0.20 -0.79 -0.07 0.00 -1.02 0.00 0.00 32.46 30.78 1sj9 n ARG 4030CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sj9 h VAL 4031N 1.77 1.34 -0.35 1.55 2.07 -1.13 -3.18 116.25 118.31 1sj9 h VAL 4031Ca 0.00 -1.61 -0.12 0.00 0.82 0.00 0.00 66.70 65.78 1sj9 h VAL 4031Cb 0.81 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1sj9 h VAL 4031CO 0.00 0.50 -0.27 1.05 0.02 0.00 0.00 177.57 178.86 1sj9 h GLU 4032N 0.24 0.74 -0.48 1.57 4.11 -1.87 -2.59 114.58 116.30 1sj9 h GLU 4032Ca 0.01 -0.32 0.14 0.00 0.07 0.00 0.00 59.36 59.26 1sj9 h GLU 4032Cb 0.98 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1sj9 h GLU 4032CO 0.08 0.93 0.59 0.87 0.07 0.00 0.00 179.01 181.55 1sj9 h LYS 4033N 0.63 0.00 0.00 1.06 1.57 -1.85 1.27 116.57 119.25 1sj9 h LYS 4033Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1sj9 h LYS 4033Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1sj9 h LYS 4033CO 0.06 0.00 -0.19 0.82 -0.57 0.00 0.00 179.45 179.57 1sj9 h ILE 4034N 0.00 0.78 -0.51 1.86 5.03 -1.54 -3.29 117.51 119.85 1sj9 h ILE 4034Ca 0.23 -1.64 0.07 0.00 -0.12 0.00 0.00 64.86 63.40 1sj9 h ILE 4034Cb 1.40 1.52 -0.09 0.00 -3.03 0.00 0.00 36.82 36.62 1sj9 h ILE 4034CO -0.00 0.26 -0.52 0.00 -0.68 0.00 0.00 178.15 177.21 1sj9 h ALA 4035N -0.57 -0.61 -0.85 1.87 0.00 -0.10 -0.11 119.26 118.89 1sj9 h ALA 4035Ca -0.04 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.17 1sj9 h ALA 4035Cb 0.57 1.08 -0.16 0.00 0.00 0.00 0.00 17.79 19.29 1sj9 h ALA 4035CO -0.02 -0.97 0.08 0.00 0.00 0.00 0.00 179.25 178.34 1sj9 n ALA 4036N -3.12 0.50 0.97 0.00 0.00 0.39 0.26 120.51 119.52 1sj9 n ALA 4036Ca -0.01 0.91 0.04 0.00 0.00 0.00 0.00 53.44 54.38 1sj9 n ALA 4036Cb 0.34 -0.70 0.26 0.00 0.00 0.00 0.00 19.45 19.35 1sj9 n ALA 4036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sj9 n LEU 4037N -5.19 0.00 0.00 0.00 4.77 -0.05 -4.74 117.00 111.79 1sj9 n LEU 4037Ca 0.22 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.14 1sj9 n LEU 4037Cb 0.72 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1sj9 n LEU 4037CO -0.05 0.00 -0.01 0.23 -1.33 0.00 0.00 177.39 176.23 1sj9 n MET 4038N -0.78 1.46 -4.31 3.23 2.81 0.73 -5.11 117.12 115.15 1sj9 n MET 4038Ca 0.07 -0.74 -0.35 0.00 -1.81 0.00 0.00 57.70 54.86 1sj9 n MET 4038Cb 0.03 0.12 -0.09 0.00 -0.71 0.00 0.00 33.22 32.57 1sj9 n MET 4038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1sj9 s ASP 4039N -1.65 5.33 -1.39 7.83 -0.00 -1.13 -4.60 116.67 121.06 1sj9 s ASP 4039Ca 0.04 0.15 -0.09 0.00 -0.00 0.00 0.00 52.55 52.65 1sj9 s ASP 4039Cb -0.00 -1.58 0.03 0.00 -0.00 0.00 0.00 42.92 41.37 1sj9 s ASP 4039CO 0.03 0.35 1.06 0.29 -0.00 0.00 0.00 175.17 176.90 1sj9 n LYS 4040N 2.32 -6.81 -1.67 8.23 4.76 -1.26 -0.78 118.16 122.95 1sj9 n LYS 4040Ca -0.19 0.74 -0.46 0.00 -2.87 0.00 0.00 58.31 55.54 1sj9 n LYS 4040Cb 0.54 -5.70 -0.04 0.00 -1.84 0.00 0.00 35.03 27.98 1sj9 n LYS 4040CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1sj9 n PRO 4041N -4.75 2.14 -3.58 1.97 -0.02 -1.25 -4.44 135.00 125.07 1sj9 n PRO 4041Ca -0.04 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 62.00 1sj9 n PRO 4041Cb 0.57 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 1sj9 n PRO 4041CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sj9 s VAL 4042N 0.93 -0.20 0.12 -1.45 1.01 0.11 -4.97 120.40 115.95 1sj9 s VAL 4042Ca 0.79 -0.04 -0.32 0.00 0.00 0.00 0.00 61.98 62.41 1sj9 s VAL 4042Cb -0.68 -0.55 -0.12 0.00 0.00 0.00 0.00 36.38 35.03 1sj9 s VAL 4042CO 0.38 -0.17 1.76 1.17 0.00 0.00 0.00 175.10 178.25 1sj9 n LYS 4043N 5.30 2.56 -0.01 2.72 4.81 -1.26 -3.07 118.16 129.21 1sj9 n LYS 4043Ca -0.06 0.93 -0.01 0.00 -0.87 0.00 0.00 58.31 58.30 1sj9 n LYS 4043Cb 0.49 -2.78 -0.00 0.00 0.02 0.00 0.00 35.03 32.76 1sj9 n LYS 4043CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1sj9 n LEU 4044N 4.96 0.27 -4.23 3.14 4.77 -0.97 -4.99 117.00 119.95 1sj9 n LEU 4044Ca 0.18 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 1sj9 n LEU 4044Cb 0.34 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 1sj9 n LEU 4044CO 0.66 -0.47 -0.32 0.00 -1.33 0.00 0.00 177.39 175.93 1sj9 s ALA 4045N -2.99 1.29 -0.33 -1.18 0.00 -1.12 -5.03 121.76 112.40 1sj9 s ALA 4045Ca -0.04 -1.58 -0.01 0.00 0.00 0.00 0.00 51.96 50.33 1sj9 s ALA 4045Cb 0.01 0.61 0.19 0.00 0.00 0.00 0.00 23.12 23.92 1sj9 s ALA 4045CO 0.06 -0.35 0.81 0.45 0.00 0.00 0.00 175.76 176.73 1sj9 s SER 4046N -3.16 -1.03 0.00 0.00 0.15 -1.24 -0.86 113.70 107.55 1sj9 s SER 4046Ca 0.24 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1sj9 s SER 4046Cb 0.06 1.49 0.00 0.00 -1.71 0.00 0.00 66.02 65.86 1sj9 s SER 4046CO 0.04 -0.16 0.00 1.41 1.20 0.00 0.00 173.24 175.73 1sj9 n HIS 4047N 4.72 0.00 0.00 3.44 8.25 -0.34 -4.93 115.22 126.36 1sj9 n HIS 4047Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1sj9 n HIS 4047Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 1sj9 n HIS 4047CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1sj9 n ARG 4048N 0.00 0.00 -0.41 -0.41 3.00 -1.26 -4.71 116.66 112.87 1sj9 n ARG 4048Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 57.85 58.04 1sj9 n ARG 4048Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 32.46 31.68 1sj9 n ARG 4048CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1sj9 n GLU 4049N -1.09 0.03 -3.36 5.56 4.07 -1.26 -4.95 120.64 119.64 1sj9 n GLU 4049Ca 0.00 -0.94 -0.46 0.00 -0.06 0.00 0.00 57.16 55.70 1sj9 n GLU 4049Cb 0.00 -0.51 -0.02 0.00 -0.06 0.00 0.00 31.44 30.84 1sj9 n GLU 4049CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1sj9 s PHE 4050N -0.04 3.82 -0.34 4.31 2.99 -1.26 -4.52 117.98 122.94 1sj9 s PHE 4050Ca 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 56.93 54.78 1sj9 s PHE 4050Cb 0.00 -3.78 0.07 0.00 0.00 0.00 0.00 43.02 39.31 1sj9 s PHE 4050CO 0.00 -0.97 0.07 0.99 -0.00 0.00 0.00 175.22 175.30 1sj9 s THR 4051N -0.06 3.06 0.12 0.64 2.01 -1.26 -1.20 115.64 118.95 1sj9 s THR 4051Ca 0.20 -1.63 0.08 0.00 0.31 0.00 0.00 61.69 60.64 1sj9 s THR 4051Cb -0.11 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1sj9 s THR 4051CO -0.09 -0.31 -0.10 -0.94 -0.69 0.00 0.00 174.62 172.49 1sj9 s SER 4052N 1.40 4.34 0.00 3.53 1.04 -0.04 -2.49 113.70 121.48 1sj9 s SER 4052Ca -0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1sj9 s SER 4052Cb -0.21 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.12 1sj9 s SER 4052CO -0.02 0.16 0.00 0.79 0.98 0.00 0.00 173.24 175.15 1sj9 n TRP 4053N 0.56 0.00 0.00 5.02 7.02 -1.02 -2.30 117.44 126.72 1sj9 n TRP 4053Ca -0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.35 1sj9 n TRP 4053Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1sj9 n TRP 4053CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 1sj9 n ARG 4054N 0.00 0.00 0.00 -0.99 0.00 -1.17 -4.29 116.66 110.21 1sj9 n ARG 4054Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1sj9 n ARG 4054Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1sj9 n ARG 4054CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sj9 n ALA 4055N 0.00 0.00 -3.47 5.13 0.00 -0.91 0.08 120.51 121.34 1sj9 n ALA 4055Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1sj9 n ALA 4055Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1sj9 n ALA 4055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sj9 s GLU 4056N 4.36 1.11 -0.21 0.00 2.02 0.04 -3.84 118.70 122.18 1sj9 s GLU 4056Ca 0.00 -0.16 -0.04 0.00 0.02 0.00 0.00 54.97 54.79 1sj9 s GLU 4056Cb 0.00 0.52 0.11 0.00 0.10 0.00 0.00 34.13 34.85 1sj9 s GLU 4056CO 0.00 -0.43 0.35 -1.17 0.02 0.00 0.00 175.26 174.03 1sj9 s LEU 4057N -2.08 -0.53 -1.39 1.80 1.98 0.12 -2.83 118.68 115.76 1sj9 s LEU 4057Ca -0.03 0.42 -0.04 0.00 -2.89 0.00 0.00 54.13 51.59 1sj9 s LEU 4057Cb -0.01 1.03 0.03 0.00 0.66 0.00 0.00 46.19 47.90 1sj9 s LEU 4057CO -0.04 -0.28 0.74 0.47 -1.89 0.00 0.00 176.35 175.35 1sj9 n ASP 4058N 5.36 -2.04 0.00 3.68 9.92 -1.26 -0.66 116.55 131.56 1sj9 n ASP 4058Ca -0.05 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.37 1sj9 n ASP 4058Cb 0.50 -3.85 0.00 0.00 -0.64 0.00 0.00 41.12 37.13 1sj9 n ASP 4058CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sj9 n GLY 4059N -1.66 0.58 3.94 0.44 0.00 -1.26 -5.01 105.19 102.23 1sj9 n GLY 4059Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 1sj9 n GLY 4059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sj9 s LYS 4060N -0.38 2.81 -0.15 1.61 -0.14 0.17 -5.10 119.74 118.55 1sj9 s LYS 4060Ca 0.00 -1.26 -0.03 0.00 -1.36 0.00 0.00 55.97 53.31 1sj9 s LYS 4060Cb 0.00 -2.63 -0.03 0.00 -1.68 0.00 0.00 37.83 33.49 1sj9 s LYS 4060CO 0.00 -0.10 -0.04 0.00 -0.76 0.00 0.00 175.35 174.45 1sj9 s ALA 4061N -2.33 2.99 0.16 5.17 0.00 -1.26 0.14 121.76 126.63 1sj9 s ALA 4061Ca 0.48 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.72 1sj9 s ALA 4061Cb -0.08 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1sj9 s ALA 4061CO 0.30 0.23 -0.23 0.08 0.00 0.00 0.00 175.76 176.14 1sj9 s VAL 4062N 0.33 2.10 0.02 0.00 1.01 -1.25 -3.07 120.40 119.54 1sj9 s VAL 4062Ca -0.04 -1.86 0.08 0.00 0.00 0.00 0.00 61.98 60.15 1sj9 s VAL 4062Cb -0.14 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1sj9 s VAL 4062CO 0.03 -0.11 -0.24 -0.63 0.00 0.00 0.00 175.10 174.15 1sj9 s ILE 4063N -1.54 1.94 -0.58 2.22 -1.09 -1.13 -2.13 121.20 118.89 1sj9 s ILE 4063Ca 0.16 -1.20 0.04 0.00 -2.23 0.00 0.00 60.65 57.42 1sj9 s ILE 4063Cb -0.08 -1.65 0.16 0.00 -1.58 0.00 0.00 42.46 39.31 1sj9 s ILE 4063CO 0.07 0.41 0.40 -0.69 -1.23 0.00 0.00 174.94 173.90 1sj9 s VAL 4064N -0.70 2.07 -0.00 2.92 1.01 -1.26 0.18 120.40 124.61 1sj9 s VAL 4064Ca 0.10 -3.58 -0.01 0.00 0.00 0.00 0.00 61.98 58.48 1sj9 s VAL 4064Cb -0.09 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1sj9 s VAL 4064CO 0.01 -1.03 0.12 0.00 0.00 0.00 0.00 175.10 174.20 1sj9 s SER 4066N -1.84 6.31 -0.20 0.00 1.04 -1.04 -3.43 113.70 114.54 1sj9 s SER 4066Ca 0.25 1.06 0.03 0.00 0.48 0.00 0.00 55.95 57.77 1sj9 s SER 4066Cb -0.12 -2.30 -0.14 0.00 0.10 0.00 0.00 66.02 63.55 1sj9 s SER 4066CO 0.16 -0.59 -0.15 0.35 0.98 0.00 0.00 173.24 173.99 1sj9 n THR 4067N -2.14 1.18 0.00 2.02 -2.24 -0.10 -4.51 114.28 108.48 1sj9 n THR 4067Ca 0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1sj9 n THR 4067Cb 0.55 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1sj9 n THR 4067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sj9 n GLY 4068N 2.44 -0.46 3.59 3.38 0.00 -1.12 -2.87 105.19 110.15 1sj9 n GLY 4068Ca -0.35 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.17 1sj9 n GLY 4068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sj9 s ILE 4069N 0.00 3.82 0.25 -0.61 1.01 -1.26 -4.80 121.20 119.61 1sj9 s ILE 4069Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1sj9 s ILE 4069Cb 0.00 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1sj9 s ILE 4069CO 0.00 0.59 0.00 0.61 0.00 0.00 0.00 174.94 176.14 1sj9 n GLY 4070N 2.29 -2.99 0.36 6.18 0.00 -1.26 -4.03 105.19 105.73 1sj9 n GLY 4070Ca -0.18 -1.26 0.11 0.00 0.00 0.00 0.00 46.02 44.69 1sj9 n GLY 4070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sj9 h GLY 4071N -0.48 0.93 0.47 -0.02 0.00 -1.83 -3.01 103.07 99.12 1sj9 h GLY 4071Ca -0.07 -0.26 0.12 0.00 0.00 0.00 0.00 47.33 47.12 1sj9 h GLY 4071CO 0.03 0.13 0.60 -2.55 0.00 0.00 0.00 176.54 174.75 1sj9 h PRO 4072N 0.62 0.93 0.38 4.80 0.11 -1.93 0.67 132.00 137.57 1sj9 h PRO 4072Ca 0.36 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.40 1sj9 h PRO 4072Cb 0.56 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1sj9 h PRO 4072CO -0.13 0.61 -0.18 1.03 -0.21 0.00 0.00 178.00 179.12 1sj9 h SER 4073N 0.95 -0.43 -0.56 -2.05 0.87 -1.66 -3.27 113.55 107.40 1sj9 h SER 4073Ca 0.48 -0.14 0.11 0.00 -1.23 0.00 0.00 61.79 61.02 1sj9 h SER 4073Cb 0.48 0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 62.45 1sj9 h SER 4073CO -0.27 -0.02 -0.02 0.74 -0.53 0.00 0.00 176.83 176.74 1sj9 h THR 4074N -0.93 0.53 -1.58 2.23 2.02 -1.33 -0.21 112.91 113.65 1sj9 h THR 4074Ca -0.05 -0.03 0.46 0.00 0.77 0.00 0.00 66.41 67.55 1sj9 h THR 4074Cb 0.54 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1sj9 h THR 4074CO 0.08 0.02 1.28 0.28 0.37 0.00 0.00 175.52 177.55 1sj9 h SER 4075N 0.10 0.00 0.08 4.18 0.02 -0.92 0.80 113.55 117.80 1sj9 h SER 4075Ca 0.29 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1sj9 h SER 4075Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1sj9 h SER 4075CO -0.49 0.00 -0.04 0.40 -1.14 0.00 0.00 176.83 175.56 1sj9 h ILE 4076N 0.00 0.00 -0.15 3.27 2.04 -1.13 -3.18 117.51 118.36 1sj9 h ILE 4076Ca 0.75 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1sj9 h ILE 4076Cb 3.30 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 39.32 1sj9 h ILE 4076CO -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.80 1sj9 h ALA 4077N -1.07 -0.41 0.00 1.87 0.00 -1.02 1.06 119.26 119.69 1sj9 h ALA 4077Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sj9 h ALA 4077Cb 0.08 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1sj9 h ALA 4077CO 0.02 -0.82 0.00 0.28 0.00 0.00 0.00 179.25 178.72 1sj9 n VAL 4078N -5.42 0.77 -0.01 0.00 0.31 0.07 0.07 118.33 114.12 1sj9 n VAL 4078Ca -0.03 0.19 -0.01 0.00 -0.01 0.00 0.00 64.34 64.48 1sj9 n VAL 4078Cb 0.34 -1.16 -0.01 0.00 -0.91 0.00 0.00 33.84 32.10 1sj9 n VAL 4078CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1sj9 n GLU 4079N -1.20 1.24 -0.10 5.55 4.07 0.49 -3.83 120.64 126.85 1sj9 n GLU 4079Ca 0.01 0.01 -0.09 0.00 -0.06 0.00 0.00 57.16 57.03 1sj9 n GLU 4079Cb 0.01 -1.03 0.06 0.00 -0.06 0.00 0.00 31.44 30.41 1sj9 n GLU 4079CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1sj9 h GLU 4080N 0.00 0.83 0.63 5.31 4.39 0.14 -3.16 114.58 122.72 1sj9 h GLU 4080Ca -0.04 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 1sj9 h GLU 4080Cb 1.07 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1sj9 h GLU 4080CO -0.00 0.99 -0.30 1.25 -1.16 0.00 0.00 179.01 179.78 1sj9 h LEU 4081N 0.71 -0.72 -1.83 1.33 5.85 -0.53 -3.16 115.31 116.95 1sj9 h LEU 4081Ca 0.09 0.02 0.28 0.00 0.84 0.00 0.00 57.88 59.12 1sj9 h LEU 4081Cb 0.80 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1sj9 h LEU 4081CO 0.07 -0.47 0.83 0.00 -0.34 0.00 0.00 178.44 178.53 1sj9 h ALA 4082N -1.52 2.85 0.00 1.25 0.00 -1.66 0.50 119.26 120.68 1sj9 h ALA 4082Ca -0.09 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1sj9 h ALA 4082Cb 0.65 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1sj9 h ALA 4082CO 0.14 -1.33 -0.66 1.96 0.00 0.00 0.00 179.25 179.36 1sj9 h GLN 4083N 0.00 0.00 0.00 0.00 4.20 -1.51 -2.91 115.11 114.88 1sj9 h GLN 4083Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1sj9 h GLN 4083Cb 2.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.89 1sj9 h GLN 4083CO -0.00 0.66 0.00 1.28 -0.67 0.00 0.00 178.83 180.10 1sj9 n LEU 4084N -3.65 0.00 0.00 1.46 4.32 0.17 -4.91 117.00 114.40 1sj9 n LEU 4084Ca -0.01 0.42 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 1sj9 n LEU 4084Cb 0.68 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1sj9 n LEU 4084CO 0.42 -0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 1sj9 n GLY 4085N 0.85 4.08 3.57 -0.72 0.00 -1.10 -4.76 105.19 107.11 1sj9 n GLY 4085Ca 0.08 -0.83 -0.50 0.00 0.00 0.00 0.00 46.02 44.77 1sj9 n GLY 4085CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sj9 n ILE 4086N 0.00 0.74 -0.18 -0.61 5.41 -1.22 -4.82 119.36 118.68 1sj9 n ILE 4086Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1sj9 n ILE 4086Cb 0.00 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 1sj9 n ILE 4086CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1sj9 n ARG 4087N 1.82 1.51 -5.04 0.38 5.12 0.20 -4.17 116.66 116.48 1sj9 n ARG 4087Ca 0.16 -0.21 -0.30 0.00 -1.93 0.00 0.00 57.85 55.57 1sj9 n ARG 4087Cb 0.23 -0.66 -0.17 0.00 -1.16 0.00 0.00 32.46 30.70 1sj9 n ARG 4087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1sj9 s THR 4088N -0.28 1.79 -0.27 0.55 2.01 -0.82 -2.28 115.64 116.34 1sj9 s THR 4088Ca 0.00 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 1sj9 s THR 4088Cb 0.00 -1.56 0.08 0.00 0.01 0.00 0.00 72.50 71.03 1sj9 s THR 4088CO 0.00 0.50 0.06 -0.36 -0.69 0.00 0.00 174.62 174.13 1sj9 s PHE 4089N 0.38 1.74 -0.14 4.92 0.40 -0.93 -1.38 117.98 122.98 1sj9 s PHE 4089Ca -0.16 -1.59 -0.09 0.00 -0.60 0.00 0.00 56.93 54.49 1sj9 s PHE 4089Cb -0.17 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1sj9 s PHE 4089CO 0.07 -0.80 0.17 -0.51 0.70 0.00 0.00 175.22 174.85 1sj9 s LEU 4090N 1.61 4.33 -0.16 -0.37 1.43 -0.33 -1.97 118.68 123.22 1sj9 s LEU 4090Ca 0.05 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1sj9 s LEU 4090Cb -0.18 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1sj9 s LEU 4090CO -0.17 0.31 -0.16 -0.60 0.23 0.00 0.00 176.35 175.95 1sj9 s ARG 4091N -0.49 3.16 0.00 1.70 3.52 -0.34 -0.08 118.95 126.42 1sj9 s ARG 4091Ca 0.14 -0.77 0.03 0.00 -0.13 0.00 0.00 55.73 55.00 1sj9 s ARG 4091Cb -0.12 -2.61 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 1sj9 s ARG 4091CO 0.03 -0.04 -0.08 -1.50 -0.81 0.00 0.00 175.30 172.90 1sj9 s ILE 4092N 0.94 3.57 0.00 4.11 -1.16 -1.26 -1.02 121.20 126.38 1sj9 s ILE 4092Ca -0.03 -0.79 0.00 0.00 -0.51 0.00 0.00 60.65 59.31 1sj9 s ILE 4092Cb -0.15 -2.54 0.00 0.00 0.61 0.00 0.00 42.46 40.38 1sj9 s ILE 4092CO -0.03 0.40 0.00 0.61 -2.81 0.00 0.00 174.94 173.12 1sj9 n GLY 4093N 1.60 1.11 3.87 1.50 0.00 -1.01 -4.40 105.19 107.85 1sj9 n GLY 4093Ca -0.16 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1sj9 n GLY 4093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sj9 s THR 4094N -1.92 3.46 0.31 2.61 -4.23 -1.26 -1.64 115.64 112.97 1sj9 s THR 4094Ca 0.00 0.47 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 1sj9 s THR 4094Cb 0.00 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.47 1sj9 s THR 4094CO 0.00 -0.62 0.61 1.07 -0.54 0.00 0.00 174.62 175.14 1sj9 n THR 4095N -3.08 0.00 -4.19 3.99 5.66 0.57 -4.73 114.28 112.49 1sj9 n THR 4095Ca 0.07 -0.88 -0.28 0.00 -3.05 0.00 0.00 64.05 59.91 1sj9 n THR 4095Cb 0.57 0.81 -0.04 0.00 -1.55 0.00 0.00 70.33 70.11 1sj9 n THR 4095CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1sj9 s GLY 4096N -2.68 2.54 0.01 1.09 0.00 -1.26 -0.57 107.32 106.45 1sj9 s GLY 4096Ca 0.14 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.63 1sj9 s GLY 4096CO 0.11 -2.00 -0.07 0.00 0.00 0.00 0.00 173.10 171.13 1sj9 s ALA 4097N -2.75 0.58 -0.04 3.20 0.00 -1.12 -4.23 121.76 117.40 1sj9 s ALA 4097Ca 0.28 -0.39 0.22 0.00 0.00 0.00 0.00 51.96 52.07 1sj9 s ALA 4097Cb 0.01 -0.11 -0.33 0.00 0.00 0.00 0.00 23.12 22.68 1sj9 s ALA 4097CO 0.17 0.11 0.46 -0.89 0.00 0.00 0.00 175.76 175.60 1sj9 n ILE 4098N 2.63 0.07 -3.28 0.00 2.08 0.17 -4.11 119.36 116.92 1sj9 n ILE 4098Ca -0.15 -0.52 -0.38 0.00 0.56 0.00 0.00 62.75 62.26 1sj9 n ILE 4098Cb 0.57 -0.02 -0.06 0.00 -0.75 0.00 0.00 39.64 39.38 1sj9 n ILE 4098CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1sj9 s GLN 4099N -3.46 4.29 0.55 0.38 -1.52 -1.26 -4.93 119.66 113.71 1sj9 s GLN 4099Ca -0.08 0.45 0.25 0.00 -1.95 0.00 0.00 55.36 54.03 1sj9 s GLN 4099Cb 0.13 -3.48 1.48 0.00 -0.22 0.00 0.00 33.01 30.92 1sj9 s GLN 4099CO 0.90 0.04 2.07 -1.35 -0.25 0.00 0.00 175.29 176.70 1sj9 h PRO 4100N 6.99 0.00 -0.41 2.91 0.11 -1.99 -2.33 132.00 137.29 1sj9 h PRO 4100Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1sj9 h PRO 4100Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sj9 h PRO 4100CO 0.75 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.15 1sj9 n HIS 4101N -4.16 0.53 -4.45 0.65 1.44 -1.26 -4.86 115.22 103.10 1sj9 n HIS 4101Ca 0.04 -0.24 -0.34 0.00 -2.01 0.00 0.00 57.72 55.17 1sj9 n HIS 4101Cb 0.38 -0.04 -0.12 0.00 0.12 0.00 0.00 29.99 30.34 1sj9 n HIS 4101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1sj9 s ILE 4102N -1.58 3.86 0.52 0.61 1.01 -0.88 -5.12 121.20 119.62 1sj9 s ILE 4102Ca 0.23 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.58 1sj9 s ILE 4102Cb 0.13 -2.67 0.04 0.00 0.01 0.00 0.00 42.46 39.98 1sj9 s ILE 4102CO 0.15 0.52 0.56 0.20 0.00 0.00 0.00 174.94 176.36 1sj9 s ASN 4103N 0.09 4.97 0.50 3.58 -0.87 -1.26 -4.98 114.94 116.97 1sj9 s ASN 4103Ca -0.01 -0.94 0.29 0.00 -1.57 0.00 0.00 52.86 50.63 1sj9 s ASN 4103Cb -0.14 0.10 1.04 0.00 -0.02 0.00 0.00 41.25 42.24 1sj9 s ASN 4103CO 0.03 -1.08 1.86 -0.37 -2.57 0.00 0.00 177.10 174.97 1sj9 h VAL 4104N 0.58 0.16 0.00 1.60 -1.51 -1.89 -2.99 116.25 112.20 1sj9 h VAL 4104Ca -0.35 -0.79 -0.05 0.00 -1.23 0.00 0.00 66.70 64.27 1sj9 h VAL 4104Cb 1.29 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 1sj9 h VAL 4104CO 0.50 0.07 -0.52 1.23 -1.23 0.00 0.00 177.57 177.62 1sj9 h GLY 4105N 2.44 0.00 -1.70 5.19 0.00 -1.95 -3.37 103.07 103.68 1sj9 h GLY 4105Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1sj9 h GLY 4105CO 0.01 0.00 0.15 1.22 0.00 0.00 0.00 176.54 177.92 1sj9 n ASP 4106N -3.03 0.39 -4.22 0.19 9.92 -1.13 -4.70 116.55 113.97 1sj9 n ASP 4106Ca 0.01 0.54 -0.29 0.00 -0.53 0.00 0.00 54.79 54.51 1sj9 n ASP 4106Cb 0.63 -1.44 -0.16 0.00 -0.64 0.00 0.00 41.12 39.50 1sj9 n ASP 4106CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1sj9 s VAL 4107N -2.20 1.81 -0.31 2.53 1.01 0.15 -2.17 120.40 121.23 1sj9 s VAL 4107Ca 0.70 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1sj9 s VAL 4107Cb -0.28 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.61 1sj9 s VAL 4107CO 0.54 0.51 0.03 -0.76 0.00 0.00 0.00 175.10 175.42 1sj9 s LEU 4108N -0.16 3.93 -0.46 3.92 1.02 0.22 0.10 118.68 127.26 1sj9 s LEU 4108Ca -0.02 -1.14 -0.23 0.00 0.02 0.00 0.00 54.13 52.76 1sj9 s LEU 4108Cb -0.12 -1.77 0.03 0.00 0.02 0.00 0.00 46.19 44.35 1sj9 s LEU 4108CO 0.02 -0.26 0.78 0.68 0.02 0.00 0.00 176.35 177.59 1sj9 s VAL 4109N 1.33 4.66 -0.21 -1.59 -7.23 0.28 -2.49 120.40 115.14 1sj9 s VAL 4109Ca -0.03 0.36 -0.29 0.00 -1.81 0.00 0.00 61.98 60.21 1sj9 s VAL 4109Cb -0.19 -4.32 0.01 0.00 0.56 0.00 0.00 36.38 32.43 1sj9 s VAL 4109CO -0.00 -0.73 1.06 -0.89 -0.31 0.00 0.00 175.10 174.22 1sj9 s THR 4110N 3.26 4.66 -0.05 5.32 2.01 -0.94 -2.68 115.64 127.22 1sj9 s THR 4110Ca 0.29 1.99 -0.24 0.00 0.31 0.00 0.00 61.69 64.04 1sj9 s THR 4110Cb -0.12 -4.28 -0.23 0.00 0.01 0.00 0.00 72.50 67.87 1sj9 s THR 4110CO 0.22 -0.16 1.04 0.74 -0.69 0.00 0.00 174.62 175.77 1sj9 h THR 4111N 5.41 1.54 -2.59 -0.82 2.02 -1.45 -3.41 112.91 113.61 1sj9 h THR 4111Ca -0.21 -1.94 0.13 0.00 0.77 0.00 0.00 66.41 65.16 1sj9 h THR 4111Cb 1.07 2.74 -0.06 0.00 -1.74 0.00 0.00 68.15 70.17 1sj9 h THR 4111CO 0.97 0.53 0.40 0.00 0.37 0.00 0.00 175.52 177.79 1sj9 s ALA 4112N -3.15 -1.46 0.04 6.16 0.00 -1.25 0.29 121.76 122.40 1sj9 s ALA 4112Ca -0.16 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1sj9 s ALA 4112Cb 0.01 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 1sj9 s ALA 4112CO 0.75 -1.04 -0.09 -1.12 0.00 0.00 0.00 175.76 174.26 1sj9 s SER 4113N -2.99 0.97 0.11 0.00 0.01 -1.11 -2.04 113.70 108.65 1sj9 s SER 4113Ca 0.13 -0.53 -0.31 0.00 1.31 0.00 0.00 55.95 56.55 1sj9 s SER 4113Cb -0.03 0.02 -0.09 0.00 0.21 0.00 0.00 66.02 66.13 1sj9 s SER 4113CO 0.05 -0.17 1.58 -0.69 0.41 0.00 0.00 173.24 174.42 1sj9 s VAL 4114N -1.28 2.95 -1.20 3.43 1.01 0.24 -4.59 120.40 120.96 1sj9 s VAL 4114Ca -0.08 0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 1sj9 s VAL 4114Cb -0.09 -3.36 0.20 0.00 0.00 0.00 0.00 36.38 33.13 1sj9 s VAL 4114CO 0.01 0.02 1.46 -2.11 0.00 0.00 0.00 175.10 174.48 1sj9 n ARG 4115N 4.78 3.51 -0.41 2.72 1.85 -1.26 -2.21 116.66 125.64 1sj9 n ARG 4115Ca 0.14 -3.95 0.08 0.00 -1.00 0.00 0.00 57.85 53.12 1sj9 n ARG 4115Cb 0.40 -2.90 0.26 0.00 -1.05 0.00 0.00 32.46 29.17 1sj9 n ARG 4115CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1sj9 n LEU 4116N 4.54 3.47 0.00 2.89 4.77 -0.99 -4.85 117.00 126.83 1sj9 n LEU 4116Ca 0.34 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1sj9 n LEU 4116Cb 0.40 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1sj9 n LEU 4116CO 0.64 0.67 0.00 -0.90 -1.33 0.00 0.00 177.39 176.46 1sj9 n ASP 4117N 0.90 0.00 0.00 -1.43 5.75 0.39 -3.93 116.55 118.23 1sj9 n ASP 4117Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1sj9 n ASP 4117Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1sj9 n ASP 4117CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sj9 n GLY 4118N 4.96 0.20 0.03 6.12 0.00 -1.26 -4.76 105.19 110.48 1sj9 n GLY 4118Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1sj9 n GLY 4118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 n ALA 4119N -1.25 2.14 -0.15 4.61 0.00 -1.26 -3.34 120.51 121.26 1sj9 n ALA 4119Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1sj9 n ALA 4119Cb 0.00 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.12 1sj9 n ALA 4119CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sj9 h SER 4120N 0.00 0.90 0.28 0.00 4.64 -1.91 -2.33 113.55 115.12 1sj9 h SER 4120Ca 0.00 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1sj9 h SER 4120Cb 0.49 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1sj9 h SER 4120CO 0.00 0.99 0.00 0.18 -0.87 0.00 0.00 176.83 177.13 1sj9 n LEU 4121N -4.17 0.10 0.05 5.97 4.77 -1.21 -0.22 117.00 122.29 1sj9 n LEU 4121Ca 0.02 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 1sj9 n LEU 4121Cb 0.35 -0.53 0.51 0.00 -2.33 0.00 0.00 43.42 41.42 1sj9 n LEU 4121CO 0.44 -0.44 0.92 1.41 -1.33 0.00 0.00 177.39 178.39 1sj9 n HIS 4122N -1.63 0.48 -0.02 -1.77 8.25 -0.88 -4.13 115.22 115.53 1sj9 n HIS 4122Ca 0.02 0.14 -0.03 0.00 -0.26 0.00 0.00 57.72 57.59 1sj9 n HIS 4122Cb 0.10 -0.73 -0.03 0.00 1.12 0.00 0.00 29.99 30.45 1sj9 n HIS 4122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sj9 n PHE 4123N -1.89 0.00 -3.64 4.41 3.01 0.69 -5.07 117.46 114.96 1sj9 n PHE 4123Ca 0.06 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.45 1sj9 n PHE 4123Cb 0.39 -0.19 -0.07 0.00 -0.01 0.00 0.00 39.48 39.59 1sj9 n PHE 4123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1sj9 s ALA 4124N -2.10 -1.94 0.45 4.37 0.00 -0.74 -4.94 121.76 116.86 1sj9 s ALA 4124Ca -0.05 2.34 -0.20 0.00 0.00 0.00 0.00 51.96 54.05 1sj9 s ALA 4124Cb 0.02 -1.45 -0.14 0.00 0.00 0.00 0.00 23.12 21.54 1sj9 s ALA 4124CO 0.13 -0.37 0.15 -0.35 0.00 0.00 0.00 175.76 175.33 1sj9 n PRO 4125N 3.99 0.14 0.00 0.00 -0.04 -1.26 -4.29 135.00 133.54 1sj9 n PRO 4125Ca -0.19 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1sj9 n PRO 4125Cb 0.58 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1sj9 n PRO 4125CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1sj9 n MET 4126N 1.13 0.00 0.10 0.54 1.56 -1.26 -0.95 117.12 118.24 1sj9 n MET 4126Ca 0.10 0.07 -0.24 0.00 -0.27 0.00 0.00 57.70 57.37 1sj9 n MET 4126Cb 0.42 -1.52 -0.15 0.00 2.15 0.00 0.00 33.22 34.12 1sj9 n MET 4126CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1sj9 h GLU 4127N 0.00 0.44 -6.93 2.12 3.07 -2.03 -3.46 114.58 107.79 1sj9 h GLU 4127Ca 0.00 -0.75 -0.53 0.00 -0.50 0.00 0.00 59.36 57.58 1sj9 h GLU 4127Cb 0.05 0.28 0.09 0.00 -0.84 0.00 0.00 28.75 28.33 1sj9 h GLU 4127CO 0.00 1.36 0.68 0.12 -1.40 0.00 0.00 179.01 179.77 1sj9 s PHE 4128N -2.57 2.79 0.26 4.33 2.19 -0.12 -4.99 117.98 119.87 1sj9 s PHE 4128Ca -0.14 1.33 -0.26 0.00 0.33 0.00 0.00 56.93 58.19 1sj9 s PHE 4128Cb 0.05 -3.80 -0.09 0.00 -1.31 0.00 0.00 43.02 37.87 1sj9 s PHE 4128CO 0.88 -2.35 0.88 -1.25 1.83 0.00 0.00 175.22 175.21 1sj9 s PRO 4129N -2.08 4.60 -1.21 10.12 0.04 -1.26 -4.95 135.00 140.26 1sj9 s PRO 4129Ca 0.54 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.80 1sj9 s PRO 4129Cb -0.42 -3.01 0.20 0.00 0.04 0.00 0.00 34.50 31.32 1sj9 s PRO 4129CO 0.55 0.41 2.04 0.00 0.04 0.00 0.00 177.00 180.04 1sj9 n ALA 4130N 0.98 6.17 -2.65 8.56 0.00 -1.26 -4.63 120.51 127.68 1sj9 n ALA 4130Ca -0.01 -4.35 -0.31 0.00 0.00 0.00 0.00 53.44 48.77 1sj9 n ALA 4130Cb 0.49 -2.61 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 1sj9 n ALA 4130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sj9 s VAL 4131N -1.90 5.14 0.03 0.00 0.11 -1.26 -2.75 120.40 119.77 1sj9 s VAL 4131Ca 0.45 0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.28 1sj9 s VAL 4131Cb 0.15 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 1sj9 s VAL 4131CO -0.06 0.01 0.89 0.00 -3.33 0.00 0.00 175.10 172.61 1sj9 s ALA 4132N -1.69 3.25 0.16 1.54 0.00 0.83 -4.76 121.76 121.10 1sj9 s ALA 4132Ca 0.42 0.44 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 1sj9 s ALA 4132Cb -0.12 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1sj9 s ALA 4132CO 0.25 -0.10 1.73 0.34 0.00 0.00 0.00 175.76 177.97 1sj9 s ASP 4133N 0.51 6.44 0.11 0.00 2.15 -0.99 -4.70 116.67 120.19 1sj9 s ASP 4133Ca 0.46 2.77 -0.20 0.00 0.43 0.00 0.00 52.55 56.00 1sj9 s ASP 4133Cb -0.21 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.78 1sj9 s ASP 4133CO 0.26 -0.95 1.09 0.33 -0.17 0.00 0.00 175.17 175.72 1sj9 n PHE 4134N 4.67 -0.29 -0.06 -5.34 7.35 -1.26 0.35 117.46 122.88 1sj9 n PHE 4134Ca 0.16 0.82 -0.12 0.00 -0.76 0.00 0.00 57.45 57.55 1sj9 n PHE 4134Cb 0.37 -0.54 -0.07 0.00 0.35 0.00 0.00 39.48 39.59 1sj9 n PHE 4134CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1sj9 h ALA 4135N 0.25 -0.62 0.00 3.13 0.00 -1.96 1.62 119.26 121.69 1sj9 h ALA 4135Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1sj9 h ALA 4135Cb 0.27 0.90 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1sj9 h ALA 4135CO -0.62 -0.95 -0.24 0.00 0.00 0.00 0.00 179.25 177.44 1sj9 h THR 4137N 0.00 1.10 0.03 0.00 2.02 0.19 -3.18 112.91 113.07 1sj9 h THR 4137Ca -0.00 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 1sj9 h THR 4137Cb 0.44 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1sj9 h THR 4137CO 0.03 0.26 -0.02 0.74 0.37 0.00 0.00 175.52 176.91 1sj9 h THR 4138N -0.70 1.04 -0.95 3.16 2.02 0.27 -3.18 112.91 114.57 1sj9 h THR 4138Ca -0.01 -0.22 0.22 0.00 0.77 0.00 0.00 66.41 67.17 1sj9 h THR 4138Cb 0.53 1.18 -0.08 0.00 -1.74 0.00 0.00 68.15 68.05 1sj9 h THR 4138CO 0.02 0.06 0.62 0.00 0.37 0.00 0.00 175.52 176.59 1sj9 h ALA 4139N 0.83 2.19 -0.01 6.16 0.00 0.67 0.21 119.26 129.31 1sj9 h ALA 4139Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sj9 h ALA 4139Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sj9 h ALA 4139CO 0.01 -0.51 0.00 1.28 0.00 0.00 0.00 179.25 180.02 1sj9 n LEU 4140N -4.55 0.21 -0.12 0.00 7.99 -1.20 -3.08 117.00 116.25 1sj9 n LEU 4140Ca 0.21 -0.08 -0.19 0.00 -0.01 0.00 0.00 56.01 55.95 1sj9 n LEU 4140Cb 0.74 -0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.94 1sj9 n LEU 4140CO 0.29 0.04 -1.31 0.52 -1.51 0.00 0.00 177.39 175.42 1sj9 n VAL 4141N -0.79 1.39 -0.12 4.08 0.31 0.67 -3.91 118.33 119.96 1sj9 n VAL 4141Ca 0.21 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.99 1sj9 n VAL 4141Cb 0.13 -1.44 0.02 0.00 -0.91 0.00 0.00 33.84 31.64 1sj9 n VAL 4141CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1sj9 h GLU 4142N -0.16 -0.05 0.35 5.55 4.39 -1.32 -2.34 114.58 120.99 1sj9 h GLU 4142Ca -0.56 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.14 1sj9 h GLU 4142Cb 1.79 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.44 1sj9 h GLU 4142CO -0.14 -0.04 -0.24 0.00 -1.16 0.00 0.00 179.01 177.43 1sj9 h ALA 4143N 1.30 -0.57 0.00 3.43 0.00 -1.74 0.15 119.26 121.83 1sj9 h ALA 4143Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sj9 h ALA 4143Cb 0.36 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sj9 h ALA 4143CO -0.45 -0.84 0.00 0.00 0.00 0.00 0.00 179.25 177.96 1sj9 n ALA 4144N -2.46 1.11 -0.03 0.00 0.00 -1.09 -0.58 120.51 117.46 1sj9 n ALA 4144Ca -0.10 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.37 1sj9 n ALA 4144Cb 0.28 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 1sj9 n ALA 4144CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sj9 n LYS 4145N -1.50 0.78 0.14 0.00 0.00 -0.76 -0.02 118.16 116.80 1sj9 n LYS 4145Ca 0.01 -0.11 0.08 0.00 0.00 0.00 0.00 58.31 58.28 1sj9 n LYS 4145Cb 0.03 -1.42 0.05 0.00 0.00 0.00 0.00 35.03 33.69 1sj9 n LYS 4145CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1sj9 h SER 4146N 0.00 0.00 0.00 3.14 4.64 0.18 -3.27 113.55 118.24 1sj9 h SER 4146Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1sj9 h SER 4146Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1sj9 h SER 4146CO 0.01 0.18 -1.58 2.30 -0.87 0.00 0.00 176.83 176.87 1sj9 n ILE 4147N -2.95 0.00 -0.28 0.95 -5.35 -0.28 -5.01 119.36 106.45 1sj9 n ILE 4147Ca 0.00 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1sj9 n ILE 4147Cb 0.62 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 1sj9 n ILE 4147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sj9 n GLY 4148N 1.37 0.84 3.82 3.28 0.00 -1.21 -5.08 105.19 108.21 1sj9 n GLY 4148Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1sj9 n GLY 4148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 s ALA 4149N -2.06 3.05 -0.17 4.61 0.00 0.97 -4.95 121.76 123.21 1sj9 s ALA 4149Ca 0.00 0.37 -0.28 0.00 0.00 0.00 0.00 51.96 52.05 1sj9 s ALA 4149Cb 0.00 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 1sj9 s ALA 4149CO 0.00 0.09 0.99 0.99 0.00 0.00 0.00 175.76 177.82 1sj9 s THR 4150N -2.23 4.76 0.08 0.00 2.01 -1.26 -4.34 115.64 114.65 1sj9 s THR 4150Ca 0.62 1.96 0.07 0.00 0.31 0.00 0.00 61.69 64.64 1sj9 s THR 4150Cb -0.09 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1sj9 s THR 4150CO 0.15 -0.06 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.02 1sj9 s THR 4151N 2.51 3.29 -0.13 -0.82 2.01 -1.26 -0.67 115.64 120.57 1sj9 s THR 4151Ca 0.45 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1sj9 s THR 4151Cb -0.17 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 69.86 1sj9 s THR 4151CO 0.12 0.19 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.10 1sj9 s HIS 4152N -1.13 2.05 0.45 4.92 3.76 0.29 -4.91 115.29 120.72 1sj9 s HIS 4152Ca 0.19 -1.07 -0.01 0.00 -0.15 0.00 0.00 55.06 54.02 1sj9 s HIS 4152Cb -0.11 -1.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.07 1sj9 s HIS 4152CO 0.11 -0.58 0.69 0.08 -0.85 0.00 0.00 174.74 174.19 1sj9 s VAL 4153N 1.29 4.27 -5.00 -0.90 1.01 -1.26 0.10 120.40 119.91 1sj9 s VAL 4153Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1sj9 s VAL 4153Cb -0.14 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1sj9 s VAL 4153CO -0.07 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1sj9 n GLY 4154N -2.11 0.21 3.80 4.51 0.00 -1.09 -4.87 105.19 105.63 1sj9 n GLY 4154Ca 0.01 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1sj9 n GLY 4154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sj9 s VAL 4155N -2.45 4.83 0.14 1.61 1.01 -1.26 -1.06 120.40 123.22 1sj9 s VAL 4155Ca 0.00 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.69 1sj9 s VAL 4155Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1sj9 s VAL 4155CO 0.00 0.32 -0.26 -0.89 0.00 0.00 0.00 175.10 174.27 1sj9 s THR 4156N -1.24 2.31 0.00 3.92 2.01 -0.87 -1.93 115.64 119.84 1sj9 s THR 4156Ca 0.24 -1.80 -0.18 0.00 0.31 0.00 0.00 61.69 60.26 1sj9 s THR 4156Cb -0.12 -2.04 -0.06 0.00 0.01 0.00 0.00 72.50 70.29 1sj9 s THR 4156CO 0.16 0.05 0.52 0.00 -0.69 0.00 0.00 174.62 174.66 1sj9 s ALA 4157N -1.18 3.57 -0.45 7.40 0.00 -0.68 0.80 121.76 131.21 1sj9 s ALA 4157Ca 0.15 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.08 1sj9 s ALA 4157Cb -0.10 -2.60 0.16 0.00 0.00 0.00 0.00 23.12 20.58 1sj9 s ALA 4157CO 0.07 0.29 0.32 0.45 0.00 0.00 0.00 175.76 176.89 1sj9 s SER 4158N -0.57 2.81 0.66 0.00 0.15 -0.94 -2.66 113.70 113.15 1sj9 s SER 4158Ca 0.28 -2.92 0.05 0.00 0.70 0.00 0.00 55.95 54.05 1sj9 s SER 4158Cb -0.18 -0.77 0.11 0.00 -1.71 0.00 0.00 66.02 63.48 1sj9 s SER 4158CO 0.16 -0.21 0.91 -0.55 1.20 0.00 0.00 173.24 174.75 1sj9 s SER 4159N 0.08 4.67 0.00 5.45 0.15 -1.25 0.15 113.70 122.94 1sj9 s SER 4159Ca 0.25 -0.67 0.16 0.00 0.70 0.00 0.00 55.95 56.40 1sj9 s SER 4159Cb -0.09 0.25 0.27 0.00 -1.71 0.00 0.00 66.02 64.73 1sj9 s SER 4159CO -0.10 -1.65 1.18 0.47 1.20 0.00 0.00 173.24 174.33 1sj9 n ASP 4160N -2.56 2.82 -4.49 5.45 9.92 -1.25 -4.53 116.55 121.89 1sj9 n ASP 4160Ca 0.16 -1.82 -0.32 0.00 -0.53 0.00 0.00 54.79 52.27 1sj9 n ASP 4160Cb 0.61 -0.15 -0.12 0.00 -0.64 0.00 0.00 41.12 40.82 1sj9 n ASP 4160CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1sj9 s THR 4161N -1.23 3.11 -0.94 -3.53 -4.23 -1.26 -4.99 115.64 102.57 1sj9 s THR 4161Ca 0.26 -0.83 0.26 0.00 -1.18 0.00 0.00 61.69 60.20 1sj9 s THR 4161Cb 0.16 -2.26 0.11 0.00 1.34 0.00 0.00 72.50 71.85 1sj9 s THR 4161CO 0.22 0.50 1.61 0.33 -0.54 0.00 0.00 174.62 176.74 1sj9 n PHE 4162N 2.01 0.13 0.04 3.99 7.35 -1.26 -4.23 117.46 125.49 1sj9 n PHE 4162Ca -0.17 0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.56 1sj9 n PHE 4162Cb 0.52 -0.43 0.00 0.00 0.35 0.00 0.00 39.48 39.92 1sj9 n PHE 4162CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1sj9 n TYR 4163N -1.63 -0.42 1.01 -5.13 4.01 -1.26 -4.70 117.16 109.04 1sj9 n TYR 4163Ca 0.06 0.08 0.06 0.00 -0.16 0.00 0.00 57.90 57.93 1sj9 n TYR 4163Cb 0.36 0.16 0.34 0.00 -0.31 0.00 0.00 39.34 39.89 1sj9 n TYR 4163CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1sj9 n PRO 4164N -3.21 0.50 -0.00 -0.72 -0.04 -1.25 -2.70 135.00 127.59 1sj9 n PRO 4164Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1sj9 n PRO 4164Cb 0.16 -1.36 0.02 0.00 -0.04 0.00 0.00 33.50 32.28 1sj9 n PRO 4164CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sj9 n GLY 4165N 0.01 -1.05 0.27 0.55 0.00 -1.26 -4.64 105.19 99.07 1sj9 n GLY 4165Ca 0.09 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1sj9 n GLY 4165CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sj9 n GLN 4166N 0.23 0.67 -2.44 1.61 0.00 -1.10 -4.93 117.38 111.43 1sj9 n GLN 4166Ca 0.02 -1.65 -0.04 0.00 0.00 0.00 0.00 57.00 55.34 1sj9 n GLN 4166Cb 0.11 -0.94 0.01 0.00 0.00 0.00 0.00 30.24 29.42 1sj9 n GLN 4166CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1sj9 n GLU 4167N -0.62 -1.89 -3.53 2.61 4.07 -1.23 -5.07 120.64 114.98 1sj9 n GLU 4167Ca 0.07 1.78 0.02 0.00 -0.06 0.00 0.00 57.16 58.96 1sj9 n GLU 4167Cb 0.64 -4.40 -0.06 0.00 -0.06 0.00 0.00 31.44 27.57 1sj9 n GLU 4167CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1sj9 s ARG 4168N -1.91 0.12 -0.33 5.31 0.52 -1.15 -5.07 118.95 116.43 1sj9 s ARG 4168Ca 0.14 0.24 0.01 0.00 -0.52 0.00 0.00 55.73 55.59 1sj9 s ARG 4168Cb -0.04 0.06 0.14 0.00 0.52 0.00 0.00 34.95 35.64 1sj9 s ARG 4168CO 0.55 -0.03 0.30 0.71 0.02 0.00 0.00 175.30 176.85 1sj9 s TYR 4169N 1.41 -0.14 0.00 -0.53 1.51 -1.26 -3.82 117.35 114.52 1sj9 s TYR 4169Ca -0.06 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 1sj9 s TYR 4169Cb -0.02 -0.55 0.00 0.00 -0.11 0.00 0.00 41.96 41.28 1sj9 s TYR 4169CO -0.13 -0.92 0.00 -3.47 -1.11 0.00 0.00 175.55 169.92 1sj9 n ASP 4170N 4.65 0.00 -4.54 2.29 4.64 -1.26 -4.96 116.55 117.37 1sj9 n ASP 4170Ca 0.05 -0.68 -0.43 0.00 -1.38 0.00 0.00 54.79 52.35 1sj9 n ASP 4170Cb 0.44 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.51 1sj9 n ASP 4170CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1sj9 s THR 4171N 0.00 4.34 0.00 5.18 -4.23 -1.26 -4.94 115.64 114.72 1sj9 s THR 4171Ca 0.00 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1sj9 s THR 4171Cb 0.00 -5.08 0.00 0.00 1.34 0.00 0.00 72.50 68.76 1sj9 s THR 4171CO 0.00 -1.89 0.00 0.00 -0.54 0.00 0.00 174.62 172.19 1sj9 n TYR 4172N 7.73 0.00 0.00 3.99 4.19 -1.26 -3.61 117.16 128.19 1sj9 n TYR 4172Ca 0.42 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.63 1sj9 n TYR 4172Cb 0.46 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.29 1sj9 n TYR 4172CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1sj9 n SER 4173N 0.00 0.00 -3.72 2.98 7.64 -1.26 -4.88 113.62 114.38 1sj9 n SER 4173Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1sj9 n SER 4173Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1sj9 n SER 4173CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sj9 n GLY 4174N 0.00 -1.30 3.37 0.23 0.00 -1.24 -4.93 105.19 101.33 1sj9 n GLY 4174Ca 0.00 0.60 -0.31 0.00 0.00 0.00 0.00 46.02 46.31 1sj9 n GLY 4174CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sj9 n ARG 4175N -2.53 -1.58 -3.58 1.61 1.74 -1.26 -5.01 116.66 106.06 1sj9 n ARG 4175Ca -0.29 -0.43 -0.13 0.00 -0.77 0.00 0.00 57.85 56.22 1sj9 n ARG 4175Cb 0.68 -1.89 -0.12 0.00 -1.02 0.00 0.00 32.46 30.11 1sj9 n ARG 4175CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1sj9 s VAL 4176N -2.33 -0.45 1.09 1.55 -7.23 -1.26 -5.04 120.40 106.74 1sj9 s VAL 4176Ca 0.60 0.13 -0.21 0.00 -1.81 0.00 0.00 61.98 60.70 1sj9 s VAL 4176Cb -0.18 -0.57 0.03 0.00 0.56 0.00 0.00 36.38 36.23 1sj9 s VAL 4176CO 0.66 0.01 -0.37 0.55 -0.31 0.00 0.00 175.10 175.64 1sj9 n VAL 4177N 5.35 0.00 -0.27 1.32 3.14 -1.26 -4.81 118.33 121.80 1sj9 n VAL 4177Ca -0.06 -0.23 0.20 0.00 -2.96 0.00 0.00 64.34 61.29 1sj9 n VAL 4177Cb 0.50 -0.46 0.50 0.00 -1.06 0.00 0.00 33.84 33.31 1sj9 n VAL 4177CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1sj9 h ARG 4178N -1.81 0.42 0.00 1.45 2.47 -2.03 -3.28 114.38 111.60 1sj9 h ARG 4178Ca -0.50 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.19 1sj9 h ARG 4178Cb 1.37 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1sj9 h ARG 4178CO 0.34 0.28 0.00 0.54 0.56 0.00 0.00 179.97 181.69 1sj9 n ARG 4179N -4.55 0.00 -1.08 0.04 1.74 -1.26 -4.65 116.66 106.90 1sj9 n ARG 4179Ca 0.21 0.15 -0.03 0.00 -0.77 0.00 0.00 57.85 57.40 1sj9 n ARG 4179Cb 0.73 -0.79 -0.04 0.00 -1.02 0.00 0.00 32.46 31.34 1sj9 n ARG 4179CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1sj9 n PHE 4180N -0.94 0.01 -3.36 -1.55 7.35 -1.24 -4.71 117.46 113.02 1sj9 n PHE 4180Ca 0.00 -0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 1sj9 n PHE 4180Cb 0.00 -0.53 -0.04 0.00 0.35 0.00 0.00 39.48 39.27 1sj9 n PHE 4180CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1sj9 s LYS 4181N 5.34 0.27 0.00 -4.13 2.20 -1.26 -4.62 119.74 117.54 1sj9 s LYS 4181Ca 0.21 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 1sj9 s LYS 4181Cb -0.13 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 1sj9 s LYS 4181CO 0.09 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1sj9 n GLY 4182N 4.99 0.51 0.33 5.54 0.00 -1.26 -4.87 105.19 110.42 1sj9 n GLY 4182Ca -0.09 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.17 1sj9 n GLY 4182CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sj9 h SER 4183N 0.00 0.34 -0.16 1.61 0.02 -1.91 -1.10 113.55 112.35 1sj9 h SER 4183Ca 0.00 0.21 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1sj9 h SER 4183Cb 0.11 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.79 1sj9 h SER 4183CO 0.00 -0.23 -0.46 -0.03 -1.14 0.00 0.00 176.83 174.97 1sj9 h MET 4184N 0.21 -0.49 -0.93 3.45 -1.53 -1.92 0.35 114.93 114.06 1sj9 h MET 4184Ca 0.73 0.03 0.27 0.00 -3.44 0.00 0.00 59.70 57.29 1sj9 h MET 4184Cb 1.71 0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 32.83 1sj9 h MET 4184CO -0.67 -0.33 0.77 0.93 0.14 0.00 0.00 176.91 177.75 1sj9 h GLU 4185N -0.51 0.00 0.08 0.39 5.08 -1.60 0.47 114.58 118.49 1sj9 h GLU 4185Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1sj9 h GLU 4185Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1sj9 h GLU 4185CO -0.43 0.00 -0.04 0.93 -1.00 0.00 0.00 179.01 178.47 1sj9 h GLU 4186N 0.00 -0.11 -0.98 2.33 5.08 -0.36 -3.27 114.58 117.28 1sj9 h GLU 4186Ca 0.44 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 59.05 1sj9 h GLU 4186Cb 1.97 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 31.12 1sj9 h GLU 4186CO -0.00 -0.07 0.55 -1.49 -1.00 0.00 0.00 179.01 177.00 1sj9 h TRP 4187N -0.30 0.94 -0.85 4.33 4.06 -0.74 0.75 115.95 124.13 1sj9 h TRP 4187Ca -0.01 0.04 0.19 0.00 2.06 0.00 0.00 58.89 61.17 1sj9 h TRP 4187Cb 0.09 -0.26 -0.11 0.00 -1.00 0.00 0.00 29.16 27.87 1sj9 h TRP 4187CO 0.05 0.04 0.36 0.37 -3.56 0.00 0.00 178.44 175.70 1sj9 h GLN 4188N 0.54 0.42 0.00 0.49 -0.00 -1.03 0.75 115.11 116.27 1sj9 h GLN 4188Ca 0.63 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 59.15 1sj9 h GLN 4188Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.57 1sj9 h GLN 4188CO -0.49 0.28 -0.49 0.00 0.00 0.00 0.00 178.83 178.12 1sj9 h ALA 4189N 1.65 0.84 0.00 3.38 0.00 -0.91 -3.11 119.26 121.12 1sj9 h ALA 4189Ca 0.51 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sj9 h ALA 4189Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sj9 h ALA 4189CO -0.48 0.62 -0.28 -1.33 0.00 0.00 0.00 179.25 177.77 1sj9 n MET 4190N -3.45 0.15 0.00 0.00 2.81 0.21 -4.97 117.12 111.87 1sj9 n MET 4190Ca 0.00 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1sj9 n MET 4190Cb 0.62 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1sj9 n MET 4190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sj9 n GLY 4191N 1.40 0.47 3.77 3.03 0.00 0.15 -5.04 105.19 108.97 1sj9 n GLY 4191Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1sj9 n GLY 4191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sj9 s VAL 4192N -2.00 2.36 -0.24 1.61 1.01 -1.05 -4.55 120.40 117.55 1sj9 s VAL 4192Ca 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 1sj9 s VAL 4192Cb 0.00 -3.19 -0.12 0.00 0.00 0.00 0.00 36.38 33.06 1sj9 s VAL 4192CO 0.00 0.05 -0.26 0.23 0.00 0.00 0.00 175.10 175.12 1sj9 n MET 4193N 0.06 0.54 -4.62 2.72 0.00 -0.81 -4.50 117.12 110.51 1sj9 n MET 4193Ca 0.04 0.18 -0.29 0.00 0.00 0.00 0.00 57.70 57.64 1sj9 n MET 4193Cb 0.42 -1.40 -0.08 0.00 0.00 0.00 0.00 33.22 32.16 1sj9 n MET 4193CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1sj9 s ASN 4194N -6.73 3.38 -0.42 7.83 4.22 -1.26 0.46 114.94 122.42 1sj9 s ASN 4194Ca -0.32 -1.63 0.09 0.00 -2.14 0.00 0.00 52.86 48.85 1sj9 s ASN 4194Cb 0.11 0.42 0.42 0.00 1.28 0.00 0.00 41.25 43.48 1sj9 s ASN 4194CO 0.47 -0.85 1.05 -1.22 -2.04 0.00 0.00 177.10 174.50 1sj9 n TYR 4195N -1.05 2.77 -0.25 1.54 4.01 -1.26 -1.69 117.16 121.24 1sj9 n TYR 4195Ca -0.11 -3.12 0.00 0.00 -0.16 0.00 0.00 57.90 54.51 1sj9 n TYR 4195Cb 0.66 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1sj9 n TYR 4195CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1sj9 n GLU 4196N -0.33 -0.28 0.00 -0.72 -0.00 -1.09 -4.84 120.64 113.38 1sj9 n GLU 4196Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.46 1sj9 n GLU 4196Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.12 1sj9 n GLU 4196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1sj9 n MET 4197N -0.94 0.00 -0.09 3.44 2.81 -1.26 -3.76 117.12 117.32 1sj9 n MET 4197Ca 0.00 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.75 1sj9 n MET 4197Cb 0.00 -0.10 -0.08 0.00 -0.71 0.00 0.00 33.22 32.34 1sj9 n MET 4197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1sj9 n GLU 4198N 0.00 0.42 0.06 0.03 4.71 -1.26 -3.26 120.64 121.34 1sj9 n GLU 4198Ca 0.00 0.12 0.20 0.00 -0.01 0.00 0.00 57.16 57.47 1sj9 n GLU 4198Cb 0.05 -1.29 0.61 0.00 -1.01 0.00 0.00 31.44 29.80 1sj9 n GLU 4198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1sj9 h SER 4199N -0.18 0.00 -0.50 1.62 4.64 -1.97 -0.88 113.55 116.28 1sj9 h SER 4199Ca -0.41 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.96 1sj9 h SER 4199Cb 1.55 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.59 1sj9 h SER 4199CO -0.12 0.00 0.24 0.00 -0.87 0.00 0.00 176.83 176.08 1sj9 h ALA 4200N 1.08 0.63 0.12 5.18 0.00 -1.90 0.17 119.26 124.54 1sj9 h ALA 4200Ca 0.24 0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.88 1sj9 h ALA 4200Cb 1.62 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1sj9 h ALA 4200CO -0.00 -0.12 -1.41 1.15 0.00 0.00 0.00 179.25 178.87 1sj9 h THR 4201N 0.47 1.30 0.17 0.00 2.02 -1.49 -3.18 112.91 112.19 1sj9 h THR 4201Ca 0.22 -2.91 0.00 0.00 0.77 0.00 0.00 66.41 64.49 1sj9 h THR 4201Cb 0.15 2.84 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1sj9 h THR 4201CO -0.17 0.85 -0.30 0.25 0.37 0.00 0.00 175.52 176.52 1sj9 h LEU 4202N 0.07 -0.87 0.63 2.58 6.46 -1.14 0.21 115.31 123.25 1sj9 h LEU 4202Ca -0.20 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1sj9 h LEU 4202Cb 2.00 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 42.22 1sj9 h LEU 4202CO 0.18 -0.35 -0.51 -0.07 -0.62 0.00 0.00 178.44 177.07 1sj9 h LEU 4203N -0.50 -1.35 0.50 2.25 3.38 -1.14 -2.28 115.31 116.18 1sj9 h LEU 4203Ca -0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1sj9 h LEU 4203Cb 0.47 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1sj9 h LEU 4203CO -0.11 -0.71 -0.46 0.74 0.09 0.00 0.00 178.44 177.99 1sj9 h THR 4204N -1.10 0.08 -0.60 0.22 2.02 -1.59 0.34 112.91 112.28 1sj9 h THR 4204Ca -0.08 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.18 1sj9 h THR 4204Cb 0.92 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 1sj9 h THR 4204CO 0.01 0.00 0.25 0.00 0.37 0.00 0.00 175.52 176.15 1sj9 h MET 4205N -0.96 0.45 -0.08 6.66 -0.00 -0.66 0.32 114.93 120.66 1sj9 h MET 4205Ca -0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.60 1sj9 h MET 4205Cb 0.83 -0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 32.33 1sj9 h MET 4205CO -0.04 0.30 -0.03 0.00 -0.00 0.00 0.00 176.91 177.14 1sj9 h ALA 4207N 0.64 0.25 0.00 0.00 0.00 0.28 0.12 119.26 120.55 1sj9 h ALA 4207Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sj9 h ALA 4207Cb 0.46 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sj9 h ALA 4207CO 0.01 -0.45 0.00 -1.13 0.00 0.00 0.00 179.25 177.68 1sj9 n SER 4208N -5.26 0.39 -0.87 0.00 3.41 0.11 -3.48 113.62 107.92 1sj9 n SER 4208Ca 0.01 0.60 0.05 0.00 -0.26 0.00 0.00 58.87 59.27 1sj9 n SER 4208Cb 0.19 -0.68 0.16 0.00 -0.26 0.00 0.00 64.21 63.62 1sj9 n SER 4208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sj9 n GLN 4209N -1.93 1.21 -3.36 4.33 6.02 0.29 -5.04 117.38 118.90 1sj9 n GLN 4209Ca 0.03 -2.99 -0.15 0.00 -0.01 0.00 0.00 57.00 53.88 1sj9 n GLN 4209Cb 0.20 -1.21 0.03 0.00 1.02 0.00 0.00 30.24 30.27 1sj9 n GLN 4209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sj9 n GLY 4210N -0.69 -1.18 2.98 1.08 0.00 -0.46 -4.95 105.19 101.97 1sj9 n GLY 4210Ca 0.16 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 1sj9 n GLY 4210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sj9 s LEU 4211N -5.06 1.43 0.17 0.99 1.43 -0.76 -5.02 118.68 111.88 1sj9 s LEU 4211Ca 0.22 0.24 -0.26 0.00 -1.03 0.00 0.00 54.13 53.29 1sj9 s LEU 4211Cb -0.06 0.38 -0.08 0.00 0.03 0.00 0.00 46.19 46.46 1sj9 s LEU 4211CO 0.80 -0.06 0.81 -0.13 0.23 0.00 0.00 176.35 178.01 1sj9 s ARG 4212N 0.24 4.63 -0.16 1.70 0.52 -0.97 -4.29 118.95 120.62 1sj9 s ARG 4212Ca -0.01 1.23 -0.29 0.00 -0.52 0.00 0.00 55.73 56.14 1sj9 s ARG 4212Cb -0.03 -3.27 0.10 0.00 0.52 0.00 0.00 34.95 32.27 1sj9 s ARG 4212CO -0.01 0.54 0.86 0.00 0.02 0.00 0.00 175.30 176.71 1sj9 s ALA 4213N -1.07 -1.87 0.28 2.13 0.00 -1.26 -2.19 121.76 117.78 1sj9 s ALA 4213Ca 0.37 1.62 -0.01 0.00 0.00 0.00 0.00 51.96 53.94 1sj9 s ALA 4213Cb -0.24 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1sj9 s ALA 4213CO 0.27 -0.32 0.33 0.20 0.00 0.00 0.00 175.76 176.24 1sj9 s GLY 4214N -0.67 1.52 -0.23 0.00 0.00 -0.83 -2.34 107.32 104.77 1sj9 s GLY 4214Ca -0.04 -1.60 -0.06 0.00 0.00 0.00 0.00 44.72 43.03 1sj9 s GLY 4214CO 0.03 -1.17 0.45 -0.29 0.00 0.00 0.00 173.10 172.12 1sj9 s MET 4215N -3.62 0.38 -0.08 2.90 -2.45 -1.26 -1.20 119.30 113.97 1sj9 s MET 4215Ca 0.34 0.94 -0.02 0.00 -1.25 0.00 0.00 55.69 55.70 1sj9 s MET 4215Cb 0.02 0.18 -0.03 0.00 1.25 0.00 0.00 34.83 36.25 1sj9 s MET 4215CO 0.18 -0.39 0.03 0.54 1.05 0.00 0.00 175.02 176.43 1sj9 s VAL 4216N 2.65 4.50 -0.06 10.11 0.11 -0.19 -2.22 120.40 135.30 1sj9 s VAL 4216Ca 0.04 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.86 1sj9 s VAL 4216Cb -0.13 -2.92 0.04 0.00 -1.53 0.00 0.00 36.38 31.84 1sj9 s VAL 4216CO -0.15 0.59 0.12 0.00 -3.33 0.00 0.00 175.10 172.33 1sj9 s ALA 4217N -0.93 -0.13 -0.06 1.54 0.00 -1.04 -2.42 121.76 118.73 1sj9 s ALA 4217Ca 0.14 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.39 1sj9 s ALA 4217Cb -0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1sj9 s ALA 4217CO 0.03 -0.31 0.77 0.20 0.00 0.00 0.00 175.76 176.45 1sj9 s GLY 4218N 1.60 2.66 -0.71 0.00 0.00 -0.65 -0.61 107.32 109.60 1sj9 s GLY 4218Ca -0.04 0.22 -0.25 0.00 0.00 0.00 0.00 44.72 44.65 1sj9 s GLY 4218CO -0.05 1.31 1.15 0.54 0.00 0.00 0.00 173.10 176.05 1sj9 s VAL 4219N 0.91 4.00 0.14 1.40 0.11 -0.92 0.21 120.40 126.25 1sj9 s VAL 4219Ca 0.41 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.41 1sj9 s VAL 4219Cb -0.18 -4.82 -0.14 0.00 -1.53 0.00 0.00 36.38 29.71 1sj9 s VAL 4219CO 0.20 -1.68 1.36 0.16 -3.33 0.00 0.00 175.10 171.80 1sj9 h ILE 4220N 6.02 1.33 -4.26 7.04 3.07 -1.02 -3.37 117.51 126.32 1sj9 h ILE 4220Ca -0.27 -2.10 -0.26 0.00 1.55 0.00 0.00 64.86 63.78 1sj9 h ILE 4220Cb 1.06 2.10 -0.15 0.00 -0.27 0.00 0.00 36.82 39.56 1sj9 h ILE 4220CO 1.24 0.65 -0.63 0.68 -1.05 0.00 0.00 178.15 179.04 1sj9 s VAL 4221N -3.62 0.23 -0.30 0.16 -7.23 -1.11 -4.71 120.40 103.82 1sj9 s VAL 4221Ca -0.08 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.08 1sj9 s VAL 4221Cb 0.09 -2.37 0.17 0.00 0.56 0.00 0.00 36.38 34.84 1sj9 s VAL 4221CO 0.87 -0.18 0.61 0.21 -0.31 0.00 0.00 175.10 176.30 1sj9 s ASN 4222N -3.17 -1.26 0.19 4.85 3.84 -1.26 -2.79 114.94 115.34 1sj9 s ASN 4222Ca 0.33 1.08 -0.12 0.00 0.21 0.00 0.00 52.86 54.37 1sj9 s ASN 4222Cb 0.07 2.18 0.13 0.00 -0.55 0.00 0.00 41.25 43.08 1sj9 s ASN 4222CO 0.09 -0.25 1.85 0.03 -2.79 0.00 0.00 177.10 176.03 1sj9 h ARG 4223N 8.01 0.81 -0.24 0.43 -0.00 -1.99 -3.32 114.38 118.08 1sj9 h ARG 4223Ca -0.21 -0.05 0.03 0.00 -0.50 0.00 0.00 59.98 59.25 1sj9 h ARG 4223Cb 1.14 -0.18 -0.03 0.00 0.00 0.00 0.00 29.97 30.89 1sj9 h ARG 4223CO 0.21 0.54 -0.11 2.41 0.00 0.00 0.00 179.97 183.01 1sj9 n THR 4224N -4.66 -0.14 -3.60 2.04 -1.04 -1.26 -4.43 114.28 101.18 1sj9 n THR 4224Ca 0.06 0.58 -0.22 0.00 -2.04 0.00 0.00 64.05 62.42 1sj9 n THR 4224Cb 0.04 -0.74 -0.01 0.00 -1.82 0.00 0.00 70.33 67.80 1sj9 n THR 4224CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1sj9 s GLN 4225N -5.18 3.36 -0.51 -2.82 -0.44 -1.25 -5.00 119.66 107.81 1sj9 s GLN 4225Ca -0.03 -0.65 0.01 0.00 -2.50 0.00 0.00 55.36 52.18 1sj9 s GLN 4225Cb 0.04 -2.78 0.49 0.00 -1.64 0.00 0.00 33.01 29.12 1sj9 s GLN 4225CO 0.16 0.21 1.94 0.00 0.50 0.00 0.00 175.29 178.10 1sj9 n GLN 4226N -1.63 2.33 -3.30 1.67 10.64 -1.26 -4.96 117.38 120.87 1sj9 n GLN 4226Ca -0.05 -2.81 -0.38 0.00 -1.83 0.00 0.00 57.00 51.93 1sj9 n GLN 4226Cb 0.57 -2.10 -0.06 0.00 -0.86 0.00 0.00 30.24 27.79 1sj9 n GLN 4226CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1sj9 s GLU 4227N -3.19 4.26 -0.18 2.61 2.12 -1.26 -5.02 118.70 118.03 1sj9 s GLU 4227Ca 0.55 0.57 -0.29 0.00 0.36 0.00 0.00 54.97 56.16 1sj9 s GLU 4227Cb 0.44 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 31.43 1sj9 s GLU 4227CO 0.04 0.35 1.95 0.96 -0.54 0.00 0.00 175.26 178.01 1sj9 s ILE 4228N -0.04 3.26 -0.69 -3.70 -0.00 -1.26 -4.93 121.20 113.85 1sj9 s ILE 4228Ca 0.28 0.28 -0.27 0.00 -0.00 0.00 0.00 60.65 60.94 1sj9 s ILE 4228Cb -0.17 -3.29 0.01 0.00 -0.00 0.00 0.00 42.46 39.02 1sj9 s ILE 4228CO 0.14 -0.14 1.45 -2.16 -0.00 0.00 0.00 174.94 174.22 1sj9 s PRO 4229N 5.44 3.06 1.04 0.37 0.04 -1.26 -5.01 135.00 138.68 1sj9 s PRO 4229Ca 0.87 0.06 -0.12 0.00 0.04 0.00 0.00 61.00 61.86 1sj9 s PRO 4229Cb -0.31 -4.23 0.21 0.00 0.04 0.00 0.00 34.50 30.21 1sj9 s PRO 4229CO 0.35 -2.28 1.04 0.27 0.04 0.00 0.00 177.00 176.42 1sj9 n ASN 4230N 10.28 -0.75 0.05 6.66 2.04 -1.26 -4.96 115.26 127.33 1sj9 n ASN 4230Ca 0.09 0.14 0.04 0.00 -0.44 0.00 0.00 54.58 54.40 1sj9 n ASN 4230Cb 0.50 -1.36 -0.06 0.00 -2.53 0.00 0.00 39.78 36.33 1sj9 n ASN 4230CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1sj9 n ALA 4231N -4.59 2.12 0.01 -2.53 0.00 -1.26 -4.12 120.51 110.14 1sj9 n ALA 4231Ca 0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 1sj9 n ALA 4231Cb 0.53 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1sj9 n ALA 4231CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1sj9 h GLU 4232N 0.00 -0.12 -0.10 0.00 4.11 -2.01 -2.72 114.58 113.74 1sj9 h GLU 4232Ca -0.11 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1sj9 h GLU 4232Cb 1.40 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1sj9 h GLU 4232CO 0.03 -0.08 0.07 1.79 0.07 0.00 0.00 179.01 180.88 1sj9 h THR 4233N -0.13 1.03 0.00 -1.06 1.35 -1.97 0.24 112.91 112.37 1sj9 h THR 4233Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1sj9 h THR 4233Cb 0.14 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1sj9 h THR 4233CO -0.08 0.03 0.05 0.24 -0.25 0.00 0.00 175.52 175.50 1sj9 h MET 4234N 0.14 0.00 0.00 4.72 2.86 -1.64 -0.59 114.93 120.42 1sj9 h MET 4234Ca 0.04 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.52 1sj9 h MET 4234Cb -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1sj9 h MET 4234CO -0.01 0.00 -1.61 1.17 1.06 0.00 0.00 176.91 177.52 1sj9 n LYS 4235N -2.32 0.83 0.16 1.72 0.00 -0.53 -4.53 118.16 113.49 1sj9 n LYS 4235Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 58.31 58.27 1sj9 n LYS 4235Cb 0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 35.03 33.86 1sj9 n LYS 4235CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1sj9 h GLN 4236N 0.00 -0.44 -0.62 1.64 4.20 -0.03 -2.94 115.11 116.93 1sj9 h GLN 4236Ca -0.24 0.03 0.18 0.00 0.06 0.00 0.00 58.65 58.68 1sj9 h GLN 4236Cb 1.41 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 1sj9 h GLN 4236CO -0.03 -0.29 0.55 0.00 -0.67 0.00 0.00 178.83 178.39 1sj9 h THR 4237N -0.45 0.43 0.44 -0.54 1.03 -1.43 -1.43 112.91 110.96 1sj9 h THR 4237Ca -0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.34 1sj9 h THR 4237Cb 0.36 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.03 1sj9 h THR 4237CO 0.05 0.00 -0.21 -0.08 -0.01 0.00 0.00 175.52 175.26 1sj9 h GLU 4238N 0.00 -0.57 -1.01 0.00 4.81 -1.70 0.29 114.58 116.40 1sj9 h GLU 4238Ca 0.29 0.04 0.25 0.00 -0.13 0.00 0.00 59.36 59.81 1sj9 h GLU 4238Cb 1.39 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 30.81 1sj9 h GLU 4238CO -0.00 -0.28 0.65 0.77 -0.73 0.00 0.00 179.01 179.42 1sj9 h SER 4239N -0.82 0.48 0.37 1.04 0.02 -1.09 1.99 113.55 115.54 1sj9 h SER 4239Ca -0.06 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 1sj9 h SER 4239Cb 0.55 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1sj9 h SER 4239CO 0.10 0.12 -0.49 0.45 -1.14 0.00 0.00 176.83 175.87 1sj9 h HIS 4240N 0.44 0.17 0.00 3.45 3.86 -1.25 0.32 115.15 122.14 1sj9 h HIS 4240Ca 0.57 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.67 1sj9 h HIS 4240Cb 1.38 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.80 1sj9 h HIS 4240CO -0.00 0.61 -0.27 0.00 0.86 0.00 0.00 177.93 179.12 1sj9 h ALA 4241N 1.38 0.87 0.09 2.45 0.00 0.49 -1.10 119.26 123.45 1sj9 h ALA 4241Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 1sj9 h ALA 4241Cb 0.91 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1sj9 h ALA 4241CO 0.07 0.34 -1.37 0.28 0.00 0.00 0.00 179.25 178.58 1sj9 h VAL 4242N 0.00 1.33 -0.35 0.00 2.07 0.10 -3.24 116.25 116.16 1sj9 h VAL 4242Ca -0.00 -2.98 -0.14 0.00 0.82 0.00 0.00 66.70 64.40 1sj9 h VAL 4242Cb 1.06 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.62 1sj9 h VAL 4242CO 0.04 0.84 -0.35 0.11 0.02 0.00 0.00 177.57 178.23 1sj9 h LYS 4243N 0.05 0.81 -0.30 1.57 1.57 -0.10 -2.12 116.57 118.04 1sj9 h LYS 4243Ca -0.17 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1sj9 h LYS 4243Cb 1.96 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.25 1sj9 h LYS 4243CO 0.16 1.03 0.20 0.82 -0.57 0.00 0.00 179.45 181.09 1sj9 h ILE 4244N 0.67 1.08 -0.02 1.86 2.04 -1.29 0.69 117.51 122.55 1sj9 h ILE 4244Ca 0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1sj9 h ILE 4244Cb 0.90 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1sj9 h ILE 4244CO 0.08 0.08 -0.01 -0.37 0.00 0.00 0.00 178.15 177.93 1sj9 h VAL 4245N 0.40 1.34 -0.51 1.67 -1.51 -1.58 0.27 116.25 116.34 1sj9 h VAL 4245Ca 0.11 -1.04 0.07 0.00 -1.23 0.00 0.00 66.70 64.62 1sj9 h VAL 4245Cb -0.04 2.00 -0.06 0.00 -2.13 0.00 0.00 31.29 31.06 1sj9 h VAL 4245CO -0.02 0.27 0.16 0.58 -1.23 0.00 0.00 177.57 177.33 1sj9 h VAL 4246N -0.37 0.79 0.00 7.19 2.07 -1.30 1.23 116.25 125.86 1sj9 h VAL 4246Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1sj9 h VAL 4246Cb 0.45 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1sj9 h VAL 4246CO 0.00 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.03 1sj9 n GLU 4247N -5.03 0.18 0.00 1.57 4.71 0.24 -2.56 120.64 119.75 1sj9 n GLU 4247Ca 0.06 0.36 -0.02 0.00 -0.01 0.00 0.00 57.16 57.54 1sj9 n GLU 4247Cb 0.22 -1.81 -0.11 0.00 -1.01 0.00 0.00 31.44 28.73 1sj9 n GLU 4247CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sj9 n ALA 4248N -1.74 1.87 0.02 0.62 0.00 0.24 -4.07 120.51 117.45 1sj9 n ALA 4248Ca 0.03 -0.67 -0.09 0.00 0.00 0.00 0.00 53.44 52.71 1sj9 n ALA 4248Cb 0.26 -0.83 0.06 0.00 0.00 0.00 0.00 19.45 18.94 1sj9 n ALA 4248CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sj9 h ALA 4249N 1.34 0.71 -0.75 0.00 0.00 0.14 -3.13 119.26 117.58 1sj9 h ALA 4249Ca -0.22 -0.52 0.16 0.00 0.00 0.00 0.00 54.91 54.33 1sj9 h ALA 4249Cb 1.70 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 1sj9 h ALA 4249CO 0.05 0.70 0.51 -0.09 0.00 0.00 0.00 179.25 180.41 1sj9 h ARG 4250N 0.38 0.34 0.20 0.00 2.43 -1.69 -2.12 114.38 113.92 1sj9 h ARG 4250Ca 0.00 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.84 1sj9 h ARG 4250Cb 1.11 -0.08 0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1sj9 h ARG 4250CO 0.10 0.22 -1.41 0.00 -1.51 0.00 0.00 179.97 177.38 1sj9 h ARG 4251N 0.35 0.43 -0.10 0.20 3.08 -1.74 -3.31 114.38 113.29 1sj9 h ARG 4251Ca 0.37 -0.74 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1sj9 h ARG 4251Cb 0.94 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1sj9 h ARG 4251CO -0.11 1.35 0.00 1.28 -1.07 0.00 0.00 179.97 181.42 1sj9 n LEU 4252N -3.64 0.10 -0.68 3.04 4.77 -0.81 -5.17 117.00 114.62 1sj9 n LEU 4252Ca -0.14 -0.05 0.08 0.00 -0.03 0.00 0.00 56.01 55.87 1sj9 n LEU 4252Cb 1.07 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 42.18 1sj9 n LEU 4252CO 0.58 0.03 0.52 0.18 -1.33 0.00 0.00 177.39 177.36