#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx9 n SER 4022N 0.00 1.09 -4.60 4.04 2.88 -1.26 -4.85 113.62 110.91 1mx9 n SER 4022Ca 0.00 1.06 -0.39 0.00 -1.33 0.00 0.00 58.87 58.21 1mx9 n SER 4022Cb 0.00 -0.83 0.04 0.00 -0.75 0.00 0.00 64.21 62.66 1mx9 n SER 4022CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1mx9 n PRO 4023N 4.19 1.05 -2.42 -1.46 -0.02 -1.26 -4.95 135.00 130.13 1mx9 n PRO 4023Ca 0.32 0.39 -0.37 0.00 -2.02 0.00 0.00 63.50 61.82 1mx9 n PRO 4023Cb -0.05 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 1mx9 n PRO 4023CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mx9 s PRO 4024N -2.44 4.08 -0.15 0.52 0.04 -1.26 -4.88 135.00 130.91 1mx9 s PRO 4024Ca 0.70 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 63.39 1mx9 s PRO 4024Cb -0.46 -2.58 0.05 0.00 0.04 0.00 0.00 34.50 31.54 1mx9 s PRO 4024CO 0.51 -0.25 0.00 0.08 0.04 0.00 0.00 177.00 177.38 1mx9 s VAL 4025N -1.55 0.64 0.13 -0.36 1.01 -1.26 -1.23 120.40 117.78 1mx9 s VAL 4025Ca 0.58 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1mx9 s VAL 4025Cb -0.26 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1mx9 s VAL 4025CO 0.32 0.02 0.11 -0.69 0.00 0.00 0.00 175.10 174.87 1mx9 s VAL 4026N 1.83 4.51 -0.20 2.92 1.01 0.10 -4.92 120.40 125.65 1mx9 s VAL 4026Ca 0.01 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 1mx9 s VAL 4026Cb -0.15 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1mx9 s VAL 4026CO -0.07 -0.01 0.03 -1.81 0.00 0.00 0.00 175.10 173.24 1mx9 s ASP 4027N -2.80 5.16 0.44 3.32 1.01 -1.26 -0.60 116.67 121.95 1mx9 s ASP 4027Ca 0.30 -0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.51 1mx9 s ASP 4027Cb -0.11 -1.89 -0.05 0.00 1.01 0.00 0.00 42.92 41.88 1mx9 s ASP 4027CO 0.23 0.09 0.01 0.42 0.21 0.00 0.00 175.17 176.13 1mx9 s THR 4028N 0.86 1.63 0.24 -1.27 -4.23 -0.21 -4.83 115.64 107.83 1mx9 s THR 4028Ca 0.02 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.48 1mx9 s THR 4028Cb -0.14 -2.68 0.20 0.00 1.34 0.00 0.00 72.50 71.22 1mx9 s THR 4028CO 0.02 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.43 1mx9 h VAL 4029N 1.65 0.72 -0.00 2.29 2.07 -1.95 -2.32 116.25 118.69 1mx9 h VAL 4029Ca -0.44 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1mx9 h VAL 4029Cb 1.27 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1mx9 h VAL 4029CO 0.77 0.09 -0.25 1.41 0.02 0.00 0.00 177.57 179.61 1mx9 n HIS 4030N -4.96 0.00 -1.05 1.57 8.25 -1.26 -5.02 115.22 112.76 1mx9 n HIS 4030Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1mx9 n HIS 4030Cb 0.37 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1mx9 n HIS 4030CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mx9 n GLY 4031N 1.37 -0.22 3.74 -1.41 0.00 -0.87 -1.42 105.19 106.38 1mx9 n GLY 4031Ca 0.11 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 1mx9 n GLY 4031CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx9 s LYS 4032N -1.79 4.36 -0.05 1.61 1.02 -1.25 -1.04 119.74 122.61 1mx9 s LYS 4032Ca 0.00 0.75 0.05 0.00 0.02 0.00 0.00 55.97 56.79 1mx9 s LYS 4032Cb 0.00 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1mx9 s LYS 4032CO 0.00 0.25 -0.19 0.14 -0.92 0.00 0.00 175.35 174.63 1mx9 s VAL 4033N 0.21 2.62 -0.09 3.17 -7.23 0.23 0.02 120.40 119.32 1mx9 s VAL 4033Ca 0.32 -0.88 -0.02 0.00 -1.81 0.00 0.00 61.98 59.59 1mx9 s VAL 4033Cb -0.18 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1mx9 s VAL 4033CO 0.17 0.58 0.00 -0.22 -0.31 0.00 0.00 175.10 175.32 1mx9 s LEU 4034N -0.54 3.58 0.00 1.32 1.98 0.09 -0.72 118.68 124.39 1mx9 s LEU 4034Ca 0.07 0.13 0.00 0.00 -2.89 0.00 0.00 54.13 51.44 1mx9 s LEU 4034Cb -0.11 -1.82 0.00 0.00 0.66 0.00 0.00 46.19 44.91 1mx9 s LEU 4034CO 0.01 0.36 0.00 0.61 -1.89 0.00 0.00 176.35 175.44 1mx9 n GLY 4035N 2.27 5.35 3.26 7.98 0.00 -0.36 -0.57 105.19 123.12 1mx9 n GLY 4035Ca -0.18 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 1mx9 n GLY 4035CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx9 s LYS 4036N 1.92 0.81 -0.09 1.61 -2.85 -0.97 -4.35 119.74 115.82 1mx9 s LYS 4036Ca 0.00 -0.46 -0.10 0.00 -1.00 0.00 0.00 55.97 54.41 1mx9 s LYS 4036Cb 0.00 0.35 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 1mx9 s LYS 4036CO 0.00 -0.26 0.22 -0.06 0.10 0.00 0.00 175.35 175.35 1mx9 s PHE 4037N -2.45 3.61 -0.05 1.78 0.40 -1.26 -1.55 117.98 118.46 1mx9 s PHE 4037Ca -0.06 0.65 0.01 0.00 -0.60 0.00 0.00 56.93 56.93 1mx9 s PHE 4037Cb -0.01 -2.08 0.02 0.00 0.51 0.00 0.00 43.02 41.46 1mx9 s PHE 4037CO -0.03 0.65 -0.05 0.08 0.70 0.00 0.00 175.22 176.57 1mx9 s VAL 4038N -0.85 0.63 0.44 -0.44 1.01 -0.82 -4.98 120.40 115.38 1mx9 s VAL 4038Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1mx9 s VAL 4038Cb -0.13 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1mx9 s VAL 4038CO 0.06 0.25 0.75 -0.44 0.00 0.00 0.00 175.10 175.73 1mx9 s SER 4039N 0.99 6.36 -0.12 3.32 0.01 -1.26 -2.00 113.70 121.00 1mx9 s SER 4039Ca -0.10 0.96 -0.01 0.00 1.31 0.00 0.00 55.95 58.11 1mx9 s SER 4039Cb -0.14 -2.26 0.03 0.00 0.21 0.00 0.00 66.02 63.86 1mx9 s SER 4039CO -0.00 -0.48 -0.03 -0.22 0.41 0.00 0.00 173.24 172.92 1mx9 s LEU 4040N -4.34 1.07 -0.05 2.44 2.96 -1.26 -4.98 118.68 114.52 1mx9 s LEU 4040Ca 0.48 -0.36 -0.21 0.00 -0.22 0.00 0.00 54.13 53.82 1mx9 s LEU 4040Cb -0.10 -0.70 -0.10 0.00 0.50 0.00 0.00 46.19 45.79 1mx9 s LEU 4040CO 0.39 -0.18 0.58 -0.62 -1.32 0.00 0.00 176.35 175.21 1mx9 n GLU 4041N 5.01 0.00 -3.24 1.98 4.71 -1.26 -1.67 120.64 126.16 1mx9 n GLU 4041Ca -0.10 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.89 1mx9 n GLU 4041Cb 0.49 -0.75 0.06 0.00 -1.01 0.00 0.00 31.44 30.24 1mx9 n GLU 4041CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1mx9 n GLY 4042N 0.98 -0.19 2.99 0.62 0.00 -1.26 -5.03 105.19 103.30 1mx9 n GLY 4042Ca 0.11 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1mx9 n GLY 4042CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mx9 s PHE 4043N -3.26 -0.40 0.09 1.61 0.40 -0.67 -5.06 117.98 110.68 1mx9 s PHE 4043Ca 0.26 0.92 -0.27 0.00 -0.60 0.00 0.00 56.93 57.24 1mx9 s PHE 4043Cb -0.11 -0.06 -0.16 0.00 0.51 0.00 0.00 43.02 43.20 1mx9 s PHE 4043CO 0.56 -0.36 1.69 0.00 0.70 0.00 0.00 175.22 177.81 1mx9 h ALA 4044N 8.29 -0.39 -2.90 5.36 0.00 -1.96 -3.42 119.26 124.25 1mx9 h ALA 4044Ca -0.14 -0.08 -0.60 0.00 0.00 0.00 0.00 54.91 54.09 1mx9 h ALA 4044Cb 1.11 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.97 1mx9 h ALA 4044CO 0.14 -0.73 -0.23 -1.14 0.00 0.00 0.00 179.25 177.29 1mx9 s GLN 4045N -6.13 4.18 0.68 0.00 2.00 -1.26 -5.07 119.66 114.06 1mx9 s GLN 4045Ca -0.15 0.16 -0.11 0.00 -2.00 0.00 0.00 55.36 53.26 1mx9 s GLN 4045Cb 0.05 -3.53 0.00 0.00 0.80 0.00 0.00 33.01 30.34 1mx9 s GLN 4045CO 0.64 -0.01 1.06 -1.25 -0.50 0.00 0.00 175.29 175.24 1mx9 s PRO 4046N 1.21 3.05 -0.02 1.67 0.04 -1.26 -4.88 135.00 134.80 1mx9 s PRO 4046Ca 0.18 0.70 -0.05 0.00 0.04 0.00 0.00 61.00 61.87 1mx9 s PRO 4046Cb -0.14 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1mx9 s PRO 4046CO 0.07 -0.95 0.21 0.08 0.04 0.00 0.00 177.00 176.45 1mx9 s VAL 4047N -3.19 5.39 -0.37 -0.36 1.01 -0.85 -4.84 120.40 117.19 1mx9 s VAL 4047Ca 0.57 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 1mx9 s VAL 4047Cb -0.12 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1mx9 s VAL 4047CO 0.54 0.40 0.56 0.00 0.00 0.00 0.00 175.10 176.60 1mx9 s ALA 4048N -1.26 3.44 -0.15 5.51 0.00 0.29 -1.95 121.76 127.65 1mx9 s ALA 4048Ca 0.25 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 1mx9 s ALA 4048Cb -0.13 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1mx9 s ALA 4048CO 0.15 -1.38 0.01 0.42 0.00 0.00 0.00 175.76 174.96 1mx9 s ILE 4049N 2.54 4.35 -0.11 0.00 1.01 -0.60 -1.14 121.20 127.25 1mx9 s ILE 4049Ca 0.20 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1mx9 s ILE 4049Cb -0.15 -2.91 0.02 0.00 0.01 0.00 0.00 42.46 39.43 1mx9 s ILE 4049CO 0.15 0.51 -0.13 -0.36 0.00 0.00 0.00 174.94 175.11 1mx9 s PHE 4050N 0.03 1.81 0.02 3.97 0.40 -0.46 -2.28 117.98 121.46 1mx9 s PHE 4050Ca 0.03 -0.87 0.05 0.00 -0.60 0.00 0.00 56.93 55.54 1mx9 s PHE 4050Cb -0.13 -1.35 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1mx9 s PHE 4050CO 0.02 -0.49 -0.14 -0.51 0.70 0.00 0.00 175.22 174.80 1mx9 s LEU 4051N 1.21 2.82 -1.14 -0.37 1.43 -0.13 -0.68 118.68 121.83 1mx9 s LEU 4051Ca -0.03 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1mx9 s LEU 4051Cb -0.14 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1mx9 s LEU 4051CO -0.04 0.27 0.97 0.61 0.23 0.00 0.00 176.35 178.38 1mx9 n GLY 4052N 1.59 -0.33 3.69 -3.19 0.00 -1.09 -4.07 105.19 101.80 1mx9 n GLY 4052Ca -0.16 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1mx9 n GLY 4052CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx9 s ILE 4053N -3.31 5.01 0.26 -0.61 1.01 -0.66 -4.83 121.20 118.07 1mx9 s ILE 4053Ca 0.20 1.41 -0.30 0.00 0.00 0.00 0.00 60.65 61.97 1mx9 s ILE 4053Cb -0.09 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 1mx9 s ILE 4053CO 0.66 0.17 1.06 -2.16 0.00 0.00 0.00 174.94 174.67 1mx9 s PRO 4054N 1.33 4.69 0.00 2.79 0.04 -1.26 -1.68 135.00 140.91 1mx9 s PRO 4054Ca 0.35 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.19 1mx9 s PRO 4054Cb -0.17 -3.22 0.07 0.00 0.04 0.00 0.00 34.50 31.21 1mx9 s PRO 4054CO 0.15 0.27 0.76 1.97 0.04 0.00 0.00 177.00 180.20 1mx9 n PHE 4055N 1.42 0.01 -3.74 0.56 1.16 -1.09 -4.95 117.46 110.83 1mx9 n PHE 4055Ca -0.01 -0.02 -0.09 0.00 -1.87 0.00 0.00 57.45 55.47 1mx9 n PHE 4055Cb 0.46 -0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 1mx9 n PHE 4055CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mx9 s ALA 4056N -0.67 -1.29 0.33 1.98 0.00 -1.26 -4.47 121.76 116.39 1mx9 s ALA 4056Ca 0.09 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.68 1mx9 s ALA 4056Cb 0.07 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.96 1mx9 s ALA 4056CO 0.10 -0.95 1.11 0.21 0.00 0.00 0.00 175.76 176.23 1mx9 s LYS 4057N -3.87 4.41 0.20 0.00 2.20 0.49 -4.43 119.74 118.74 1mx9 s LYS 4057Ca 0.08 1.76 -0.32 0.00 -0.36 0.00 0.00 55.97 57.13 1mx9 s LYS 4057Cb -0.04 -2.94 -0.13 0.00 -1.51 0.00 0.00 37.83 33.21 1mx9 s LYS 4057CO 0.01 0.01 1.58 -2.30 -0.36 0.00 0.00 175.35 174.30 1mx9 n PRO 4058N 0.67 2.34 -1.56 4.03 -0.02 -1.26 -4.48 135.00 134.72 1mx9 n PRO 4058Ca 0.01 0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 1mx9 n PRO 4058Cb 0.46 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 1mx9 n PRO 4058CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1mx9 n PRO 4059N 3.11 3.64 -4.04 0.52 -0.04 -1.26 -4.86 135.00 132.07 1mx9 n PRO 4059Ca 0.15 -2.55 -0.33 0.00 -0.04 0.00 0.00 63.50 60.73 1mx9 n PRO 4059Cb 0.32 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.82 1mx9 n PRO 4059CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx9 s LEU 4060N 0.28 4.01 0.00 1.53 1.43 -1.26 -3.85 118.68 120.83 1mx9 s LEU 4060Ca 0.61 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1mx9 s LEU 4060Cb 0.17 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1mx9 s LEU 4060CO -0.07 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1mx9 n GLY 4061N 1.01 2.56 0.27 -3.19 0.00 -1.26 -1.94 105.19 102.64 1mx9 n GLY 4061Ca -0.12 0.29 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1mx9 n GLY 4061CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mx9 h PRO 4062N 0.00 0.00 -0.00 1.61 0.13 -1.92 -2.35 132.00 129.46 1mx9 h PRO 4062Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1mx9 h PRO 4062Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1mx9 h PRO 4062CO 0.00 0.09 -0.00 1.28 -0.23 0.00 0.00 178.00 179.14 1mx9 n LEU 4063N -3.38 0.06 -4.76 1.56 4.77 -0.82 -4.82 117.00 109.62 1mx9 n LEU 4063Ca -0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 1mx9 n LEU 4063Cb 0.26 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1mx9 n LEU 4063CO 0.28 0.01 0.70 -0.60 -1.33 0.00 0.00 177.39 176.46 1mx9 s ARG 4064N -2.05 4.67 -1.38 3.23 3.52 -0.89 -3.42 118.95 122.63 1mx9 s ARG 4064Ca 0.46 1.56 -0.07 0.00 -0.13 0.00 0.00 55.73 57.55 1mx9 s ARG 4064Cb 0.22 -3.09 0.01 0.00 -1.56 0.00 0.00 34.95 30.53 1mx9 s ARG 4064CO 0.38 0.31 0.97 1.19 -0.81 0.00 0.00 175.30 177.33 1mx9 n PHE 4065N 1.06 -2.51 -3.90 5.12 3.72 -1.26 -5.00 117.46 114.69 1mx9 n PHE 4065Ca -0.00 0.83 -0.09 0.00 -0.05 0.00 0.00 57.45 58.14 1mx9 n PHE 4065Cb 0.47 -4.75 -0.08 0.00 -0.94 0.00 0.00 39.48 34.17 1mx9 n PHE 4065CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1mx9 s THR 4066N -3.26 0.14 0.61 4.37 -4.23 -1.22 -4.85 115.64 107.20 1mx9 s THR 4066Ca 0.48 -1.16 -0.18 0.00 -1.18 0.00 0.00 61.69 59.65 1mx9 s THR 4066Cb -0.21 -1.14 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 1mx9 s THR 4066CO 0.59 -0.64 0.94 -2.65 -0.54 0.00 0.00 174.62 172.33 1mx9 n PRO 4067N 0.35 0.83 -2.17 3.99 -0.02 -1.26 -4.91 135.00 131.81 1mx9 n PRO 4067Ca -0.17 0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 1mx9 n PRO 4067Cb 0.60 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1mx9 n PRO 4067CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mx9 s PRO 4068N -2.78 4.35 0.43 0.52 0.04 -1.26 -5.03 135.00 131.27 1mx9 s PRO 4068Ca 0.76 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.92 1mx9 s PRO 4068Cb -0.41 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 1mx9 s PRO 4068CO 0.47 -0.32 0.64 -0.65 0.04 0.00 0.00 177.00 177.18 1mx9 s GLN 4069N 0.05 3.11 0.61 4.56 -1.52 -1.26 -4.94 119.66 120.27 1mx9 s GLN 4069Ca 0.59 -0.52 -0.14 0.00 -1.95 0.00 0.00 55.36 53.33 1mx9 s GLN 4069Cb -0.38 -2.59 -0.03 0.00 -0.22 0.00 0.00 33.01 29.79 1mx9 s GLN 4069CO 0.38 -0.20 1.05 -2.14 -0.25 0.00 0.00 175.29 174.13 1mx9 s PRO 4070N -4.50 3.28 0.43 2.91 0.02 -1.26 -0.38 135.00 135.51 1mx9 s PRO 4070Ca 0.47 1.10 -0.23 0.00 0.02 0.00 0.00 61.00 62.36 1mx9 s PRO 4070Cb -0.10 -2.03 -0.08 0.00 0.02 0.00 0.00 34.50 32.31 1mx9 s PRO 4070CO 0.37 -0.83 1.09 0.00 -0.33 0.00 0.00 177.00 177.30 1mx9 s ALA 4071N -2.66 3.03 -0.04 -1.55 0.00 -1.26 -3.32 121.76 115.96 1mx9 s ALA 4071Ca 0.61 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 1mx9 s ALA 4071Cb -0.15 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1mx9 s ALA 4071CO 0.42 -0.38 1.06 -1.21 0.00 0.00 0.00 175.76 175.65 1mx9 s GLU 4072N -2.62 4.45 0.88 0.00 0.41 -1.26 -4.91 118.70 115.65 1mx9 s GLU 4072Ca 0.61 1.50 -0.12 0.00 -0.41 0.00 0.00 54.97 56.55 1mx9 s GLU 4072Cb -0.24 -3.50 0.08 0.00 -1.78 0.00 0.00 34.13 28.70 1mx9 s GLU 4072CO 0.30 -0.25 0.90 -0.35 -0.49 0.00 0.00 175.26 175.36 1mx9 n PRO 4073N 4.57 -0.16 -4.24 0.39 -0.04 -1.26 -5.02 135.00 129.24 1mx9 n PRO 4073Ca 0.08 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.40 1mx9 n PRO 4073Cb 0.49 -2.20 -0.11 0.00 -0.04 0.00 0.00 33.50 31.64 1mx9 n PRO 4073CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1mx9 s TRP 4074N -2.35 1.34 0.18 0.54 -2.14 -0.51 -5.06 118.94 110.94 1mx9 s TRP 4074Ca 0.66 -0.62 -0.03 0.00 2.66 0.00 0.00 56.10 58.77 1mx9 s TRP 4074Cb -0.25 -0.69 -0.05 0.00 -3.10 0.00 0.00 33.47 29.37 1mx9 s TRP 4074CO 0.59 0.13 0.40 -1.12 -2.66 0.00 0.00 176.95 174.28 1mx9 s SER 4075N -2.69 6.45 0.54 -2.66 0.01 -1.26 -4.60 113.70 109.49 1mx9 s SER 4075Ca 0.11 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1mx9 s SER 4075Cb -0.02 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1mx9 s SER 4075CO 0.02 -0.01 0.00 0.49 0.41 0.00 0.00 173.24 174.16 1mx9 n PHE 4076N -0.28 -1.22 -3.40 2.43 3.01 -1.26 -4.74 117.46 112.01 1mx9 n PHE 4076Ca -0.03 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.02 1mx9 n PHE 4076Cb 0.53 0.15 -0.09 0.00 -0.01 0.00 0.00 39.48 40.05 1mx9 n PHE 4076CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1mx9 s VAL 4077N 0.00 5.17 -0.09 -4.37 1.01 -1.26 -3.92 120.40 116.93 1mx9 s VAL 4077Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1mx9 s VAL 4077Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1mx9 s VAL 4077CO 0.00 -0.06 1.14 -0.75 0.00 0.00 0.00 175.10 175.44 1mx9 s LYS 4078N 2.04 4.36 -0.27 2.72 2.20 0.10 -4.86 119.74 126.02 1mx9 s LYS 4078Ca 0.12 1.57 -0.29 0.00 -0.36 0.00 0.00 55.97 57.02 1mx9 s LYS 4078Cb -0.16 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.59 1mx9 s LYS 4078CO 0.11 -0.44 1.04 1.21 -0.36 0.00 0.00 175.35 176.91 1mx9 s ASN 4079N 1.39 7.00 -0.71 1.43 2.47 -1.26 -0.73 114.94 124.53 1mx9 s ASN 4079Ca 0.53 1.19 0.03 0.00 0.42 0.00 0.00 52.86 55.03 1mx9 s ASN 4079Cb -0.22 -2.53 0.33 0.00 -1.45 0.00 0.00 41.25 37.38 1mx9 s ASN 4079CO 0.19 -0.76 1.20 0.00 -3.72 0.00 0.00 177.10 174.01 1mx9 n ALA 4080N 6.55 5.08 -1.68 1.71 0.00 0.27 -4.69 120.51 127.76 1mx9 n ALA 4080Ca 0.11 -4.68 0.06 0.00 0.00 0.00 0.00 53.44 48.93 1mx9 n ALA 4080Cb 0.47 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 18.87 1mx9 n ALA 4080CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mx9 n THR 4081N -0.19 1.18 -4.16 0.00 -2.24 -1.26 -0.96 114.28 106.66 1mx9 n THR 4081Ca 0.36 -1.74 -0.21 0.00 -2.27 0.00 0.00 64.05 60.18 1mx9 n THR 4081Cb 0.35 0.16 -0.16 0.00 -2.10 0.00 0.00 70.33 68.58 1mx9 n THR 4081CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1mx9 s SER 4082N -2.36 1.16 0.30 3.42 0.01 -1.26 -4.95 113.70 110.01 1mx9 s SER 4082Ca 0.26 -0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 1mx9 s SER 4082Cb 0.25 -0.51 -0.12 0.00 0.21 0.00 0.00 66.02 65.85 1mx9 s SER 4082CO -0.04 -0.06 1.42 -1.22 0.41 0.00 0.00 173.24 173.76 1mx9 n TYR 4083N 4.17 2.45 -1.65 2.43 4.01 -1.26 -4.03 117.16 123.27 1mx9 n TYR 4083Ca -0.22 0.43 -0.29 0.00 -0.16 0.00 0.00 57.90 57.65 1mx9 n TYR 4083Cb 0.51 -2.49 0.15 0.00 -0.31 0.00 0.00 39.34 37.20 1mx9 n TYR 4083CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1mx9 s PRO 4084N -1.05 0.99 0.98 -0.72 0.04 -1.26 -4.91 135.00 129.06 1mx9 s PRO 4084Ca 0.62 0.07 -0.14 0.00 0.04 0.00 0.00 61.00 61.60 1mx9 s PRO 4084Cb -0.57 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.30 1mx9 s PRO 4084CO 0.55 -2.25 1.14 -2.14 0.04 0.00 0.00 177.00 174.33 1mx9 s PRO 4085N -5.48 0.60 0.09 0.56 0.02 -1.26 -4.81 135.00 124.71 1mx9 s PRO 4085Ca 0.66 0.23 0.05 0.00 0.02 0.00 0.00 61.00 61.96 1mx9 s PRO 4085Cb -0.11 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 1mx9 s PRO 4085CO 0.53 -2.55 -0.03 0.00 -0.33 0.00 0.00 177.00 174.61 1mx9 s MET 4086N -5.28 2.46 0.61 5.54 0.23 0.81 -4.81 119.30 118.86 1mx9 s MET 4086Ca 0.66 -0.87 -0.18 0.00 -1.03 0.00 0.00 55.69 54.27 1mx9 s MET 4086Cb -0.14 -2.49 -0.04 0.00 -1.53 0.00 0.00 34.83 30.63 1mx9 s MET 4086CO 0.55 0.54 1.03 0.00 -2.03 0.00 0.00 175.02 175.10 1mx9 n THR 4088N -1.75 0.33 -3.79 0.00 -1.04 -1.03 -4.59 114.28 102.41 1mx9 n THR 4088Ca 0.14 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.05 62.03 1mx9 n THR 4088Cb 0.47 -0.97 -0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1mx9 n THR 4088CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mx9 s GLN 4089N 0.22 1.25 -0.21 -2.82 -2.07 -1.26 -4.71 119.66 110.06 1mx9 s GLN 4089Ca 0.79 -0.73 -0.29 0.00 -1.82 0.00 0.00 55.36 53.31 1mx9 s GLN 4089Cb -0.86 0.40 -0.06 0.00 -1.09 0.00 0.00 33.01 31.39 1mx9 s GLN 4089CO 0.47 -0.58 2.20 -3.47 -1.32 0.00 0.00 175.29 172.59 1mx9 n ASP 4090N -0.70 3.19 -0.31 12.60 -0.08 -1.26 -4.81 116.55 125.19 1mx9 n ASP 4090Ca -0.05 0.29 0.06 0.00 -1.51 0.00 0.00 54.79 53.58 1mx9 n ASP 4090Cb 0.60 -1.52 0.27 0.00 2.34 0.00 0.00 41.12 42.82 1mx9 n ASP 4090CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1mx9 h PRO 4091N 14.32 0.92 0.25 -0.67 0.13 -1.98 0.37 132.00 145.34 1mx9 h PRO 4091Ca -0.40 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1mx9 h PRO 4091Cb 1.25 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1mx9 h PRO 4091CO 0.97 0.61 -0.12 0.87 -0.23 0.00 0.00 178.00 180.09 1mx9 h LYS 4092N 0.94 -0.33 -0.75 0.86 1.57 -2.00 -2.34 116.57 114.52 1mx9 h LYS 4092Ca 0.42 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.19 1mx9 h LYS 4092Cb 0.37 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1mx9 h LYS 4092CO -0.18 0.02 0.33 0.00 -0.57 0.00 0.00 179.45 179.05 1mx9 h ALA 4093N -0.19 1.17 0.37 3.86 0.00 -1.93 -1.38 119.26 121.16 1mx9 h ALA 4093Ca -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1mx9 h ALA 4093Cb 0.50 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1mx9 h ALA 4093CO 0.06 0.62 -0.24 0.78 0.00 0.00 0.00 179.25 180.47 1mx9 h GLY 4094N 1.12 -0.61 0.56 0.00 0.00 -0.96 0.44 103.07 103.63 1mx9 h GLY 4094Ca 0.26 0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.94 1mx9 h GLY 4094CO -0.03 -0.23 0.55 -1.61 0.00 0.00 0.00 176.54 175.22 1mx9 h GLN 4095N -0.58 0.91 0.10 4.80 4.15 -1.21 0.94 115.11 124.21 1mx9 h GLN 4095Ca -0.04 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1mx9 h GLN 4095Cb 0.49 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1mx9 h GLN 4095CO 0.03 0.60 -0.05 1.25 -1.93 0.00 0.00 178.83 178.74 1mx9 h LEU 4096N 0.93 -0.11 -0.27 -2.39 5.85 -0.93 -1.38 115.31 117.01 1mx9 h LEU 4096Ca 0.43 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1mx9 h LEU 4096Cb 0.35 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1mx9 h LEU 4096CO -0.23 0.08 0.17 0.25 -0.34 0.00 0.00 178.44 178.36 1mx9 h LEU 4097N -0.29 0.32 -0.63 2.25 5.85 -0.38 -1.81 115.31 120.61 1mx9 h LEU 4097Ca -0.01 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.78 1mx9 h LEU 4097Cb 0.25 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 1mx9 h LEU 4097CO 0.02 0.25 0.21 -1.28 -0.34 0.00 0.00 178.44 177.30 1mx9 h SER 4098N 0.35 0.16 0.10 1.25 0.87 -0.73 -0.87 113.55 114.69 1mx9 h SER 4098Ca 0.10 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1mx9 h SER 4098Cb -0.01 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 1mx9 h SER 4098CO -0.02 0.09 -0.21 -0.33 -0.53 0.00 0.00 176.83 175.83 1mx9 h GLU 4099N 0.36 -0.37 0.00 2.24 5.08 -0.84 -0.41 114.58 120.64 1mx9 h GLU 4099Ca 0.33 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1mx9 h GLU 4099Cb 0.46 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1mx9 h GLU 4099CO -0.36 -0.25 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.32 1mx9 h LEU 4100N -0.39 0.00 -0.60 1.33 3.38 -0.59 -3.19 115.31 115.25 1mx9 h LEU 4100Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1mx9 h LEU 4100Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1mx9 h LEU 4100CO -0.12 0.01 -0.15 0.49 0.09 0.00 0.00 178.44 178.76 1mx9 n PHE 4101N -3.14 0.00 -2.41 1.13 3.01 -0.40 -4.93 117.46 110.72 1mx9 n PHE 4101Ca -0.01 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.10 1mx9 n PHE 4101Cb 0.18 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.63 1mx9 n PHE 4101CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1mx9 s THR 4102N -1.11 3.47 -0.42 4.37 -1.32 -0.19 -4.90 115.64 115.54 1mx9 s THR 4102Ca 0.05 0.95 0.14 0.00 -1.21 0.00 0.00 61.69 61.63 1mx9 s THR 4102Cb 0.05 -3.40 0.43 0.00 -1.51 0.00 0.00 72.50 68.07 1mx9 s THR 4102CO 0.18 -0.16 1.34 -0.46 -2.21 0.00 0.00 174.62 173.30 1mx9 n ASN 4103N -0.97 3.45 -5.02 8.08 6.94 -1.25 -4.99 115.26 121.49 1mx9 n ASN 4103Ca 0.10 -2.66 -0.19 0.00 -0.02 0.00 0.00 54.58 51.81 1mx9 n ASN 4103Cb 0.51 -0.42 0.04 0.00 -2.36 0.00 0.00 39.78 37.55 1mx9 n ASN 4103CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1mx9 s ARG 4104N -2.17 2.51 -0.06 -3.83 0.52 -1.26 -4.39 118.95 110.26 1mx9 s ARG 4104Ca 0.34 -1.50 -0.19 0.00 -0.52 0.00 0.00 55.73 53.86 1mx9 s ARG 4104Cb 0.26 -2.67 -0.14 0.00 0.52 0.00 0.00 34.95 32.92 1mx9 s ARG 4104CO 0.11 -0.62 0.75 0.87 0.02 0.00 0.00 175.30 176.43 1mx9 h LYS 4105N 0.38 -0.22 -6.02 3.54 1.57 -1.95 -3.45 116.57 110.42 1mx9 h LYS 4105Ca -0.34 0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 57.78 1mx9 h LYS 4105Cb 1.29 0.05 -0.20 0.00 0.08 0.00 0.00 32.23 33.45 1mx9 h LYS 4105CO 0.43 0.17 -0.70 -1.21 -0.57 0.00 0.00 179.45 177.57 1mx9 s GLU 4106N -3.17 2.86 0.29 3.15 2.02 -1.26 -5.06 118.70 117.53 1mx9 s GLU 4106Ca -0.11 -0.56 -0.29 0.00 0.02 0.00 0.00 54.97 54.03 1mx9 s GLU 4106Cb 0.00 -2.61 -0.10 0.00 0.10 0.00 0.00 34.13 31.52 1mx9 s GLU 4106CO 0.41 0.59 1.16 1.21 0.02 0.00 0.00 175.26 178.66 1mx9 s ASN 4107N -0.62 7.12 -0.36 -0.19 3.04 -1.26 -4.97 114.94 117.69 1mx9 s ASN 4107Ca 0.09 2.38 -0.28 0.00 0.04 0.00 0.00 52.86 55.10 1mx9 s ASN 4107Cb -0.12 -2.63 0.02 0.00 -1.54 0.00 0.00 41.25 36.98 1mx9 s ASN 4107CO 0.02 -0.27 1.02 -0.63 -3.04 0.00 0.00 177.10 174.20 1mx9 s ILE 4108N -1.06 4.49 -0.48 -5.21 -1.09 -1.26 -4.98 121.20 111.61 1mx9 s ILE 4108Ca 0.46 1.43 -0.28 0.00 -2.23 0.00 0.00 60.65 60.04 1mx9 s ILE 4108Cb -0.34 -4.41 -0.01 0.00 -1.58 0.00 0.00 42.46 36.11 1mx9 s ILE 4108CO 0.44 -0.58 1.75 -2.16 -1.23 0.00 0.00 174.94 173.15 1mx9 s PRO 4109N 3.70 3.05 0.53 2.79 0.04 -1.26 -4.97 135.00 138.88 1mx9 s PRO 4109Ca 0.43 0.92 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 1mx9 s PRO 4109Cb -0.11 -4.25 0.01 0.00 0.04 0.00 0.00 34.50 30.18 1mx9 s PRO 4109CO 0.19 -2.22 0.80 -0.51 0.04 0.00 0.00 177.00 175.31 1mx9 s LEU 4110N 7.61 3.40 0.12 -3.56 1.43 -1.26 -5.11 118.68 121.30 1mx9 s LEU 4110Ca 0.70 0.51 0.09 0.00 -1.03 0.00 0.00 54.13 54.39 1mx9 s LEU 4110Cb -0.16 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1mx9 s LEU 4110CO 0.27 -0.92 -0.17 -0.54 0.23 0.00 0.00 176.35 175.21 1mx9 s LYS 4111N -4.81 1.81 0.22 1.70 1.02 -1.26 -4.98 119.74 113.45 1mx9 s LYS 4111Ca 0.52 -1.17 -0.14 0.00 0.02 0.00 0.00 55.97 55.20 1mx9 s LYS 4111Cb -0.10 -2.13 -0.08 0.00 -0.52 0.00 0.00 37.83 35.00 1mx9 s LYS 4111CO 0.42 0.48 0.62 -0.51 -0.92 0.00 0.00 175.35 175.44 1mx9 s LEU 4112N -2.15 4.24 -0.19 3.17 1.43 -1.26 -0.13 118.68 123.78 1mx9 s LEU 4112Ca 0.18 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.13 1mx9 s LEU 4112Cb -0.11 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.64 1mx9 s LEU 4112CO 0.10 -0.02 1.01 -0.55 0.23 0.00 0.00 176.35 177.13 1mx9 s SER 4113N -1.99 -0.38 0.34 2.29 0.15 -0.47 -4.85 113.70 108.79 1mx9 s SER 4113Ca 0.45 0.51 0.18 0.00 0.70 0.00 0.00 55.95 57.78 1mx9 s SER 4113Cb -0.13 0.43 0.45 0.00 -1.71 0.00 0.00 66.02 65.06 1mx9 s SER 4113CO 0.20 -0.29 1.62 -0.33 1.20 0.00 0.00 173.24 175.64 1mx9 h GLU 4114N 2.95 0.00 -5.29 5.44 5.08 -1.94 -2.74 114.58 118.07 1mx9 h GLU 4114Ca -0.21 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.49 1mx9 h GLU 4114Cb 1.17 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.26 1mx9 h GLU 4114CO 0.26 0.42 0.99 0.34 -1.00 0.00 0.00 179.01 180.02 1mx9 s ASP 4115N -6.42 6.59 0.00 1.42 2.15 -1.26 -4.52 116.67 114.64 1mx9 s ASP 4115Ca 0.02 -1.89 0.00 0.00 0.43 0.00 0.00 52.55 51.11 1mx9 s ASP 4115Cb 0.09 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1mx9 s ASP 4115CO 0.71 -1.18 0.40 0.00 -0.17 0.00 0.00 175.17 174.93 1mx9 n LEU 4117N -0.05 4.78 -4.44 0.00 4.77 -1.26 -4.66 117.00 116.14 1mx9 n LEU 4117Ca 0.00 -3.73 -0.22 0.00 -0.03 0.00 0.00 56.01 52.03 1mx9 n LEU 4117Cb 0.38 -1.70 -0.09 0.00 -2.33 0.00 0.00 43.42 39.68 1mx9 n LEU 4117CO 0.00 -0.16 -0.23 -0.31 -1.33 0.00 0.00 177.39 175.36 1mx9 s TYR 4118N 5.58 1.79 0.05 -1.77 1.51 -1.26 -2.68 117.35 120.57 1mx9 s TYR 4118Ca 0.56 -1.16 -0.06 0.00 -1.01 0.00 0.00 57.07 55.40 1mx9 s TYR 4118Cb 0.05 -1.13 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 1mx9 s TYR 4118CO 0.07 -0.21 0.11 -0.48 -1.11 0.00 0.00 175.55 173.93 1mx9 s LEU 4119N -3.49 1.75 0.07 -1.29 0.05 -0.68 -1.99 118.68 113.10 1mx9 s LEU 4119Ca 0.32 -0.61 0.09 0.00 0.05 0.00 0.00 54.13 53.98 1mx9 s LEU 4119Cb 0.06 0.70 -0.03 0.00 -2.05 0.00 0.00 46.19 44.86 1mx9 s LEU 4119CO 0.15 -0.58 -0.24 0.20 -0.55 0.00 0.00 176.35 175.32 1mx9 s ASN 4120N -2.42 3.38 -0.08 1.48 0.01 -0.04 -1.65 114.94 115.61 1mx9 s ASN 4120Ca -0.01 -0.59 0.02 0.00 -0.71 0.00 0.00 52.86 51.56 1mx9 s ASN 4120Cb 0.02 -0.35 0.02 0.00 0.41 0.00 0.00 41.25 41.34 1mx9 s ASN 4120CO -0.07 0.23 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.01 1mx9 s ILE 4121N -0.91 1.17 -0.25 0.60 1.01 0.14 -1.08 121.20 121.88 1mx9 s ILE 4121Ca 0.13 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 1mx9 s ILE 4121Cb -0.10 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.30 1mx9 s ILE 4121CO 0.04 0.37 -0.06 -0.31 0.00 0.00 0.00 174.94 174.98 1mx9 s TYR 4122N 0.97 3.07 -0.08 3.97 1.51 0.41 -1.36 117.35 125.83 1mx9 s TYR 4122Ca -0.09 -1.54 0.01 0.00 -1.01 0.00 0.00 57.07 54.44 1mx9 s TYR 4122Cb -0.15 -2.06 0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1mx9 s TYR 4122CO -0.00 -0.73 -0.08 -0.08 -1.11 0.00 0.00 175.55 173.55 1mx9 s THR 4123N 1.33 0.96 -1.08 -0.71 -1.32 -0.30 -0.79 115.64 113.74 1mx9 s THR 4123Ca 0.00 -0.31 0.28 0.00 -1.21 0.00 0.00 61.69 60.45 1mx9 s THR 4123Cb -0.17 -0.95 0.19 0.00 -1.51 0.00 0.00 72.50 70.07 1mx9 s THR 4123CO -0.04 0.34 1.76 -0.81 -2.21 0.00 0.00 174.62 173.65 1mx9 n PRO 4124N 4.42 0.08 -0.64 7.08 -0.04 -1.26 -0.55 135.00 144.09 1mx9 n PRO 4124Ca -0.18 -0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 62.95 1mx9 n PRO 4124Cb 0.51 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.65 1mx9 n PRO 4124CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mx9 n ALA 4125N -1.44 -2.36 -3.37 0.55 0.00 -1.26 -4.88 120.51 107.75 1mx9 n ALA 4125Ca 0.07 -0.87 -0.46 0.00 0.00 0.00 0.00 53.44 52.19 1mx9 n ALA 4125Cb 0.33 -1.94 -0.02 0.00 0.00 0.00 0.00 19.45 17.81 1mx9 n ALA 4125CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mx9 s ASP 4126N -2.30 6.77 0.18 0.00 2.15 -1.26 -4.84 116.67 117.37 1mx9 s ASP 4126Ca 0.63 -2.95 0.07 0.00 0.43 0.00 0.00 52.55 50.73 1mx9 s ASP 4126Cb -0.22 -2.18 0.39 0.00 -0.30 0.00 0.00 42.92 40.61 1mx9 s ASP 4126CO 0.63 -0.48 1.06 0.18 -0.17 0.00 0.00 175.17 176.40 1mx9 n LEU 4127N 3.58 0.18 0.12 -1.34 4.77 -1.26 -0.34 117.00 122.71 1mx9 n LEU 4127Ca 0.16 0.43 -0.20 0.00 -0.03 0.00 0.00 56.01 56.37 1mx9 n LEU 4127Cb 0.44 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.99 1mx9 n LEU 4127CO 0.36 -0.50 -0.18 0.71 -1.33 0.00 0.00 177.39 176.46 1mx9 h THR 4128N 0.00 1.35 -4.57 -5.08 1.35 -2.01 -3.46 112.91 100.49 1mx9 h THR 4128Ca 0.00 -2.86 -0.18 0.00 -0.55 0.00 0.00 66.41 62.82 1mx9 h THR 4128Cb 0.54 2.97 0.02 0.00 -1.73 0.00 0.00 68.15 69.95 1mx9 h THR 4128CO 0.00 0.85 0.01 0.29 -0.25 0.00 0.00 175.52 176.42 1mx9 n LYS 4129N -3.61 0.62 -3.82 4.72 5.02 0.53 -5.10 118.16 116.53 1mx9 n LYS 4129Ca -0.14 -1.10 -0.32 0.00 -2.02 0.00 0.00 58.31 54.74 1mx9 n LYS 4129Cb 1.07 -0.16 -0.04 0.00 -0.02 0.00 0.00 35.03 35.87 1mx9 n LYS 4129CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1mx9 s LYS 4130N -3.18 3.52 -0.19 1.97 2.20 -1.26 -4.84 119.74 117.96 1mx9 s LYS 4130Ca 0.24 -0.27 -0.08 0.00 -0.36 0.00 0.00 55.97 55.49 1mx9 s LYS 4130Cb -0.02 -2.98 0.08 0.00 -1.51 0.00 0.00 37.83 33.40 1mx9 s LYS 4130CO 0.15 0.57 0.42 -0.80 -0.36 0.00 0.00 175.35 175.33 1mx9 s ASN 4131N -2.37 -0.38 -0.71 1.43 0.01 -1.26 -4.91 114.94 106.75 1mx9 s ASN 4131Ca 0.36 0.96 0.03 0.00 -0.71 0.00 0.00 52.86 53.50 1mx9 s ASN 4131Cb -0.13 1.10 0.33 0.00 0.41 0.00 0.00 41.25 42.96 1mx9 s ASN 4131CO 0.25 -0.22 1.20 0.54 -1.51 0.00 0.00 177.10 177.37 1mx9 n ARG 4132N 4.88 3.88 -1.84 -0.60 5.12 -1.25 -2.85 116.66 123.99 1mx9 n ARG 4132Ca -0.15 -4.81 -0.33 0.00 -1.93 0.00 0.00 57.85 50.63 1mx9 n ARG 4132Cb 0.52 -2.31 0.04 0.00 -1.16 0.00 0.00 32.46 29.55 1mx9 n ARG 4132CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1mx9 s LEU 4133N -3.70 3.43 0.34 0.55 1.43 -0.44 -4.31 118.68 115.98 1mx9 s LEU 4133Ca 0.46 1.96 -0.27 0.00 -1.03 0.00 0.00 54.13 55.24 1mx9 s LEU 4133Cb 0.25 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.83 1mx9 s LEU 4133CO -0.13 -1.50 1.18 -2.16 0.23 0.00 0.00 176.35 173.96 1mx9 s PRO 4134N -4.07 4.33 -0.11 1.29 0.04 -1.26 -0.81 135.00 134.41 1mx9 s PRO 4134Ca 0.66 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 63.60 1mx9 s PRO 4134Cb -0.19 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 1mx9 s PRO 4134CO 0.40 -0.10 -0.06 0.08 0.04 0.00 0.00 177.00 177.36 1mx9 s VAL 4135N -1.27 3.71 -0.13 -0.36 1.01 0.12 -0.98 120.40 122.49 1mx9 s VAL 4135Ca 0.51 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1mx9 s VAL 4135Cb -0.33 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1mx9 s VAL 4135CO 0.43 0.55 -0.16 -0.04 0.00 0.00 0.00 175.10 175.87 1mx9 s MET 4136N -0.25 2.45 -0.24 2.72 -1.94 -0.46 0.11 119.30 121.70 1mx9 s MET 4136Ca 0.04 -0.63 -0.06 0.00 -1.71 0.00 0.00 55.69 53.32 1mx9 s MET 4136Cb -0.13 -2.11 -0.02 0.00 2.01 0.00 0.00 34.83 34.58 1mx9 s MET 4136CO 0.03 -0.12 0.04 0.08 -0.01 0.00 0.00 175.02 175.03 1mx9 s VAL 4137N 1.15 4.07 -0.24 -6.03 1.01 0.27 -2.31 120.40 118.32 1mx9 s VAL 4137Ca -0.02 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 1mx9 s VAL 4137Cb -0.14 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1mx9 s VAL 4137CO -0.06 0.37 0.54 0.86 0.00 0.00 0.00 175.10 176.82 1mx9 s TRP 4138N 1.48 3.30 -0.32 5.22 -0.11 0.16 -1.22 118.94 127.47 1mx9 s TRP 4138Ca 0.06 0.72 -0.09 0.00 1.22 0.00 0.00 56.10 58.01 1mx9 s TRP 4138Cb -0.15 -2.73 0.01 0.00 -1.50 0.00 0.00 33.47 29.10 1mx9 s TRP 4138CO 0.02 -0.23 0.14 0.42 -4.62 0.00 0.00 176.95 172.67 1mx9 s ILE 4139N 2.14 4.37 0.93 5.86 1.01 -0.35 -2.57 121.20 132.58 1mx9 s ILE 4139Ca 0.23 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1mx9 s ILE 4139Cb -0.16 -3.28 0.15 0.00 0.01 0.00 0.00 42.46 39.18 1mx9 s ILE 4139CO 0.09 0.01 1.09 -1.38 0.00 0.00 0.00 174.94 174.75 1mx9 s HIS 4140N 1.56 2.22 0.20 3.97 -3.43 -1.26 -3.61 115.29 114.94 1mx9 s HIS 4140Ca 0.03 1.19 0.02 0.00 -0.80 0.00 0.00 55.06 55.50 1mx9 s HIS 4140Cb -0.18 -3.19 0.02 0.00 -1.43 0.00 0.00 32.58 27.81 1mx9 s HIS 4140CO 0.05 -2.59 0.20 0.41 -2.00 0.00 0.00 174.74 170.81 1mx9 n GLY 4141N -1.04 2.55 0.00 -1.38 0.00 -1.21 -3.52 105.19 100.59 1mx9 n GLY 4141Ca 0.06 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1mx9 n GLY 4141CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx9 n GLY 4142N 2.57 0.38 2.41 -0.02 0.00 -1.26 -4.47 105.19 104.80 1mx9 n GLY 4142Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1mx9 n GLY 4142CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx9 n GLY 4143N 0.00 -0.38 3.04 -0.02 0.00 -1.26 -1.07 105.19 105.49 1mx9 n GLY 4143Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mx9 n GLY 4143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mx9 n LEU 4144N -2.81 0.78 -0.08 0.99 4.77 -1.26 -4.65 117.00 114.74 1mx9 n LEU 4144Ca -0.17 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 1mx9 n LEU 4144Cb 0.62 -1.78 -0.09 0.00 -2.33 0.00 0.00 43.42 39.84 1mx9 n LEU 4144CO 0.20 -0.66 -1.04 0.23 -1.33 0.00 0.00 177.39 174.80 1mx9 n MET 4145N 0.10 0.91 -4.34 3.23 2.81 -0.32 0.13 117.12 119.63 1mx9 n MET 4145Ca 0.00 0.06 -0.20 0.00 -1.81 0.00 0.00 57.70 55.75 1mx9 n MET 4145Cb 0.27 -1.36 -0.08 0.00 -0.71 0.00 0.00 33.22 31.33 1mx9 n MET 4145CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1mx9 s VAL 4146N -2.35 0.17 0.00 2.03 -7.23 -0.23 -4.24 120.40 108.55 1mx9 s VAL 4146Ca -0.18 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 1mx9 s VAL 4146Cb 0.05 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1mx9 s VAL 4146CO 0.47 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.87 1mx9 n GLY 4147N -0.66 3.21 3.17 2.32 0.00 -1.26 -4.09 105.19 107.89 1mx9 n GLY 4147Ca 0.03 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 1mx9 n GLY 4147CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 4148N -2.32 0.02 0.01 4.61 0.00 -1.26 -4.68 121.76 118.13 1mx9 s ALA 4148Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1mx9 s ALA 4148Cb 0.00 0.44 -0.32 0.00 0.00 0.00 0.00 23.12 23.23 1mx9 s ALA 4148CO 0.00 -0.47 0.89 0.00 0.00 0.00 0.00 175.76 176.18 1mx9 h ALA 4149N 2.87 0.02 0.00 0.00 0.00 -1.93 -3.29 119.26 116.92 1mx9 h ALA 4149Ca -0.34 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.58 1mx9 h ALA 4149Cb 1.18 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1mx9 h ALA 4149CO 0.59 0.89 0.00 0.43 0.00 0.00 0.00 179.25 181.16 1mx9 n SER 4150N -3.62 0.00 0.16 0.00 7.64 -1.26 -1.57 113.62 114.97 1mx9 n SER 4150Ca -0.18 0.28 0.02 0.00 1.01 0.00 0.00 58.87 60.00 1mx9 n SER 4150Cb 1.08 -0.36 0.26 0.00 -1.01 0.00 0.00 64.21 64.18 1mx9 n SER 4150CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1mx9 h THR 4151N 0.00 1.14 -3.29 0.44 2.02 -1.96 -3.42 112.91 107.84 1mx9 h THR 4151Ca 0.00 -1.80 -0.63 0.00 0.77 0.00 0.00 66.41 64.75 1mx9 h THR 4151Cb 0.09 2.03 -0.18 0.00 -1.74 0.00 0.00 68.15 68.35 1mx9 h THR 4151CO 0.00 0.48 -0.61 -0.31 0.37 0.00 0.00 175.52 175.44 1mx9 s TYR 4152N -3.61 3.15 -0.22 3.16 1.51 -0.61 -3.96 117.35 116.78 1mx9 s TYR 4152Ca -0.01 -0.07 -0.08 0.00 -1.01 0.00 0.00 57.07 55.91 1mx9 s TYR 4152Cb 0.12 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 1mx9 s TYR 4152CO 0.72 0.11 0.07 0.34 -1.11 0.00 0.00 175.55 175.69 1mx9 s ASP 4153N 0.22 5.44 0.00 2.29 3.68 -1.26 -4.98 116.67 122.06 1mx9 s ASP 4153Ca 0.01 -0.05 0.18 0.00 2.13 0.00 0.00 52.55 54.83 1mx9 s ASP 4153Cb -0.13 -1.96 0.59 0.00 -1.45 0.00 0.00 42.92 39.98 1mx9 s ASP 4153CO 0.02 0.07 1.45 0.61 0.13 0.00 0.00 175.17 177.45 1mx9 n GLY 4154N 4.21 0.56 0.21 2.66 0.00 -1.26 -4.52 105.19 107.05 1mx9 n GLY 4154Ca -0.16 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 1mx9 n GLY 4154CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mx9 h LEU 4155N 2.39 -0.54 0.65 0.99 5.85 -1.94 -2.08 115.31 120.63 1mx9 h LEU 4155Ca 0.00 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1mx9 h LEU 4155Cb 0.53 0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.84 1mx9 h LEU 4155CO 0.00 -0.21 -0.31 0.00 -0.34 0.00 0.00 178.44 177.58 1mx9 h ALA 4156N 0.99 -0.94 -0.55 1.25 0.00 -1.83 -1.85 119.26 116.32 1mx9 h ALA 4156Ca 0.13 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1mx9 h ALA 4156Cb 0.36 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 1mx9 h ALA 4156CO -0.33 -0.88 -0.48 1.25 0.00 0.00 0.00 179.25 178.81 1mx9 h LEU 4157N -1.13 -1.63 0.20 0.00 5.85 -1.78 1.10 115.31 117.93 1mx9 h LEU 4157Ca -0.09 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1mx9 h LEU 4157Cb 0.67 0.72 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1mx9 h LEU 4157CO 0.15 -0.35 -0.44 0.00 -0.34 0.00 0.00 178.44 177.46 1mx9 h ALA 4158N 0.43 -0.98 -0.39 1.25 0.00 -1.46 0.17 119.26 118.29 1mx9 h ALA 4158Ca 0.15 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1mx9 h ALA 4158Cb 0.57 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1mx9 h ALA 4158CO -0.67 -1.06 0.06 0.00 0.00 0.00 0.00 179.25 177.58 1mx9 h ALA 4159N -0.82 0.41 -0.52 0.00 0.00 -0.49 0.24 119.26 118.09 1mx9 h ALA 4159Ca -0.02 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1mx9 h ALA 4159Cb 0.66 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1mx9 h ALA 4159CO -0.18 -0.34 0.04 0.45 0.00 0.00 0.00 179.25 179.22 1mx9 h HIS 4160N 0.19 0.91 -0.15 0.00 -0.00 0.16 -3.26 115.15 112.99 1mx9 h HIS 4160Ca 0.19 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1mx9 h HIS 4160Cb 0.23 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1mx9 h HIS 4160CO -0.21 0.81 0.00 0.39 -0.00 0.00 0.00 177.93 178.92 1mx9 n GLU 4161N -4.22 2.68 -3.67 2.45 -0.58 0.57 -5.01 120.64 112.86 1mx9 n GLU 4161Ca 0.03 -2.05 -0.25 0.00 -0.42 0.00 0.00 57.16 54.48 1mx9 n GLU 4161Cb 0.29 -1.29 0.01 0.00 -0.57 0.00 0.00 31.44 29.88 1mx9 n GLU 4161CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mx9 n ASN 4162N -0.32 -5.44 -3.97 1.62 5.15 0.84 -5.01 115.26 108.13 1mx9 n ASN 4162Ca 0.09 -0.86 -0.09 0.00 -0.60 0.00 0.00 54.58 53.13 1mx9 n ASN 4162Cb 0.46 -2.79 -0.10 0.00 -0.53 0.00 0.00 39.78 36.83 1mx9 n ASN 4162CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1mx9 s VAL 4163N -3.19 0.15 -0.30 3.44 -7.23 -1.11 -4.59 120.40 107.58 1mx9 s VAL 4163Ca 0.19 -1.25 -0.19 0.00 -1.81 0.00 0.00 61.98 58.92 1mx9 s VAL 4163Cb -0.08 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.84 1mx9 s VAL 4163CO 0.87 -0.69 0.54 -0.69 -0.31 0.00 0.00 175.10 174.82 1mx9 s VAL 4164N -2.89 5.02 -0.21 1.32 1.01 -0.15 -4.23 120.40 120.27 1mx9 s VAL 4164Ca -0.03 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.55 1mx9 s VAL 4164Cb 0.01 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1mx9 s VAL 4164CO -0.06 -0.07 0.19 -0.69 0.00 0.00 0.00 175.10 174.47 1mx9 s VAL 4165N 2.42 5.36 -0.10 2.92 1.01 0.03 -1.36 120.40 130.68 1mx9 s VAL 4165Ca 0.21 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1mx9 s VAL 4165Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1mx9 s VAL 4165CO 0.11 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 1mx9 s VAL 4166N 0.70 1.10 -0.18 2.92 1.01 -0.98 0.15 120.40 125.13 1mx9 s VAL 4166Ca 0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1mx9 s VAL 4166Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1mx9 s VAL 4166CO 0.02 0.37 0.03 0.42 0.00 0.00 0.00 175.10 175.94 1mx9 s THR 4167N 1.37 4.45 0.27 3.92 -4.23 -0.24 -0.66 115.64 120.52 1mx9 s THR 4167Ca -0.01 -0.15 0.10 0.00 -1.18 0.00 0.00 61.69 60.45 1mx9 s THR 4167Cb -0.14 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.66 1mx9 s THR 4167CO -0.05 0.46 -0.06 0.27 -0.54 0.00 0.00 174.62 174.70 1mx9 s ILE 4168N 0.51 3.14 0.32 2.99 -4.36 -1.06 -0.86 121.20 121.87 1mx9 s ILE 4168Ca 0.01 -2.07 0.10 0.00 -0.26 0.00 0.00 60.65 58.44 1mx9 s ILE 4168Cb -0.13 -2.68 -0.06 0.00 1.25 0.00 0.00 42.46 40.84 1mx9 s ILE 4168CO 0.01 -0.38 -0.12 -1.10 0.24 0.00 0.00 174.94 173.60 1mx9 s GLN 4169N -3.63 1.82 -0.15 0.37 -0.21 -0.84 -4.44 119.66 112.58 1mx9 s GLN 4169Ca 0.31 -1.82 -0.28 0.00 0.02 0.00 0.00 55.36 53.58 1mx9 s GLN 4169Cb -0.06 -1.78 0.07 0.00 1.00 0.00 0.00 33.01 32.24 1mx9 s GLN 4169CO 0.18 0.22 0.72 1.52 -2.12 0.00 0.00 175.29 175.82 1mx9 s TYR 4170N -2.55 -0.69 -0.21 0.91 1.13 -1.26 -4.65 117.35 110.03 1mx9 s TYR 4170Ca 0.32 1.42 -0.38 0.00 -1.41 0.00 0.00 57.07 57.02 1mx9 s TYR 4170Cb -0.01 0.35 -0.14 0.00 -1.10 0.00 0.00 41.96 41.06 1mx9 s TYR 4170CO 0.16 -0.49 1.81 0.54 -2.51 0.00 0.00 175.55 175.06 1mx9 n ARG 4171N 1.65 1.55 -3.04 -3.49 1.74 -1.26 -4.89 116.66 108.92 1mx9 n ARG 4171Ca -0.16 0.57 -0.18 0.00 -0.77 0.00 0.00 57.85 57.30 1mx9 n ARG 4171Cb 0.56 -2.32 0.03 0.00 -1.02 0.00 0.00 32.46 29.71 1mx9 n ARG 4171CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mx9 s LEU 4172N 3.87 3.45 0.00 0.55 1.43 -1.26 -3.60 118.68 123.12 1mx9 s LEU 4172Ca 0.97 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1mx9 s LEU 4172Cb -0.92 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.03 1mx9 s LEU 4172CO 0.60 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.82 1mx9 n GLY 4173N -1.98 1.49 0.47 -3.19 0.00 0.12 -1.49 105.19 100.62 1mx9 n GLY 4173Ca 0.11 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 1mx9 n GLY 4173CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mx9 h ILE 4174N 0.00 0.00 -1.10 -0.61 2.04 -1.93 0.12 117.51 116.04 1mx9 h ILE 4174Ca 0.00 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.22 1mx9 h ILE 4174Cb 0.00 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.94 1mx9 h ILE 4174CO 0.00 0.00 0.66 -0.50 0.00 0.00 0.00 178.15 178.31 1mx9 h TRP 4175N -0.61 0.77 -0.01 1.37 6.55 -1.88 -1.53 115.95 120.62 1mx9 h TRP 4175Ca 0.03 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1mx9 h TRP 4175Cb 0.70 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 28.80 1mx9 h TRP 4175CO -0.57 -0.21 -0.47 0.41 -1.05 0.00 0.00 178.44 176.55 1mx9 n GLY 4176N -1.37 -0.19 0.00 1.49 0.00 -0.55 -4.44 105.19 100.13 1mx9 n GLY 4176Ca 0.34 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1mx9 n GLY 4176CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mx9 n PHE 4177N -0.66 0.00 -1.85 1.61 3.72 0.34 0.56 117.46 121.18 1mx9 n PHE 4177Ca 0.05 -0.04 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1mx9 n PHE 4177Cb 0.28 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 1mx9 n PHE 4177CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1mx9 s PHE 4178N -0.07 2.98 0.00 1.38 2.19 -0.63 -4.52 117.98 119.32 1mx9 s PHE 4178Ca 0.00 0.54 0.00 0.00 0.33 0.00 0.00 56.93 57.81 1mx9 s PHE 4178Cb 0.00 -4.01 -0.00 0.00 -1.31 0.00 0.00 43.02 37.69 1mx9 s PHE 4178CO 0.00 -3.74 -0.01 0.45 1.83 0.00 0.00 175.22 173.74 1mx9 s SER 4179N 1.09 0.16 0.00 6.13 0.15 -1.26 -4.12 113.70 115.84 1mx9 s SER 4179Ca 0.71 -0.10 0.12 0.00 0.70 0.00 0.00 55.95 57.38 1mx9 s SER 4179Cb -0.46 0.00 0.17 0.00 -1.71 0.00 0.00 66.02 64.02 1mx9 s SER 4179CO 0.33 -0.03 1.00 0.35 1.20 0.00 0.00 173.24 176.08 1mx9 n THR 4180N 2.82 0.29 0.00 6.45 -2.24 -1.00 -4.43 114.28 116.16 1mx9 n THR 4180Ca -0.14 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1mx9 n THR 4180Cb 0.59 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1mx9 n THR 4180CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx9 n GLY 4181N 0.66 2.58 0.00 3.38 0.00 -1.26 -4.44 105.19 106.11 1mx9 n GLY 4181Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1mx9 n GLY 4181CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx9 n ASP 4182N 0.00 1.35 0.10 1.61 3.85 -1.26 -5.02 116.55 117.19 1mx9 n ASP 4182Ca 0.00 -0.79 0.11 0.00 -0.71 0.00 0.00 54.79 53.40 1mx9 n ASP 4182Cb 0.00 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.23 1mx9 n ASP 4182CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1mx9 n GLU 4183N 0.00 0.16 0.00 0.11 0.00 -1.26 -2.23 120.64 117.42 1mx9 n GLU 4183Ca 0.00 0.38 0.11 0.00 0.00 0.00 0.00 57.16 57.65 1mx9 n GLU 4183Cb 0.00 -1.80 0.60 0.00 0.00 0.00 0.00 31.44 30.24 1mx9 n GLU 4183CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1mx9 n HIS 4184N -2.10 0.00 0.00 -1.84 8.25 -1.26 -4.34 115.22 113.93 1mx9 n HIS 4184Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1mx9 n HIS 4184Cb 0.23 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1mx9 n HIS 4184CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1mx9 n SER 4185N -1.20 0.00 -0.01 0.41 2.88 -1.13 -4.87 113.62 109.69 1mx9 n SER 4185Ca 0.13 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.63 1mx9 n SER 4185Cb 0.15 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.59 1mx9 n SER 4185CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1mx9 h ARG 4186N 0.00 -0.12 0.00 -1.46 3.08 -1.64 -2.66 114.38 111.58 1mx9 h ARG 4186Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1mx9 h ARG 4186Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1mx9 h ARG 4186CO 0.00 -0.08 0.00 0.41 -1.07 0.00 0.00 179.97 179.23 1mx9 n GLY 4187N -1.10 0.77 2.36 0.04 0.00 -1.26 -4.33 105.19 101.67 1mx9 n GLY 4187Ca -0.01 -2.14 -0.16 0.00 0.00 0.00 0.00 46.02 43.72 1mx9 n GLY 4187CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mx9 n ASN 4188N 1.42 -4.75 -0.20 1.61 3.02 -1.26 -4.90 115.26 110.20 1mx9 n ASN 4188Ca 0.00 0.15 -0.01 0.00 -0.03 0.00 0.00 54.58 54.69 1mx9 n ASN 4188Cb 0.00 -3.77 0.10 0.00 -0.61 0.00 0.00 39.78 35.49 1mx9 n ASN 4188CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1mx9 h TRP 4189N 0.00 0.46 -0.36 3.10 4.06 -1.48 -0.60 115.95 121.14 1mx9 h TRP 4189Ca -0.35 0.03 0.06 0.00 2.06 0.00 0.00 58.89 60.69 1mx9 h TRP 4189Cb 1.16 -0.12 -0.06 0.00 -1.00 0.00 0.00 29.16 29.15 1mx9 h TRP 4189CO 0.42 0.16 0.02 0.78 -3.56 0.00 0.00 178.44 176.26 1mx9 h GLY 4190N 0.47 0.37 0.98 1.49 0.00 -0.00 -2.07 103.07 104.31 1mx9 h GLY 4190Ca 0.29 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1mx9 h GLY 4190CO -0.25 -0.07 0.27 0.45 0.00 0.00 0.00 176.54 176.93 1mx9 h HIS 4191N 0.12 0.73 -0.85 5.60 3.86 -1.59 -2.20 115.15 120.82 1mx9 h HIS 4191Ca 0.18 -0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.47 1mx9 h HIS 4191Cb 0.24 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.41 1mx9 h HIS 4191CO -0.24 0.55 0.55 -0.07 0.86 0.00 0.00 177.93 179.59 1mx9 h LEU 4192N 0.69 0.69 -0.49 2.43 3.38 -0.64 0.28 115.31 121.64 1mx9 h LEU 4192Ca 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1mx9 h LEU 4192Cb 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1mx9 h LEU 4192CO -0.03 0.39 0.27 0.44 0.09 0.00 0.00 178.44 179.60 1mx9 h ASP 4193N 0.75 0.62 -0.79 -0.43 3.32 -0.79 0.25 116.42 119.35 1mx9 h ASP 4193Ca 0.41 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.43 1mx9 h ASP 4193Cb 0.54 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1mx9 h ASP 4193CO -0.17 0.53 0.48 1.56 -1.72 0.00 0.00 179.24 179.91 1mx9 h GLN 4194N 0.66 0.85 -0.29 3.56 4.20 -0.55 0.20 115.11 123.73 1mx9 h GLN 4194Ca 0.17 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 1mx9 h GLN 4194Cb 0.05 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1mx9 h GLN 4194CO -0.03 0.56 -0.10 0.28 -0.67 0.00 0.00 178.83 178.88 1mx9 h VAL 4195N 0.87 1.29 -0.95 -0.54 2.07 -0.72 -0.81 116.25 117.46 1mx9 h VAL 4195Ca 0.35 -1.15 0.11 0.00 0.82 0.00 0.00 66.70 66.83 1mx9 h VAL 4195Cb 0.18 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.30 1mx9 h VAL 4195CO -0.18 0.37 0.61 0.00 0.02 0.00 0.00 177.57 178.39 1mx9 h ALA 4196N 0.77 1.60 -0.35 1.67 0.00 0.69 0.73 119.26 124.38 1mx9 h ALA 4196Ca 0.07 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1mx9 h ALA 4196Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1mx9 h ALA 4196CO 0.03 0.18 -0.42 0.00 0.00 0.00 0.00 179.25 179.05 1mx9 h ALA 4197N 1.55 0.59 -0.73 0.00 0.00 -0.40 -1.43 119.26 118.84 1mx9 h ALA 4197Ca 0.46 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1mx9 h ALA 4197Cb 0.48 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1mx9 h ALA 4197CO -0.22 0.68 0.48 -0.07 0.00 0.00 0.00 179.25 180.12 1mx9 h LEU 4198N 0.71 0.83 -0.11 0.00 3.38 0.51 -1.12 115.31 119.51 1mx9 h LEU 4198Ca 0.05 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1mx9 h LEU 4198Cb 1.01 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.56 1mx9 h LEU 4198CO 0.10 0.60 -0.63 -0.09 0.09 0.00 0.00 178.44 178.50 1mx9 h ARG 4199N 0.98 0.62 -0.84 1.13 2.43 -0.73 -2.80 114.38 115.17 1mx9 h ARG 4199Ca 0.27 -0.52 0.14 0.00 -0.81 0.00 0.00 59.98 59.06 1mx9 h ARG 4199Cb -0.10 0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 29.48 1mx9 h ARG 4199CO -0.06 1.14 0.43 2.35 -1.51 0.00 0.00 179.97 182.33 1mx9 h TRP 4200N 0.27 0.76 -0.53 2.20 7.01 -0.68 0.99 115.95 125.98 1mx9 h TRP 4200Ca -0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1mx9 h TRP 4200Cb 1.28 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 28.10 1mx9 h TRP 4200CO 0.11 0.19 0.27 0.28 -2.79 0.00 0.00 178.44 176.50 1mx9 h VAL 4201N 0.63 1.17 -0.31 2.65 2.07 -1.11 -1.96 116.25 119.40 1mx9 h VAL 4201Ca 0.45 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1mx9 h VAL 4201Cb 0.62 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1mx9 h VAL 4201CO -0.35 0.20 0.10 1.56 0.02 0.00 0.00 177.57 179.09 1mx9 h GLN 4202N 0.74 0.43 -0.01 1.57 1.08 -0.53 -0.82 115.11 117.57 1mx9 h GLN 4202Ca 0.19 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1mx9 h GLN 4202Cb 0.06 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1mx9 h GLN 4202CO -0.03 0.38 -0.64 -0.25 -0.95 0.00 0.00 178.83 177.34 1mx9 n ASP 4203N -4.39 1.58 0.00 1.46 8.00 -1.01 -4.70 116.55 117.50 1mx9 n ASP 4203Ca 0.01 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1mx9 n ASP 4203Cb 0.15 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 1mx9 n ASP 4203CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mx9 n ASN 4204N -0.58 3.15 -0.34 -2.24 3.02 -0.77 -4.75 115.26 112.75 1mx9 n ASN 4204Ca 0.07 0.00 0.35 0.00 -0.03 0.00 0.00 54.58 54.96 1mx9 n ASN 4204Cb 0.40 0.00 0.73 0.00 -0.61 0.00 0.00 39.78 40.29 1mx9 n ASN 4204CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1mx9 h ILE 4205N 0.00 0.40 -0.79 2.41 6.09 -1.34 0.40 117.51 124.68 1mx9 h ILE 4205Ca 0.00 -0.02 0.08 0.00 -1.37 0.00 0.00 64.86 63.56 1mx9 h ILE 4205Cb 0.91 0.35 -0.05 0.00 0.47 0.00 0.00 36.82 38.50 1mx9 h ILE 4205CO 0.00 0.01 0.52 0.00 -3.07 0.00 0.00 178.15 175.61 1mx9 h ALA 4206N 1.42 1.70 -0.02 0.18 0.00 -1.77 0.22 119.26 121.00 1mx9 h ALA 4206Ca 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1mx9 h ALA 4206Cb 2.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1mx9 h ALA 4206CO -0.05 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 1mx9 n SER 4207N -4.50 0.18 -0.08 0.00 3.41 0.14 -2.96 113.62 109.81 1mx9 n SER 4207Ca 0.13 -2.00 0.01 0.00 -0.26 0.00 0.00 58.87 56.74 1mx9 n SER 4207Cb 0.28 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1mx9 n SER 4207CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mx9 n PHE 4208N -0.41 0.05 -0.28 7.33 3.01 0.73 -4.67 117.46 123.23 1mx9 n PHE 4208Ca 0.01 -0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.02 1mx9 n PHE 4208Cb 0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1mx9 n PHE 4208CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 4209N -0.32 0.86 3.97 1.37 0.00 -1.16 -4.75 105.19 105.16 1mx9 n GLY 4209Ca 0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1mx9 n GLY 4209CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mx9 s GLY 4210N -2.03 2.03 -0.31 -0.02 0.00 -0.89 -1.33 107.32 104.77 1mx9 s GLY 4210Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.96 1mx9 s GLY 4210CO 0.00 -1.77 0.08 0.21 0.00 0.00 0.00 173.10 171.62 1mx9 s ASN 4211N -4.44 4.20 0.12 1.64 2.47 0.01 -4.14 114.94 114.78 1mx9 s ASN 4211Ca 0.50 -1.74 0.05 0.00 0.42 0.00 0.00 52.86 52.09 1mx9 s ASN 4211Cb -0.04 -1.06 0.29 0.00 -1.45 0.00 0.00 41.25 38.98 1mx9 s ASN 4211CO 0.31 -0.40 1.02 -0.81 -3.72 0.00 0.00 177.10 173.50 1mx9 n PRO 4212N 4.70 0.04 -0.11 0.43 -0.04 -1.26 -0.12 135.00 138.63 1mx9 n PRO 4212Ca -0.01 0.42 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 1mx9 n PRO 4212Cb 0.42 -1.82 0.32 0.00 -0.04 0.00 0.00 33.50 32.38 1mx9 n PRO 4212CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mx9 n GLY 4213N -1.31 0.52 2.51 0.55 0.00 -1.26 -4.45 105.19 101.75 1mx9 n GLY 4213Ca -0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 1mx9 n GLY 4213CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mx9 n SER 4214N 0.49 -1.51 -4.19 1.61 2.88 0.83 -4.92 113.62 108.81 1mx9 n SER 4214Ca 0.16 -2.59 -0.33 0.00 -1.33 0.00 0.00 58.87 54.78 1mx9 n SER 4214Cb 0.36 0.27 -0.16 0.00 -0.75 0.00 0.00 64.21 63.93 1mx9 n SER 4214CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1mx9 s VAL 4215N 0.29 2.32 -0.21 2.46 1.01 -1.26 -0.71 120.40 124.31 1mx9 s VAL 4215Ca 0.32 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1mx9 s VAL 4215Cb 0.04 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1mx9 s VAL 4215CO -0.15 0.53 0.04 -0.89 0.00 0.00 0.00 175.10 174.63 1mx9 s THR 4216N 1.06 4.35 -0.15 3.92 2.01 0.31 -0.16 115.64 126.99 1mx9 s THR 4216Ca -0.01 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1mx9 s THR 4216Cb -0.14 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1mx9 s THR 4216CO -0.06 0.41 0.11 0.27 -0.69 0.00 0.00 174.62 174.66 1mx9 s ILE 4217N 0.98 5.22 0.01 1.82 -4.36 -1.00 0.94 121.20 124.81 1mx9 s ILE 4217Ca 0.03 0.11 -0.16 0.00 -0.26 0.00 0.00 60.65 60.37 1mx9 s ILE 4217Cb -0.14 -3.31 0.03 0.00 1.25 0.00 0.00 42.46 40.29 1mx9 s ILE 4217CO 0.02 0.55 0.35 0.72 0.24 0.00 0.00 174.94 176.83 1mx9 s PHE 4218N -0.45 -0.21 0.18 1.37 -0.71 -0.35 -1.19 117.98 116.62 1mx9 s PHE 4218Ca 0.11 0.25 -0.24 0.00 -1.04 0.00 0.00 56.93 56.01 1mx9 s PHE 4218Cb -0.12 0.14 0.06 0.00 -1.21 0.00 0.00 43.02 41.89 1mx9 s PHE 4218CO 0.02 -0.47 0.94 0.20 -1.34 0.00 0.00 175.22 174.57 1mx9 s GLY 4219N -1.62 -0.15 0.01 1.99 0.00 -1.10 -1.22 107.32 105.23 1mx9 s GLY 4219Ca -0.10 -0.01 0.08 0.00 0.00 0.00 0.00 44.72 44.69 1mx9 s GLY 4219CO 0.02 0.25 -0.24 1.85 0.00 0.00 0.00 173.10 174.98 1mx9 s GLU 4220N -3.17 2.03 5.77 2.90 -6.30 -1.24 -1.59 118.70 117.11 1mx9 s GLU 4220Ca 0.13 -0.98 0.00 0.00 -2.50 0.00 0.00 54.97 51.63 1mx9 s GLU 4220Cb -0.02 -2.08 0.00 0.00 0.00 0.00 0.00 34.13 32.03 1mx9 s GLU 4220CO 0.03 0.55 0.00 0.45 0.02 0.00 0.00 175.26 176.31 1mx9 n SER 4221N 2.05 0.00 0.18 -1.70 2.88 0.30 0.19 113.62 117.52 1mx9 n SER 4221Ca -0.16 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.55 1mx9 n SER 4221Cb 0.52 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.79 1mx9 n SER 4221CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mx9 h ALA 4222N -0.76 1.86 -0.06 -1.46 0.00 -1.86 0.30 119.26 117.28 1mx9 h ALA 4222Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1mx9 h ALA 4222Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mx9 h ALA 4222CO 0.00 -0.37 -0.10 0.78 0.00 0.00 0.00 179.25 179.57 1mx9 h GLY 4223N 0.00 0.19 1.00 0.00 0.00 -0.30 0.61 103.07 104.57 1mx9 h GLY 4223Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1mx9 h GLY 4223CO -0.00 0.19 0.30 -1.33 0.00 0.00 0.00 176.54 175.70 1mx9 h GLY 4224N -0.31 0.67 0.28 4.60 0.00 -0.66 -0.21 103.07 107.43 1mx9 h GLY 4224Ca 0.01 -0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.17 1mx9 h GLY 4224CO 0.02 0.25 0.05 -2.09 0.00 0.00 0.00 176.54 174.77 1mx9 h GLU 4225N 0.64 0.16 -0.75 4.80 4.22 -0.45 0.36 114.58 123.55 1mx9 h GLU 4225Ca 0.17 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.63 1mx9 h GLU 4225Cb -0.06 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1mx9 h GLU 4225CO -0.04 0.11 0.48 0.77 -2.18 0.00 0.00 179.01 178.15 1mx9 h SER 4226N 0.17 0.79 -0.11 1.04 0.02 -0.02 0.91 113.55 116.35 1mx9 h SER 4226Ca 0.24 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1mx9 h SER 4226Cb 0.35 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1mx9 h SER 4226CO -0.36 0.55 0.06 0.58 -1.14 0.00 0.00 176.83 176.51 1mx9 h VAL 4227N 0.93 1.08 -0.79 2.27 2.07 0.59 0.21 116.25 122.61 1mx9 h VAL 4227Ca 0.30 -0.22 0.12 0.00 0.82 0.00 0.00 66.70 67.72 1mx9 h VAL 4227Cb 0.01 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1mx9 h VAL 4227CO -0.11 0.07 0.52 -1.28 0.02 0.00 0.00 177.57 176.79 1mx9 h SER 4228N 0.09 0.56 -0.02 0.57 0.87 0.25 -0.20 113.55 115.67 1mx9 h SER 4228Ca 0.04 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1mx9 h SER 4228Cb 0.06 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1mx9 h SER 4228CO -0.01 0.31 -0.07 0.58 -0.53 0.00 0.00 176.83 177.11 1mx9 h VAL 4229N 0.61 1.48 -0.85 2.23 2.07 0.16 -3.12 116.25 118.83 1mx9 h VAL 4229Ca 0.38 -1.53 0.10 0.00 0.82 0.00 0.00 66.70 66.47 1mx9 h VAL 4229Cb 0.62 2.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 1mx9 h VAL 4229CO -0.14 0.41 0.55 -0.07 0.02 0.00 0.00 177.57 178.34 1mx9 h LEU 4230N -0.50 0.72 -2.22 2.57 3.38 0.02 0.18 115.31 119.45 1mx9 h LEU 4230Ca -0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1mx9 h LEU 4230Cb 0.71 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1mx9 h LEU 4230CO 0.02 0.42 0.18 0.58 0.09 0.00 0.00 178.44 179.72 1mx9 h VAL 4231N 0.79 0.53 -0.01 1.22 2.07 -1.00 -1.11 116.25 118.74 1mx9 h VAL 4231Ca 0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.92 1mx9 h VAL 4231Cb 0.47 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1mx9 h VAL 4231CO -0.17 0.00 -0.58 0.18 0.02 0.00 0.00 177.57 177.02 1mx9 n LEU 4232N -3.90 1.33 -4.81 2.57 4.77 0.49 -4.96 117.00 112.48 1mx9 n LEU 4232Ca 0.01 -0.64 -0.38 0.00 -0.03 0.00 0.00 56.01 54.97 1mx9 n LEU 4232Cb 0.30 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1mx9 n LEU 4232CO 0.29 0.27 0.29 -0.55 -1.33 0.00 0.00 177.39 176.36 1mx9 s SER 4233N -2.34 7.07 0.15 -1.43 0.15 -0.42 -4.96 113.70 111.93 1mx9 s SER 4233Ca 0.11 1.29 -0.09 0.00 0.70 0.00 0.00 55.95 57.95 1mx9 s SER 4233Cb 0.14 -2.37 -0.01 0.00 -1.71 0.00 0.00 66.02 62.07 1mx9 s SER 4233CO 0.57 0.25 1.47 -0.65 1.20 0.00 0.00 173.24 176.08 1mx9 h PRO 4234N 4.39 0.85 -0.81 5.44 0.11 -1.86 -3.19 132.00 136.92 1mx9 h PRO 4234Ca -0.49 -0.48 0.15 0.00 0.11 0.00 0.00 66.00 65.29 1mx9 h PRO 4234Cb 1.21 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 1mx9 h PRO 4234CO 0.64 1.12 0.54 -0.07 -0.21 0.00 0.00 178.00 180.02 1mx9 h LEU 4235N 0.68 0.47 -0.11 2.35 3.38 -1.85 -0.77 115.31 119.46 1mx9 h LEU 4235Ca 0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1mx9 h LEU 4235Cb 1.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1mx9 h LEU 4235CO 0.10 0.23 -0.29 0.00 0.09 0.00 0.00 178.44 178.58 1mx9 n ALA 4236N -2.50 3.08 -1.52 1.53 0.00 -1.21 -4.94 120.51 114.96 1mx9 n ALA 4236Ca 0.16 -0.29 -0.58 0.00 0.00 0.00 0.00 53.44 52.73 1mx9 n ALA 4236Cb 0.54 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 1mx9 n ALA 4236CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mx9 n LYS 4237N -1.29 0.18 -1.99 0.00 5.02 -0.30 -0.83 118.16 118.96 1mx9 n LYS 4237Ca 0.08 0.07 -0.18 0.00 -2.02 0.00 0.00 58.31 56.26 1mx9 n LYS 4237Cb 0.33 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.71 1mx9 n LYS 4237CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1mx9 n ASN 4238N 1.73 -5.27 -0.00 4.39 3.02 -1.26 -4.86 115.26 113.01 1mx9 n ASN 4238Ca 0.20 0.19 0.07 0.00 -0.03 0.00 0.00 54.58 55.01 1mx9 n ASN 4238Cb 0.09 -4.36 -0.09 0.00 -0.61 0.00 0.00 39.78 34.82 1mx9 n ASN 4238CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1mx9 n LEU 4239N -2.39 0.39 -3.86 3.41 4.77 -0.01 -5.00 117.00 114.31 1mx9 n LEU 4239Ca -0.20 -0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 55.37 1mx9 n LEU 4239Cb 0.64 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1mx9 n LEU 4239CO 0.26 0.10 -0.12 0.72 -1.33 0.00 0.00 177.39 177.02 1mx9 s PHE 4240N -2.56 0.09 -0.20 -1.77 -0.71 -1.26 -4.87 117.98 106.69 1mx9 s PHE 4240Ca 0.01 -0.35 0.08 0.00 -1.04 0.00 0.00 56.93 55.63 1mx9 s PHE 4240Cb 0.10 -0.05 -0.10 0.00 -1.21 0.00 0.00 43.02 41.75 1mx9 s PHE 4240CO 0.57 -0.43 0.26 0.72 -1.34 0.00 0.00 175.22 175.00 1mx9 n HIS 4241N 0.61 0.00 -3.74 3.49 8.25 0.78 -4.94 115.22 119.67 1mx9 n HIS 4241Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 1mx9 n HIS 4241Cb 0.59 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.56 1mx9 n HIS 4241CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1mx9 s ARG 4242N -2.13 1.03 -0.06 -0.41 0.52 -1.20 -4.20 118.95 112.51 1mx9 s ARG 4242Ca 0.00 -0.84 -0.20 0.00 -0.52 0.00 0.00 55.73 54.17 1mx9 s ARG 4242Cb 0.06 0.43 0.04 0.00 0.52 0.00 0.00 34.95 36.00 1mx9 s ARG 4242CO 0.33 -0.39 0.46 0.00 0.02 0.00 0.00 175.30 175.72 1mx9 s ALA 4243N -3.84 -1.18 -0.05 2.13 0.00 -0.77 -2.39 121.76 115.66 1mx9 s ALA 4243Ca 0.05 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 1mx9 s ALA 4243Cb 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1mx9 s ALA 4243CO -0.10 -0.29 0.03 0.42 0.00 0.00 0.00 175.76 175.82 1mx9 s ILE 4244N -0.95 0.14 -0.19 0.00 1.01 -0.33 0.03 121.20 120.90 1mx9 s ILE 4244Ca -0.10 0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 1mx9 s ILE 4244Cb -0.03 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1mx9 s ILE 4244CO 0.05 0.21 0.07 -0.44 0.00 0.00 0.00 174.94 174.83 1mx9 s SER 4245N 1.89 5.63 -0.29 3.58 0.01 0.73 -2.72 113.70 122.53 1mx9 s SER 4245Ca 0.02 0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.33 1mx9 s SER 4245Cb -0.12 -1.97 0.05 0.00 0.21 0.00 0.00 66.02 64.19 1mx9 s SER 4245CO -0.04 0.14 -0.03 -1.61 0.41 0.00 0.00 173.24 172.12 1mx9 s GLU 4246N 0.56 2.38 -1.43 12.44 2.02 -0.62 -1.20 118.70 132.85 1mx9 s GLU 4246Ca 0.04 -1.29 -0.09 0.00 0.02 0.00 0.00 54.97 53.65 1mx9 s GLU 4246Cb -0.13 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 31.01 1mx9 s GLU 4246CO 0.01 -0.61 1.02 0.43 0.02 0.00 0.00 175.26 176.13 1mx9 n SER 4247N 4.58 -6.04 -3.64 -0.19 7.64 0.16 -0.54 113.62 115.58 1mx9 n SER 4247Ca -0.13 -0.52 -0.04 0.00 1.01 0.00 0.00 58.87 59.19 1mx9 n SER 4247Cb 0.43 -4.79 -0.07 0.00 -1.01 0.00 0.00 64.21 58.77 1mx9 n SER 4247CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1mx9 s GLY 4248N -3.17 0.18 0.14 0.23 0.00 -1.26 -3.74 107.32 99.68 1mx9 s GLY 4248Ca 0.54 3.25 -0.10 0.00 0.00 0.00 0.00 44.72 48.41 1mx9 s GLY 4248CO 0.67 2.23 0.29 -1.34 0.00 0.00 0.00 173.10 174.94 1mx9 s VAL 4249N 0.60 0.09 -1.32 1.40 -7.23 -1.26 -3.41 120.40 109.27 1mx9 s VAL 4249Ca -0.01 -1.16 0.06 0.00 -1.81 0.00 0.00 61.98 59.06 1mx9 s VAL 4249Cb -0.04 -1.57 0.09 0.00 0.56 0.00 0.00 36.38 35.42 1mx9 s VAL 4249CO -0.12 -0.40 1.07 0.00 -0.31 0.00 0.00 175.10 175.34 1mx9 n ALA 4250N -0.18 1.41 -0.76 1.32 0.00 -1.26 -1.54 120.51 119.51 1mx9 n ALA 4250Ca -0.11 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.39 1mx9 n ALA 4250Cb 0.63 -1.09 0.37 0.00 0.00 0.00 0.00 19.45 19.36 1mx9 n ALA 4250CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mx9 n LEU 4251N -1.34 5.12 -4.52 0.00 4.77 -1.26 -4.81 117.00 114.96 1mx9 n LEU 4251Ca 0.02 -2.67 -0.43 0.00 -0.03 0.00 0.00 56.01 52.90 1mx9 n LEU 4251Cb 0.05 -0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1mx9 n LEU 4251CO 0.05 0.73 1.63 -0.89 -1.33 0.00 0.00 177.39 177.58 1mx9 s THR 4252N -2.27 4.51 0.00 -5.08 2.01 -0.59 -4.76 115.64 109.46 1mx9 s THR 4252Ca 0.52 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 60.45 1mx9 s THR 4252Cb 0.36 -5.04 0.00 0.00 0.01 0.00 0.00 72.50 67.83 1mx9 s THR 4252CO 0.20 -1.82 0.00 -1.54 -0.69 0.00 0.00 174.62 170.77 1mx9 n SER 4253N 7.22 0.00 0.07 3.53 3.41 -1.26 -0.81 113.62 125.77 1mx9 n SER 4253Ca 0.41 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.98 1mx9 n SER 4253Cb 0.45 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.60 1mx9 n SER 4253CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1mx9 h VAL 4254N 0.00 1.31 0.00 -3.33 3.04 -1.77 -3.14 116.25 112.35 1mx9 h VAL 4254Ca 0.00 -1.54 0.00 0.00 -1.01 0.00 0.00 66.70 64.15 1mx9 h VAL 4254Cb 0.00 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1mx9 h VAL 4254CO 0.00 0.47 0.00 0.18 -1.01 0.00 0.00 177.57 177.21 1mx9 n LEU 4255N -4.02 0.55 -4.19 3.16 4.77 0.01 -4.63 117.00 112.65 1mx9 n LEU 4255Ca -0.02 0.60 -0.34 0.00 -0.03 0.00 0.00 56.01 56.22 1mx9 n LEU 4255Cb 0.49 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 1mx9 n LEU 4255CO 0.43 -0.34 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.03 1mx9 s VAL 4256N -3.17 2.77 -0.26 4.08 1.01 -1.19 -0.37 120.40 123.26 1mx9 s VAL 4256Ca 0.08 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 1mx9 s VAL 4256Cb 0.11 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1mx9 s VAL 4256CO 0.45 0.27 0.85 -0.54 0.00 0.00 0.00 175.10 176.13 1mx9 s LYS 4257N 1.33 4.13 0.09 2.72 -0.14 0.11 -4.93 119.74 123.04 1mx9 s LYS 4257Ca 0.01 0.91 0.09 0.00 -1.36 0.00 0.00 55.97 55.62 1mx9 s LYS 4257Cb -0.16 -3.67 -0.04 0.00 -1.68 0.00 0.00 37.83 32.29 1mx9 s LYS 4257CO -0.06 -0.59 -0.21 0.15 -0.76 0.00 0.00 175.35 173.88 1mx9 s LYS 4258N 2.96 1.79 0.22 1.68 1.02 -1.26 -4.35 119.74 121.80 1mx9 s LYS 4258Ca 0.36 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1mx9 s LYS 4258Cb -0.15 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 1mx9 s LYS 4258CO 0.09 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.43 1mx9 n GLY 4259N 1.20 -1.77 3.62 -3.33 0.00 -1.26 -4.84 105.19 98.81 1mx9 n GLY 4259Ca -0.16 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 1mx9 n GLY 4259CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 4260N -4.00 6.18 0.27 1.61 -1.08 -1.26 -4.85 116.67 113.54 1mx9 s ASP 4260Ca 0.00 1.48 0.23 0.00 -0.52 0.00 0.00 52.55 53.74 1mx9 s ASP 4260Cb 0.00 -2.53 0.24 0.00 -1.46 0.00 0.00 42.92 39.17 1mx9 s ASP 4260CO 0.00 -1.45 1.35 -0.37 0.52 0.00 0.00 175.17 175.22 1mx9 h VAL 4261N 6.43 0.00 -0.92 1.11 -1.51 -1.92 -3.38 116.25 116.06 1mx9 h VAL 4261Ca -0.34 -0.88 0.17 0.00 -1.23 0.00 0.00 66.70 64.42 1mx9 h VAL 4261Cb 1.16 1.61 -0.17 0.00 -2.13 0.00 0.00 31.29 31.76 1mx9 h VAL 4261CO 1.01 0.00 -0.28 1.17 -1.23 0.00 0.00 177.57 178.25 1mx9 n LYS 4262N -2.71 -0.13 -0.29 5.19 3.00 -1.26 -0.90 118.16 121.06 1mx9 n LYS 4262Ca 0.02 1.43 0.11 0.00 -0.00 0.00 0.00 58.31 59.88 1mx9 n LYS 4262Cb 0.52 -2.14 0.26 0.00 0.00 0.00 0.00 35.03 33.67 1mx9 n LYS 4262CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1mx9 h PRO 4263N 0.00 0.27 -0.57 1.64 0.11 -1.95 0.96 132.00 132.46 1mx9 h PRO 4263Ca 0.40 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.40 1mx9 h PRO 4263Cb 0.63 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1mx9 h PRO 4263CO -0.94 0.18 -0.02 1.25 -0.21 0.00 0.00 178.00 178.27 1mx9 h LEU 4264N 0.28 0.99 -0.33 2.35 6.46 -1.32 -2.63 115.31 121.11 1mx9 h LEU 4264Ca 0.51 -0.31 0.06 0.00 -0.12 0.00 0.00 57.88 58.02 1mx9 h LEU 4264Cb 0.97 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.58 1mx9 h LEU 4264CO -0.58 1.07 -0.05 0.00 -0.62 0.00 0.00 178.44 178.26 1mx9 h ALA 4265N 0.96 0.25 -0.83 1.25 0.00 -0.68 -0.45 119.26 119.76 1mx9 h ALA 4265Ca 0.16 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1mx9 h ALA 4265Cb 0.57 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1mx9 h ALA 4265CO 0.03 -0.44 0.44 0.93 0.00 0.00 0.00 179.25 180.21 1mx9 h GLU 4266N 0.03 1.16 -0.90 0.00 5.08 -1.28 0.26 114.58 118.93 1mx9 h GLU 4266Ca 0.16 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1mx9 h GLU 4266Cb 0.23 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1mx9 h GLU 4266CO -0.31 0.87 0.60 0.37 -1.00 0.00 0.00 179.01 179.53 1mx9 h GLN 4267N 1.16 1.17 -0.24 2.33 4.15 -0.90 0.63 115.11 123.41 1mx9 h GLN 4267Ca 0.29 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.55 1mx9 h GLN 4267Cb 0.05 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.47 1mx9 h GLN 4267CO -0.04 0.77 -0.21 0.82 -1.93 0.00 0.00 178.83 178.24 1mx9 h ILE 4268N 1.21 1.31 -0.19 2.39 2.04 -0.42 -1.64 117.51 122.20 1mx9 h ILE 4268Ca 0.33 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1mx9 h ILE 4268Cb -0.12 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1mx9 h ILE 4268CO -0.08 0.42 0.03 0.00 0.00 0.00 0.00 178.15 178.52 1mx9 h ALA 4269N 0.68 0.25 -0.68 1.87 0.00 -0.33 -0.65 119.26 120.40 1mx9 h ALA 4269Ca 0.04 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1mx9 h ALA 4269Cb 0.75 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1mx9 h ALA 4269CO 0.05 -0.07 0.36 0.82 0.00 0.00 0.00 179.25 180.41 1mx9 h ILE 4270N 0.11 0.91 -0.27 0.00 2.04 0.23 0.33 117.51 120.86 1mx9 h ILE 4270Ca 0.06 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1mx9 h ILE 4270Cb 0.32 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1mx9 h ILE 4270CO 0.00 0.12 0.06 0.74 0.00 0.00 0.00 178.15 179.07 1mx9 h THR 4271N 0.64 1.22 0.00 -0.27 2.02 -1.10 -2.30 112.91 113.11 1mx9 h THR 4271Ca 0.32 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1mx9 h THR 4271Cb 0.26 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1mx9 h THR 4271CO -0.22 0.23 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1mx9 n ALA 4272N -2.31 2.00 -2.61 6.16 0.00 -0.27 -4.81 120.51 118.68 1mx9 n ALA 4272Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 1mx9 n ALA 4272Cb 0.19 -1.23 0.02 0.00 0.00 0.00 0.00 19.45 18.43 1mx9 n ALA 4272CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx9 n GLY 4273N -0.13 0.54 3.60 0.00 0.00 -0.59 -5.06 105.19 103.55 1mx9 n GLY 4273Ca 0.10 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1mx9 n GLY 4273CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s LYS 4275N -3.66 3.61 -0.30 0.00 -0.14 -1.26 -4.08 119.74 113.92 1mx9 s LYS 4275Ca 0.32 -0.10 0.09 0.00 -1.36 0.00 0.00 55.97 54.92 1mx9 s LYS 4275Cb -0.04 -2.79 0.52 0.00 -1.68 0.00 0.00 37.83 33.84 1mx9 s LYS 4275CO 0.19 0.39 1.50 0.25 -0.76 0.00 0.00 175.35 176.92 1mx9 n THR 4276N -0.29 2.59 -0.05 2.17 -2.24 -1.26 -4.06 114.28 111.13 1mx9 n THR 4276Ca -0.03 -2.66 -0.07 0.00 -2.27 0.00 0.00 64.05 59.02 1mx9 n THR 4276Cb 0.53 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 1mx9 n THR 4276CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mx9 h THR 4277N 1.04 0.53 -4.32 4.28 2.02 -1.95 -3.45 112.91 111.07 1mx9 h THR 4277Ca 0.24 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.96 1mx9 h THR 4277Cb 1.74 0.53 -0.13 0.00 -1.74 0.00 0.00 68.15 68.54 1mx9 h THR 4277CO 0.43 0.00 -0.51 0.42 0.37 0.00 0.00 175.52 176.23 1mx9 s THR 4278N -6.15 0.15 0.08 3.16 -4.23 -1.26 -5.05 115.64 102.34 1mx9 s THR 4278Ca -0.14 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.21 1mx9 s THR 4278Cb 0.12 -2.47 -0.14 0.00 1.34 0.00 0.00 72.50 71.35 1mx9 s THR 4278CO 0.69 0.00 1.31 0.28 -0.54 0.00 0.00 174.62 176.35 1mx9 h SER 4279N 2.12 0.77 -0.07 3.99 0.02 -1.97 -2.98 113.55 115.44 1mx9 h SER 4279Ca -0.29 -0.59 -0.09 0.00 -0.84 0.00 0.00 61.79 59.97 1mx9 h SER 4279Cb 1.24 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1mx9 h SER 4279CO 0.44 1.23 -0.24 0.00 -1.14 0.00 0.00 176.83 177.12 1mx9 h ALA 4280N 0.56 1.10 -0.10 3.77 0.00 -1.97 -1.60 119.26 121.03 1mx9 h ALA 4280Ca -0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1mx9 h ALA 4280Cb 1.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1mx9 h ALA 4280CO 0.11 0.56 -0.41 0.28 0.00 0.00 0.00 179.25 179.79 1mx9 h VAL 4281N 0.44 1.31 0.13 0.00 2.07 -1.91 0.22 116.25 118.51 1mx9 h VAL 4281Ca 0.07 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1mx9 h VAL 4281Cb 0.66 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1mx9 h VAL 4281CO 0.05 0.45 -0.06 0.24 0.02 0.00 0.00 177.57 178.27 1mx9 h MET 4282N 0.18 -0.17 -0.75 1.57 2.86 -1.28 -1.31 114.93 116.03 1mx9 h MET 4282Ca 0.02 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1mx9 h MET 4282Cb 0.81 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 1mx9 h MET 4282CO 0.06 0.20 0.36 0.28 1.06 0.00 0.00 176.91 178.87 1mx9 h VAL 4283N -0.58 1.24 -0.43 -2.22 2.07 -1.15 -1.56 116.25 113.62 1mx9 h VAL 4283Ca -0.02 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.69 1mx9 h VAL 4283Cb 0.45 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1mx9 h VAL 4283CO 0.03 0.28 -0.28 -0.74 0.02 0.00 0.00 177.57 176.89 1mx9 h HIS 4284N 1.07 1.10 -0.40 1.57 -0.00 -0.56 -1.25 115.15 116.68 1mx9 h HIS 4284Ca 0.26 -0.29 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 1mx9 h HIS 4284Cb 0.11 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 1mx9 h HIS 4284CO 0.01 1.11 -0.05 0.00 -0.00 0.00 0.00 177.93 179.00 1mx9 h LEU 4286N 0.62 0.84 -2.47 0.00 3.38 -1.08 -3.01 115.31 113.60 1mx9 h LEU 4286Ca 0.12 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1mx9 h LEU 4286Cb 0.46 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1mx9 h LEU 4286CO 0.02 1.20 0.00 0.03 0.09 0.00 0.00 178.44 179.78 1mx9 h ARG 4287N 0.60 0.00 0.00 1.13 3.08 -1.11 -1.75 114.38 116.32 1mx9 h ARG 4287Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1mx9 h ARG 4287Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1mx9 h ARG 4287CO 0.11 0.00 -0.75 1.04 -1.07 0.00 0.00 179.97 179.30 1mx9 n GLN 4288N -3.08 0.09 -1.82 0.04 6.02 -1.14 -4.80 117.38 112.69 1mx9 n GLN 4288Ca -0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.64 1mx9 n GLN 4288Cb 0.15 -1.54 0.05 0.00 1.02 0.00 0.00 30.24 29.92 1mx9 n GLN 4288CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1mx9 s LYS 4289N -3.06 2.80 0.71 -1.09 -0.14 -0.66 -5.01 119.74 113.29 1mx9 s LYS 4289Ca 0.08 1.55 -0.08 0.00 -1.36 0.00 0.00 55.97 56.16 1mx9 s LYS 4289Cb 0.16 -1.94 0.05 0.00 -1.68 0.00 0.00 37.83 34.42 1mx9 s LYS 4289CO 0.76 -1.28 1.04 0.95 -0.76 0.00 0.00 175.35 176.07 1mx9 s THR 4290N -2.09 2.60 0.11 2.17 -4.23 -1.26 -4.89 115.64 108.05 1mx9 s THR 4290Ca 0.70 -0.07 -0.28 0.00 -1.18 0.00 0.00 61.69 60.86 1mx9 s THR 4290Cb -0.24 -3.14 -0.10 0.00 1.34 0.00 0.00 72.50 70.37 1mx9 s THR 4290CO 0.38 -0.16 1.63 -0.08 -0.54 0.00 0.00 174.62 175.85 1mx9 h GLU 4291N -0.64 -0.53 -0.06 3.99 4.81 -1.98 -1.54 114.58 118.64 1mx9 h GLU 4291Ca -0.45 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1mx9 h GLU 4291Cb 1.30 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 1mx9 h GLU 4291CO 0.62 -0.35 -0.01 1.49 -0.73 0.00 0.00 179.01 180.03 1mx9 h GLU 4292N -0.55 0.08 -0.38 1.92 4.57 -1.99 -0.67 114.58 117.56 1mx9 h GLU 4292Ca 0.02 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1mx9 h GLU 4292Cb 0.56 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1mx9 h GLU 4292CO -0.14 0.10 -0.03 0.93 -1.18 0.00 0.00 179.01 178.69 1mx9 h GLU 4293N 0.08 0.70 0.00 1.92 5.08 -1.75 -2.04 114.58 118.56 1mx9 h GLU 4293Ca 0.02 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1mx9 h GLU 4293Cb 0.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1mx9 h GLU 4293CO 0.00 0.81 -0.54 -0.07 -1.00 0.00 0.00 179.01 178.21 1mx9 h LEU 4294N 0.51 0.00 -0.39 1.33 3.38 -0.34 -2.84 115.31 116.96 1mx9 h LEU 4294Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1mx9 h LEU 4294Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1mx9 h LEU 4294CO 0.03 0.54 -0.22 0.25 0.09 0.00 0.00 178.44 179.12 1mx9 h LEU 4295N 0.00 0.88 -1.97 1.67 5.85 -1.06 -1.87 115.31 118.80 1mx9 h LEU 4295Ca -0.01 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1mx9 h LEU 4295Cb 1.00 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1mx9 h LEU 4295CO 0.07 1.10 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.87 1mx9 h GLU 4296N 0.65 0.00 -0.11 1.25 5.08 -1.15 -0.92 114.58 119.39 1mx9 h GLU 4296Ca 0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1mx9 h GLU 4296Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1mx9 h GLU 4296CO 0.06 0.07 -0.15 1.15 -1.00 0.00 0.00 179.01 179.14 1mx9 h THR 4297N 0.00 1.38 -0.85 1.13 2.02 -1.22 -2.54 112.91 112.83 1mx9 h THR 4297Ca -0.00 -1.38 0.07 0.00 0.77 0.00 0.00 66.41 65.87 1mx9 h THR 4297Cb 0.14 2.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 1mx9 h THR 4297CO 0.01 0.40 0.51 0.74 0.37 0.00 0.00 175.52 177.55 1mx9 h THR 4298N -0.14 0.99 0.00 3.16 2.02 -0.54 0.14 112.91 118.55 1mx9 h THR 4298Ca 0.01 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 1mx9 h THR 4298Cb 0.71 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1mx9 h THR 4298CO 0.04 0.17 -0.20 -0.07 0.37 0.00 0.00 175.52 175.82 1mx9 h LEU 4299N 0.91 0.00 0.17 2.58 3.38 -1.15 -2.97 115.31 118.23 1mx9 h LEU 4299Ca 0.39 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.02 1mx9 h LEU 4299Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1mx9 h LEU 4299CO -0.20 0.20 -1.64 0.11 0.09 0.00 0.00 178.44 177.00 1mx9 h LYS 4300N 0.00 0.37 -0.01 1.13 1.57 -0.74 -3.23 116.57 115.65 1mx9 h LYS 4300Ca -0.00 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1mx9 h LYS 4300Cb 0.59 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1mx9 h LYS 4300CO 0.03 1.27 0.08 0.52 -0.57 0.00 0.00 179.45 180.77 1mx9 h MET 4301N 0.10 0.00 -6.18 3.15 2.86 -0.91 -3.45 114.93 110.50 1mx9 h MET 4301Ca -0.30 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 56.91 1mx9 h MET 4301Cb 2.08 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.77 1mx9 h MET 4301CO 0.19 0.00 -0.84 1.63 1.06 0.00 0.00 176.91 178.95 1mx9 n LYS 4302N -3.19 -4.62 -0.96 1.72 5.02 -1.13 -4.93 118.16 110.07 1mx9 n LYS 4302Ca -0.02 0.58 -0.31 0.00 -2.02 0.00 0.00 58.31 56.53 1mx9 n LYS 4302Cb 0.15 -5.07 0.13 0.00 -0.02 0.00 0.00 35.03 30.22 1mx9 n LYS 4302CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1mx9 s PHE 4303N -3.71 2.06 -0.71 2.13 2.99 -1.25 -3.49 117.98 116.00 1mx9 s PHE 4303Ca 0.03 1.67 0.00 0.00 0.00 0.00 0.00 56.93 58.63 1mx9 s PHE 4303Cb -0.02 -3.20 0.00 0.00 0.00 0.00 0.00 43.02 39.80 1mx9 s PHE 4303CO 0.83 -2.36 0.00 1.28 -0.00 0.00 0.00 175.22 174.97 1mx9 n LEU 4304N -3.92 -0.50 -4.35 -0.37 7.99 0.35 -5.00 117.00 111.20 1mx9 n LEU 4304Ca 0.10 0.16 -0.19 0.00 -0.01 0.00 0.00 56.01 56.08 1mx9 n LEU 4304Cb 0.53 -1.26 -0.09 0.00 -0.11 0.00 0.00 43.42 42.48 1mx9 n LEU 4304CO 0.51 -0.35 -0.21 -0.44 -1.51 0.00 0.00 177.39 175.40 1mx9 s SER 4305N -2.93 1.65 -0.40 -1.43 0.01 -1.23 -4.35 113.70 105.02 1mx9 s SER 4305Ca 0.00 -1.54 -0.07 0.00 1.31 0.00 0.00 55.95 55.66 1mx9 s SER 4305Cb 0.00 0.34 0.08 0.00 0.21 0.00 0.00 66.02 66.65 1mx9 s SER 4305CO 0.00 -0.86 0.21 -0.22 0.41 0.00 0.00 173.24 172.78 1mx9 s LEU 4306N -3.39 5.00 -0.35 2.44 2.96 -1.07 -4.72 118.68 119.56 1mx9 s LEU 4306Ca 0.35 -1.60 -0.28 0.00 -0.22 0.00 0.00 54.13 52.38 1mx9 s LEU 4306Cb 0.05 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1mx9 s LEU 4306CO 0.17 -0.50 1.85 -0.62 -1.32 0.00 0.00 176.35 175.93 1mx9 s ASP 4307N 1.93 5.77 0.00 3.68 3.68 -1.26 -4.81 116.67 125.66 1mx9 s ASP 4307Ca 0.03 1.27 0.30 0.00 2.13 0.00 0.00 52.55 56.27 1mx9 s ASP 4307Cb -0.22 -2.52 1.43 0.00 -1.45 0.00 0.00 42.92 40.15 1mx9 s ASP 4307CO 0.00 -1.81 1.96 0.18 0.13 0.00 0.00 175.17 175.63 1mx9 n LEU 4308N 10.73 0.82 -4.30 -1.34 4.77 -1.26 -4.82 117.00 121.60 1mx9 n LEU 4308Ca 0.24 -0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 1mx9 n LEU 4308Cb 0.47 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1mx9 n LEU 4308CO 0.69 0.14 -0.50 -1.58 -1.33 0.00 0.00 177.39 174.80 1mx9 s GLN 4309N -2.02 1.16 0.00 3.23 -0.44 -1.26 -5.09 119.66 115.25 1mx9 s GLN 4309Ca 0.42 -1.24 0.00 0.00 -2.50 0.00 0.00 55.36 52.04 1mx9 s GLN 4309Cb 0.21 -1.34 0.00 0.00 -1.64 0.00 0.00 33.01 30.24 1mx9 s GLN 4309CO 0.36 0.30 0.00 0.41 0.50 0.00 0.00 175.29 176.85 1mx9 n GLY 4310N 0.80 -1.21 3.64 2.59 0.00 -1.26 -4.82 105.19 104.93 1mx9 n GLY 4310Ca -0.17 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1mx9 n GLY 4310CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 4311N -3.53 6.18 0.63 1.61 -1.08 -1.26 -4.84 116.67 114.38 1mx9 s ASP 4311Ca 0.00 2.34 0.32 0.00 -0.52 0.00 0.00 52.55 54.70 1mx9 s ASP 4311Cb 0.00 -2.53 1.81 0.00 -1.46 0.00 0.00 42.92 40.74 1mx9 s ASP 4311CO 0.00 -1.32 2.10 -0.65 0.52 0.00 0.00 175.17 175.83 1mx9 h PRO 4312N 11.78 0.00 0.00 4.34 0.11 -1.89 -1.59 132.00 144.75 1mx9 h PRO 4312Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1mx9 h PRO 4312Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1mx9 h PRO 4312CO 0.95 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.28 1mx9 n ARG 4313N -3.40 0.10 -0.07 1.05 1.74 -1.26 -3.81 116.66 111.00 1mx9 n ARG 4313Ca 0.00 0.16 -0.15 0.00 -0.77 0.00 0.00 57.85 57.09 1mx9 n ARG 4313Cb 0.30 -1.64 -0.14 0.00 -1.02 0.00 0.00 32.46 29.97 1mx9 n ARG 4313CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1mx9 n GLU 4314N -1.82 0.68 -1.63 5.56 1.02 -0.60 -4.96 120.64 118.89 1mx9 n GLU 4314Ca 0.05 0.16 -0.45 0.00 -0.02 0.00 0.00 57.16 56.90 1mx9 n GLU 4314Cb 0.32 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 1mx9 n GLU 4314CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1mx9 n SER 4315N -3.15 1.94 -3.95 1.62 3.41 -1.24 -4.96 113.62 107.28 1mx9 n SER 4315Ca -0.35 1.17 -0.30 0.00 -0.26 0.00 0.00 58.87 59.13 1mx9 n SER 4315Cb 1.05 -1.35 -0.14 0.00 -0.26 0.00 0.00 64.21 63.51 1mx9 n SER 4315CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1mx9 s GLN 4316N -1.24 1.85 0.65 4.33 2.00 -1.26 -4.83 119.66 121.16 1mx9 s GLN 4316Ca 0.62 -2.45 0.29 0.00 -2.00 0.00 0.00 55.36 51.81 1mx9 s GLN 4316Cb -0.68 -3.26 1.55 0.00 0.80 0.00 0.00 33.01 31.43 1mx9 s GLN 4316CO 0.57 -1.08 1.87 -1.00 -0.50 0.00 0.00 175.29 175.16 1mx9 h PRO 4317N 6.72 0.00 -1.19 1.67 0.13 -1.92 -3.45 132.00 133.96 1mx9 h PRO 4317Ca -0.07 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.38 1mx9 h PRO 4317Cb 0.92 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.87 1mx9 h PRO 4317CO 0.65 0.00 0.92 -0.48 -0.23 0.00 0.00 178.00 178.86 1mx9 s LEU 4318N -5.65 -0.05 -0.42 1.56 0.05 -1.26 0.13 118.68 113.04 1mx9 s LEU 4318Ca -0.03 -0.02 -0.20 0.00 0.05 0.00 0.00 54.13 53.93 1mx9 s LEU 4318Cb 0.08 1.16 0.02 0.00 -2.05 0.00 0.00 46.19 45.40 1mx9 s LEU 4318CO 0.26 -0.11 0.60 -0.76 -0.55 0.00 0.00 176.35 175.80 1mx9 s LEU 4319N -2.37 4.51 0.00 1.48 1.43 -1.26 -5.04 118.68 117.43 1mx9 s LEU 4319Ca 0.12 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1mx9 s LEU 4319Cb 0.01 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1mx9 s LEU 4319CO -0.04 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.44 1mx9 n GLY 4320N 4.98 5.67 3.76 -3.19 0.00 -1.26 -4.76 105.19 110.39 1mx9 n GLY 4320Ca -0.03 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 1mx9 n GLY 4320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx9 s THR 4321N 0.77 2.03 0.24 2.61 2.01 0.50 -4.67 115.64 119.12 1mx9 s THR 4321Ca 0.00 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1mx9 s THR 4321Cb 0.00 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 1mx9 s THR 4321CO 0.00 0.00 0.02 0.68 -0.69 0.00 0.00 174.62 174.63 1mx9 s VAL 4322N -1.23 0.94 -0.63 3.82 -7.23 -1.26 0.05 120.40 114.87 1mx9 s VAL 4322Ca 0.64 -2.02 -0.18 0.00 -1.81 0.00 0.00 61.98 58.61 1mx9 s VAL 4322Cb -0.43 -2.41 0.12 0.00 0.56 0.00 0.00 36.38 34.21 1mx9 s VAL 4322CO 0.54 -0.26 0.72 -0.63 -0.31 0.00 0.00 175.10 175.17 1mx9 s ILE 4323N -3.48 4.90 -0.20 -0.62 -1.09 -1.26 -4.79 121.20 114.67 1mx9 s ILE 4323Ca 0.30 -1.19 0.22 0.00 -2.23 0.00 0.00 60.65 57.76 1mx9 s ILE 4323Cb 0.06 -4.50 -0.09 0.00 -1.58 0.00 0.00 42.46 36.36 1mx9 s ILE 4323CO 0.10 -1.13 0.91 -0.90 -1.23 0.00 0.00 174.94 172.69 1mx9 n ASP 4324N 6.08 0.63 0.00 3.58 3.85 -1.20 -4.98 116.55 124.52 1mx9 n ASP 4324Ca -0.06 0.23 0.00 0.00 -0.71 0.00 0.00 54.79 54.25 1mx9 n ASP 4324Cb 0.43 0.83 0.00 0.00 -1.35 0.00 0.00 41.12 41.03 1mx9 n ASP 4324CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1mx9 n GLY 4325N 1.21 1.34 0.07 6.12 0.00 -0.17 -4.80 105.19 108.95 1mx9 n GLY 4325Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1mx9 n GLY 4325CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mx9 n MET 4326N -2.00 1.10 -0.04 1.61 2.81 -1.26 -4.67 117.12 114.67 1mx9 n MET 4326Ca 0.00 0.05 -0.05 0.00 -1.81 0.00 0.00 57.70 55.89 1mx9 n MET 4326Cb 0.00 -1.30 -0.05 0.00 -0.71 0.00 0.00 33.22 31.16 1mx9 n MET 4326CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1mx9 n LEU 4327N -2.72 1.54 -3.73 4.03 7.94 -1.26 -4.63 117.00 118.17 1mx9 n LEU 4327Ca -0.23 -0.03 -0.28 0.00 -1.11 0.00 0.00 56.01 54.36 1mx9 n LEU 4327Cb 0.82 -0.08 -0.16 0.00 0.53 0.00 0.00 43.42 44.53 1mx9 n LEU 4327CO 0.19 0.42 -0.36 -0.76 -1.11 0.00 0.00 177.39 175.78 1mx9 s LEU 4328N -5.05 1.37 0.00 -1.96 1.43 -1.26 -4.12 118.68 109.09 1mx9 s LEU 4328Ca -0.08 -1.01 0.31 0.00 -1.03 0.00 0.00 54.13 52.32 1mx9 s LEU 4328Cb 0.03 -0.64 1.61 0.00 0.03 0.00 0.00 46.19 47.22 1mx9 s LEU 4328CO 0.25 -0.33 2.09 0.18 0.23 0.00 0.00 176.35 178.77 1mx9 n LEU 4329N 5.02 0.03 -3.54 1.79 4.77 -1.26 -1.00 117.00 122.80 1mx9 n LEU 4329Ca -0.08 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1mx9 n LEU 4329Cb 0.46 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1mx9 n LEU 4329CO 0.12 0.01 0.75 -1.59 -1.33 0.00 0.00 177.39 175.34 1mx9 s LYS 4330N -2.41 0.77 0.75 3.23 -2.85 -1.26 -4.83 119.74 113.13 1mx9 s LYS 4330Ca 0.34 -0.30 -0.16 0.00 -1.00 0.00 0.00 55.97 54.85 1mx9 s LYS 4330Cb 0.21 0.34 -0.00 0.00 -2.06 0.00 0.00 37.83 36.31 1mx9 s LYS 4330CO 0.44 -0.34 0.76 0.25 0.10 0.00 0.00 175.35 176.56 1mx9 n THR 4331N -0.25 2.07 -0.28 3.79 -2.24 -1.26 -4.66 114.28 111.44 1mx9 n THR 4331Ca -0.07 -0.35 0.01 0.00 -2.27 0.00 0.00 64.05 61.37 1mx9 n THR 4331Cb 0.61 -0.91 0.21 0.00 -2.10 0.00 0.00 70.33 68.14 1mx9 n THR 4331CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1mx9 h PRO 4332N -0.47 1.07 -0.97 -0.78 0.11 -1.98 0.01 132.00 129.00 1mx9 h PRO 4332Ca -0.46 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 65.69 1mx9 h PRO 4332Cb 1.33 -0.24 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 1mx9 h PRO 4332CO 0.44 0.71 0.60 0.93 -0.21 0.00 0.00 178.00 180.47 1mx9 h GLU 4333N 1.11 0.95 0.00 1.05 3.07 -1.90 -0.27 114.58 118.59 1mx9 h GLU 4333Ca 0.33 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.10 1mx9 h GLU 4333Cb -0.03 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.66 1mx9 h GLU 4333CO -0.09 0.63 -0.44 0.93 -1.40 0.00 0.00 179.01 178.63 1mx9 h GLU 4334N 0.98 0.00 0.00 2.33 5.08 -1.70 -3.21 114.58 118.06 1mx9 h GLU 4334Ca 0.47 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.72 1mx9 h GLU 4334Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1mx9 h GLU 4334CO -0.25 0.12 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.29 1mx9 h LEU 4335N 0.00 0.00 0.00 1.33 3.38 0.70 -3.12 115.31 117.60 1mx9 h LEU 4335Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1mx9 h LEU 4335Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1mx9 h LEU 4335CO 0.02 0.52 -0.80 0.00 0.09 0.00 0.00 178.44 178.26 1mx9 n GLN 4336N -3.37 0.04 0.00 1.13 10.64 -0.65 -4.53 117.38 120.65 1mx9 n GLN 4336Ca 0.01 -0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1mx9 n GLN 4336Cb 0.67 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.54 1mx9 n GLN 4336CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1mx9 n ALA 4337N -1.55 0.00 -1.75 2.61 0.00 -1.18 -4.67 120.51 113.97 1mx9 n ALA 4337Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1mx9 n ALA 4337Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 1mx9 n ALA 4337CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mx9 n GLU 4338N -0.41 2.52 -1.66 0.00 -0.00 -1.25 -4.84 120.64 115.00 1mx9 n GLU 4338Ca 0.00 0.89 -0.46 0.00 -0.00 0.00 0.00 57.16 57.58 1mx9 n GLU 4338Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 31.44 28.81 1mx9 n GLU 4338CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1mx9 n ARG 4339N 0.85 2.33 -2.15 3.44 3.00 -1.26 -4.96 116.66 117.92 1mx9 n ARG 4339Ca 0.04 0.84 -0.15 0.00 -0.00 0.00 0.00 57.85 58.58 1mx9 n ARG 4339Cb 0.37 -2.79 0.07 0.00 0.00 0.00 0.00 32.46 30.12 1mx9 n ARG 4339CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1mx9 n ASN 4340N 7.37 1.17 0.00 6.15 3.02 -1.26 -5.12 115.26 126.59 1mx9 n ASN 4340Ca 0.23 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 1mx9 n ASN 4340Cb 0.34 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1mx9 n ASN 4340CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1mx9 n PHE 4341N -2.21 0.00 -2.35 3.10 3.01 -1.26 -4.89 117.46 112.87 1mx9 n PHE 4341Ca 0.12 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.16 1mx9 n PHE 4341Cb 0.42 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.78 1mx9 n PHE 4341CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1mx9 s HIS 4342N -0.31 2.20 -0.53 1.38 3.76 -1.26 -4.96 115.29 115.57 1mx9 s HIS 4342Ca 0.00 0.48 -0.07 0.00 -0.15 0.00 0.00 55.06 55.32 1mx9 s HIS 4342Cb 0.00 -4.36 0.14 0.00 1.11 0.00 0.00 32.58 29.46 1mx9 s HIS 4342CO 0.00 -2.06 0.38 0.95 -0.85 0.00 0.00 174.74 173.16 1mx9 s THR 4343N 6.36 4.05 0.10 1.30 -4.23 -1.26 -5.01 115.64 116.96 1mx9 s THR 4343Ca 0.54 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1mx9 s THR 4343Cb -0.11 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1mx9 s THR 4343CO 0.24 -0.81 0.23 0.68 -0.54 0.00 0.00 174.62 174.43 1mx9 s VAL 4344N 0.88 5.29 0.05 2.29 -7.23 -1.26 -4.74 120.40 115.67 1mx9 s VAL 4344Ca 0.10 -0.56 -0.34 0.00 -1.81 0.00 0.00 61.98 59.37 1mx9 s VAL 4344Cb -0.23 -3.64 -0.13 0.00 0.56 0.00 0.00 36.38 32.94 1mx9 s VAL 4344CO -0.03 0.03 1.71 -2.65 -0.31 0.00 0.00 175.10 173.86 1mx9 n PRO 4345N -0.08 2.15 -5.00 4.82 -0.02 -1.26 -4.66 135.00 130.95 1mx9 n PRO 4345Ca -0.06 0.78 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 1mx9 n PRO 4345Cb 0.52 -2.59 -0.16 0.00 -0.02 0.00 0.00 33.50 31.26 1mx9 n PRO 4345CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1mx9 s TYR 4346N 2.33 2.68 -0.24 6.00 6.04 -0.45 -1.84 117.35 131.86 1mx9 s TYR 4346Ca 0.85 -0.79 -0.04 0.00 0.04 0.00 0.00 57.07 57.13 1mx9 s TYR 4346Cb -0.69 -1.76 0.00 0.00 -1.04 0.00 0.00 41.96 38.48 1mx9 s TYR 4346CO 0.44 -0.28 -0.02 1.41 -1.54 0.00 0.00 175.55 175.56 1mx9 s MET 4347N 0.26 3.17 -0.20 4.97 -2.45 0.10 -1.67 119.30 123.48 1mx9 s MET 4347Ca -0.13 -0.77 -0.01 0.00 -1.25 0.00 0.00 55.69 53.53 1mx9 s MET 4347Cb -0.16 -3.08 0.00 0.00 1.25 0.00 0.00 34.83 32.84 1mx9 s MET 4347CO 0.07 -0.30 -0.12 0.08 1.05 0.00 0.00 175.02 175.80 1mx9 s VAL 4348N 1.44 2.76 0.22 10.11 1.01 -0.54 -0.19 120.40 135.22 1mx9 s VAL 4348Ca 0.04 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1mx9 s VAL 4348Cb -0.15 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1mx9 s VAL 4348CO -0.02 0.48 -0.10 -0.83 0.00 0.00 0.00 175.10 174.63 1mx9 s GLY 4349N 1.33 1.52 0.11 4.51 0.00 -0.34 -3.42 107.32 111.04 1mx9 s GLY 4349Ca 0.04 -1.73 -0.06 0.00 0.00 0.00 0.00 44.72 42.97 1mx9 s GLY 4349CO -0.07 -1.75 0.16 -0.26 0.00 0.00 0.00 173.10 171.18 1mx9 s ILE 4350N -3.08 0.13 0.23 0.90 -4.36 -1.00 0.39 121.20 114.40 1mx9 s ILE 4350Ca 0.25 -1.46 0.06 0.00 -0.26 0.00 0.00 60.65 59.24 1mx9 s ILE 4350Cb 0.02 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 1mx9 s ILE 4350CO 0.08 -0.58 0.22 0.20 0.24 0.00 0.00 174.94 175.10 1mx9 s ASN 4351N -2.93 5.70 0.23 4.36 0.02 -1.26 -0.22 114.94 120.84 1mx9 s ASN 4351Ca 0.12 -0.15 -0.07 0.00 -1.02 0.00 0.00 52.86 51.74 1mx9 s ASN 4351Cb 0.05 -1.52 0.35 0.00 0.02 0.00 0.00 41.25 40.16 1mx9 s ASN 4351CO -0.06 -0.02 1.77 0.50 0.02 0.00 0.00 177.10 179.31 1mx9 h LYS 4352N 1.63 0.55 -2.90 -0.60 1.63 -0.18 -3.31 116.57 113.37 1mx9 h LYS 4352Ca -0.49 -0.03 -0.61 0.00 -0.85 0.00 0.00 60.65 58.67 1mx9 h LYS 4352Cb 1.23 -0.12 -0.41 0.00 -0.60 0.00 0.00 32.23 32.33 1mx9 h LYS 4352CO 0.62 0.36 -0.71 -0.65 -3.45 0.00 0.00 179.45 175.62 1mx9 s GLN 4353N -6.06 1.83 0.21 1.90 -0.21 0.11 -4.95 119.66 112.48 1mx9 s GLN 4353Ca -0.13 -2.75 -0.06 0.00 0.02 0.00 0.00 55.36 52.45 1mx9 s GLN 4353Cb 0.18 -2.71 0.16 0.00 1.00 0.00 0.00 33.01 31.64 1mx9 s GLN 4353CO 0.76 -1.28 1.64 0.93 -2.12 0.00 0.00 175.29 175.22 1mx9 h GLU 4354N 5.76 0.87 -0.51 2.91 4.39 -1.70 -2.01 114.58 124.30 1mx9 h GLU 4354Ca 0.13 -0.32 -0.09 0.00 0.34 0.00 0.00 59.36 59.42 1mx9 h GLU 4354Cb 0.83 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 1mx9 h GLU 4354CO 0.59 0.96 0.08 0.34 -1.16 0.00 0.00 179.01 179.82 1mx9 n PHE 4355N -4.14 1.75 0.24 4.33 -0.00 -1.26 -3.27 117.46 115.11 1mx9 n PHE 4355Ca 0.01 -1.01 -0.16 0.00 -0.00 0.00 0.00 57.45 56.28 1mx9 n PHE 4355Cb 0.40 -0.51 -0.08 0.00 -0.00 0.00 0.00 39.48 39.29 1mx9 n PHE 4355CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1mx9 h GLY 4356N 2.57 -0.99 0.00 7.13 0.00 -1.84 -3.43 103.07 106.52 1mx9 h GLY 4356Ca 0.11 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1mx9 h GLY 4356CO 0.48 -0.33 0.00 1.87 0.00 0.00 0.00 176.54 178.56 1mx9 n TRP 4357N -5.50 -0.65 0.08 5.60 -0.00 -1.26 -4.94 117.44 110.76 1mx9 n TRP 4357Ca -0.10 0.09 -0.15 0.00 -0.00 0.00 0.00 57.50 57.33 1mx9 n TRP 4357Cb 0.40 0.57 -0.09 0.00 -0.00 0.00 0.00 31.31 32.20 1mx9 n TRP 4357CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1mx9 h LEU 4358N 0.00 -1.52 0.40 5.87 5.85 -1.89 -1.69 115.31 122.34 1mx9 h LEU 4358Ca 0.00 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1mx9 h LEU 4358Cb 0.00 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1mx9 h LEU 4358CO 0.00 -0.52 -0.26 0.40 -0.34 0.00 0.00 178.44 177.72 1mx9 h ILE 4359N -0.68 0.46 -0.99 4.05 2.04 -1.88 -0.54 117.51 119.97 1mx9 h ILE 4359Ca 0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.06 1mx9 h ILE 4359Cb 0.72 0.46 -0.10 0.00 -0.74 0.00 0.00 36.82 37.17 1mx9 h ILE 4359CO -0.32 0.00 0.61 -0.65 0.00 0.00 0.00 178.15 177.80 1mx9 h PRO 4360N -0.64 0.72 -0.20 2.37 0.11 -1.81 0.45 132.00 133.00 1mx9 h PRO 4360Ca -0.04 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.95 1mx9 h PRO 4360Cb 0.53 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1mx9 h PRO 4360CO 0.04 0.48 -0.15 1.98 -0.21 0.00 0.00 178.00 180.14 1mx9 h MET 4361N 0.75 0.45 0.00 1.05 1.85 -1.02 -1.15 114.93 116.86 1mx9 h MET 4361Ca 0.55 -0.22 -0.08 0.00 -0.61 0.00 0.00 59.70 59.34 1mx9 h MET 4361Cb 0.88 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 1mx9 h MET 4361CO -0.33 0.78 -0.40 -0.07 -0.40 0.00 0.00 176.91 176.48 1mx9 h LEU 4363N 0.13 0.00 -0.76 3.39 3.38 0.37 -2.93 115.31 118.89 1mx9 h LEU 4363Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1mx9 h LEU 4363Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1mx9 h LEU 4363CO 0.04 0.40 -0.04 0.23 0.09 0.00 0.00 178.44 179.17 1mx9 n MET 4364N -3.73 1.44 -3.37 1.13 2.81 0.14 -4.82 117.12 110.73 1mx9 n MET 4364Ca -0.01 -0.76 -0.16 0.00 -1.81 0.00 0.00 57.70 54.96 1mx9 n MET 4364Cb 0.48 -1.48 0.09 0.00 -0.71 0.00 0.00 33.22 31.59 1mx9 n MET 4364CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1mx9 n SER 4365N -0.12 -2.15 -4.80 7.83 7.64 -0.99 -2.59 113.62 118.45 1mx9 n SER 4365Ca 0.19 -0.59 -0.34 0.00 1.01 0.00 0.00 58.87 59.14 1mx9 n SER 4365Cb 0.32 -4.92 -0.04 0.00 -1.01 0.00 0.00 64.21 58.56 1mx9 n SER 4365CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1mx9 s TYR 4366N -3.34 3.05 -1.23 1.43 5.04 -0.47 -4.73 117.35 117.10 1mx9 s TYR 4366Ca 0.01 1.59 -0.11 0.00 -2.44 0.00 0.00 57.07 56.12 1mx9 s TYR 4366Cb -0.01 -3.04 0.18 0.00 0.35 0.00 0.00 41.96 39.44 1mx9 s TYR 4366CO 0.70 -0.72 1.62 -2.30 -1.34 0.00 0.00 175.55 173.51 1mx9 n PRO 4367N -0.88 3.52 -2.13 4.97 -0.02 -1.26 -4.80 135.00 134.41 1mx9 n PRO 4367Ca 0.09 -3.75 -0.13 0.00 -2.02 0.00 0.00 63.50 57.69 1mx9 n PRO 4367Cb 0.53 -2.96 0.04 0.00 -0.02 0.00 0.00 33.50 31.09 1mx9 n PRO 4367CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1mx9 n LEU 4368N 4.63 3.54 -0.06 2.45 4.77 -1.26 -4.87 117.00 126.20 1mx9 n LEU 4368Ca 0.37 -4.03 -0.05 0.00 -0.03 0.00 0.00 56.01 52.28 1mx9 n LEU 4368Cb 0.39 -0.09 0.16 0.00 -2.33 0.00 0.00 43.42 41.55 1mx9 n LEU 4368CO 0.71 1.65 0.79 0.77 -1.33 0.00 0.00 177.39 179.97 1mx9 h SER 4369N 2.16 0.67 0.37 -1.43 4.64 -1.96 -3.12 113.55 114.88 1mx9 h SER 4369Ca 0.16 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1mx9 h SER 4369Cb 1.43 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1mx9 h SER 4369CO 0.49 0.83 0.00 -0.62 -0.87 0.00 0.00 176.83 176.66 1mx9 n GLU 4370N -4.16 0.00 -0.26 4.77 -0.58 -1.26 -4.85 120.64 114.30 1mx9 n GLU 4370Ca 0.01 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1mx9 n GLU 4370Cb 0.37 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1mx9 n GLU 4370CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mx9 n GLY 4371N -0.37 0.16 3.47 0.62 0.00 -1.18 -4.91 105.19 102.98 1mx9 n GLY 4371Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1mx9 n GLY 4371CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mx9 s GLN 4372N -0.45 1.68 -0.23 1.61 -2.07 -1.26 -4.57 119.66 114.38 1mx9 s GLN 4372Ca 0.00 -1.59 -0.11 0.00 -1.82 0.00 0.00 55.36 51.84 1mx9 s GLN 4372Cb 0.00 -1.87 0.08 0.00 -1.09 0.00 0.00 33.01 30.14 1mx9 s GLN 4372CO 0.00 0.37 0.53 -1.17 -1.32 0.00 0.00 175.29 173.70 1mx9 s LEU 4373N -3.08 -0.61 0.26 2.60 2.96 0.65 -4.86 118.68 116.61 1mx9 s LEU 4373Ca 0.25 1.19 0.06 0.00 -0.22 0.00 0.00 54.13 55.42 1mx9 s LEU 4373Cb -0.07 1.78 -0.03 0.00 0.50 0.00 0.00 46.19 48.38 1mx9 s LEU 4373CO 0.13 -0.22 0.33 1.51 -1.32 0.00 0.00 176.35 176.78 1mx9 s ASP 4374N 1.94 5.98 0.33 3.68 -4.77 -1.26 -4.21 116.67 118.37 1mx9 s ASP 4374Ca -0.08 -0.09 0.07 0.00 -3.30 0.00 0.00 52.55 49.15 1mx9 s ASP 4374Cb -0.09 -1.58 0.75 0.00 -1.09 0.00 0.00 42.92 40.91 1mx9 s ASP 4374CO -0.16 -0.13 1.84 1.56 0.70 0.00 0.00 175.17 178.98 1mx9 h GLN 4375N 1.22 0.74 -0.40 2.11 4.20 -1.98 -1.06 115.11 119.95 1mx9 h GLN 4375Ca -0.50 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.04 1mx9 h GLN 4375Cb 1.24 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 1mx9 h GLN 4375CO 0.60 0.49 -0.25 -0.22 -0.67 0.00 0.00 178.83 178.78 1mx9 h LYS 4376N 0.77 0.87 0.17 1.46 3.64 -1.99 -0.28 116.57 121.21 1mx9 h LYS 4376Ca 0.48 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1mx9 h LYS 4376Cb 0.72 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1mx9 h LYS 4376CO -0.25 1.05 -0.08 1.15 -2.27 0.00 0.00 179.45 179.05 1mx9 h THR 4377N 0.68 0.94 -0.50 1.00 2.02 -1.86 -2.53 112.91 112.66 1mx9 h THR 4377Ca 0.08 -0.57 0.10 0.00 0.77 0.00 0.00 66.41 66.79 1mx9 h THR 4377Cb 0.82 1.28 -0.09 0.00 -1.74 0.00 0.00 68.15 68.42 1mx9 h THR 4377CO 0.07 0.13 -0.08 0.00 0.37 0.00 0.00 175.52 176.01 1mx9 h ALA 4378N 0.25 0.39 -0.20 6.16 0.00 -1.20 0.80 119.26 125.46 1mx9 h ALA 4378Ca -0.02 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1mx9 h ALA 4378Cb 0.39 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1mx9 h ALA 4378CO 0.04 -0.42 -0.17 0.52 0.00 0.00 0.00 179.25 179.22 1mx9 h MET 4379N 0.04 -0.17 -0.01 0.00 2.07 -0.95 0.51 114.93 116.42 1mx9 h MET 4379Ca 0.25 0.01 -0.06 0.00 -2.07 0.00 0.00 59.70 57.83 1mx9 h MET 4379Cb 0.38 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 1mx9 h MET 4379CO -0.48 -0.11 -0.26 0.66 1.07 0.00 0.00 176.91 177.79 1mx9 h SER 4380N -0.17 0.02 0.36 1.22 4.64 -0.88 -0.53 113.55 118.21 1mx9 h SER 4380Ca 0.12 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.22 1mx9 h SER 4380Cb 0.36 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1mx9 h SER 4380CO -0.31 0.29 -0.92 -0.07 -0.87 0.00 0.00 176.83 174.94 1mx9 h LEU 4381N 0.02 0.49 -1.01 5.97 3.38 0.28 -2.00 115.31 122.44 1mx9 h LEU 4381Ca 0.00 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1mx9 h LEU 4381Cb 0.48 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1mx9 h LEU 4381CO 0.03 1.19 -0.43 0.25 0.09 0.00 0.00 178.44 179.57 1mx9 h LEU 4382N 0.22 0.00 0.07 1.67 5.85 0.44 -2.36 115.31 121.21 1mx9 h LEU 4382Ca -0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1mx9 h LEU 4382Cb 1.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1mx9 h LEU 4382CO 0.16 0.43 -0.04 -0.25 -0.34 0.00 0.00 178.44 178.41 1mx9 h TRP 4383N 0.00 -0.09 -0.34 1.25 -0.00 -0.98 -3.10 115.95 112.68 1mx9 h TRP 4383Ca -0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 58.89 58.94 1mx9 h TRP 4383Cb 0.87 0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 30.05 1mx9 h TRP 4383CO 0.00 0.26 0.24 0.87 -0.00 0.00 0.00 178.44 179.81 1mx9 h LYS 4384N -0.46 0.20 -0.93 2.65 1.79 -1.20 -1.32 116.57 117.31 1mx9 h LYS 4384Ca -0.01 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1mx9 h LYS 4384Cb 0.39 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1mx9 h LYS 4384CO 0.02 0.14 0.01 -1.13 -1.08 0.00 0.00 179.45 177.41 1mx9 n SER 4385N -4.48 2.04 -0.34 0.86 3.41 -0.90 -4.38 113.62 109.83 1mx9 n SER 4385Ca 0.04 -2.19 0.17 0.00 -0.26 0.00 0.00 58.87 56.63 1mx9 n SER 4385Cb 0.27 -0.54 0.39 0.00 -0.26 0.00 0.00 64.21 64.07 1mx9 n SER 4385CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1mx9 h TYR 4386N 0.70 0.98 0.00 7.33 3.20 -1.31 0.31 116.97 128.18 1mx9 h TYR 4386Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1mx9 h TYR 4386Cb 0.85 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1mx9 h TYR 4386CO 0.22 0.10 0.00 -1.00 -1.64 0.00 0.00 178.16 175.84 1mx9 h PRO 4387N 0.59 0.00 0.00 1.82 0.13 -1.76 0.27 132.00 133.05 1mx9 h PRO 4387Ca 0.63 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 65.39 1mx9 h PRO 4387Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1mx9 h PRO 4387CO -0.43 0.00 -2.37 1.28 -0.23 0.00 0.00 178.00 176.24 1mx9 n LEU 4388N -2.29 2.95 -0.00 1.56 4.77 0.10 -4.43 117.00 119.65 1mx9 n LEU 4388Ca 0.00 -0.13 0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1mx9 n LEU 4388Cb 0.12 -0.83 -0.12 0.00 -2.33 0.00 0.00 43.42 40.26 1mx9 n LEU 4388CO 0.14 0.90 -0.42 1.33 -1.33 0.00 0.00 177.39 178.02 1mx9 n VAL 4389N -3.20 0.00 -4.10 4.08 0.24 -0.79 -4.35 118.33 110.21 1mx9 n VAL 4389Ca -0.43 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 61.30 1mx9 n VAL 4389Cb 0.96 0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 1mx9 n VAL 4389CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mx9 s ILE 4391N -3.74 5.20 0.49 0.00 1.01 -1.26 -5.05 121.20 117.85 1mx9 s ILE 4391Ca 0.30 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.78 1mx9 s ILE 4391Cb -0.16 -4.12 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 1mx9 s ILE 4391CO 0.92 -0.57 0.73 0.00 0.00 0.00 0.00 174.94 176.01 1mx9 n ALA 4392N 5.29 -0.68 -0.33 9.38 0.00 -1.26 -4.68 120.51 128.23 1mx9 n ALA 4392Ca -0.12 0.10 0.25 0.00 0.00 0.00 0.00 53.44 53.67 1mx9 n ALA 4392Cb 0.44 -1.92 0.54 0.00 0.00 0.00 0.00 19.45 18.50 1mx9 n ALA 4392CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1mx9 h LYS 4393N 0.78 0.33 -0.65 0.00 1.63 -1.97 -0.95 116.57 115.74 1mx9 h LYS 4393Ca -0.44 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.30 1mx9 h LYS 4393Cb 1.38 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.90 1mx9 h LYS 4393CO 0.51 0.22 0.25 0.93 -3.45 0.00 0.00 179.45 177.91 1mx9 h GLU 4394N 0.34 0.96 0.00 1.90 3.07 -2.04 -2.87 114.58 115.93 1mx9 h GLU 4394Ca 0.61 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1mx9 h GLU 4394Cb 1.64 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 1mx9 h GLU 4394CO -0.29 0.79 -0.55 1.28 -1.40 0.00 0.00 179.01 178.83 1mx9 n LEU 4395N -4.30 0.58 -0.29 1.33 4.77 -0.39 -4.23 117.00 114.47 1mx9 n LEU 4395Ca 0.06 0.15 0.11 0.00 -0.03 0.00 0.00 56.01 56.30 1mx9 n LEU 4395Cb 0.18 -0.22 0.27 0.00 -2.33 0.00 0.00 43.42 41.32 1mx9 n LEU 4395CO 0.40 0.02 1.01 0.40 -1.33 0.00 0.00 177.39 177.89 1mx9 h ILE 4396N 0.00 0.48 0.28 -0.08 1.08 -1.24 0.93 117.51 118.96 1mx9 h ILE 4396Ca 0.00 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1mx9 h ILE 4396Cb 0.64 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 1mx9 h ILE 4396CO 0.00 0.07 -0.13 -0.65 -0.69 0.00 0.00 178.15 176.74 1mx9 h PRO 4397N 0.36 -0.36 -0.77 2.37 0.11 -1.76 -1.38 132.00 130.58 1mx9 h PRO 4397Ca 0.52 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.70 1mx9 h PRO 4397Cb 0.96 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 1mx9 h PRO 4397CO -0.53 -0.05 0.48 1.49 -0.21 0.00 0.00 178.00 179.18 1mx9 h GLU 4398N -0.71 0.88 0.47 1.05 4.81 -1.71 -1.09 114.58 118.28 1mx9 h GLU 4398Ca -0.04 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1mx9 h GLU 4398Cb 0.48 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1mx9 h GLU 4398CO 0.06 0.58 -0.38 0.00 -0.73 0.00 0.00 179.01 178.54 1mx9 h ALA 4399N 1.35 -0.88 -0.60 2.92 0.00 -0.82 0.11 119.26 121.33 1mx9 h ALA 4399Ca 0.32 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1mx9 h ALA 4399Cb 0.08 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1mx9 h ALA 4399CO -0.14 -1.03 0.29 1.15 0.00 0.00 0.00 179.25 179.52 1mx9 h THR 4400N -0.84 0.89 -0.64 0.00 2.02 -1.05 -2.47 112.91 110.82 1mx9 h THR 4400Ca -0.05 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 1mx9 h THR 4400Cb 0.73 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1mx9 h THR 4400CO -0.01 0.10 0.08 -0.08 0.37 0.00 0.00 175.52 175.97 1mx9 h GLU 4401N 0.53 1.07 -0.52 6.66 4.57 -1.03 0.31 114.58 126.17 1mx9 h GLU 4401Ca 0.28 -0.30 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1mx9 h GLU 4401Cb 0.24 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1mx9 h GLU 4401CO -0.22 1.00 0.35 -0.22 -1.18 0.00 0.00 179.01 178.75 1mx9 h LYS 4402N 1.00 0.31 0.00 1.92 1.63 -0.31 -2.05 116.57 119.07 1mx9 h LYS 4402Ca 0.19 -0.02 -0.43 0.00 -0.85 0.00 0.00 60.65 59.55 1mx9 h LYS 4402Cb 0.47 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.96 1mx9 h LYS 4402CO 0.02 0.21 -2.32 0.66 -3.45 0.00 0.00 179.45 174.56 1mx9 n TYR 4403N -4.46 0.19 0.07 1.91 4.02 -1.02 -4.75 117.16 113.11 1mx9 n TYR 4403Ca 0.08 0.08 -0.15 0.00 -0.01 0.00 0.00 57.90 57.90 1mx9 n TYR 4403Cb 0.36 -1.02 -0.14 0.00 -0.02 0.00 0.00 39.34 38.52 1mx9 n TYR 4403CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1mx9 h LEU 4404N -0.97 0.34 0.00 7.72 3.38 -0.44 -3.34 115.31 122.01 1mx9 h LEU 4404Ca -0.64 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 56.88 1mx9 h LEU 4404Cb 1.57 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1mx9 h LEU 4404CO -0.38 1.37 0.14 0.61 0.09 0.00 0.00 178.44 180.26 1mx9 n GLY 4405N 1.60 -0.25 0.32 0.83 0.00 -0.77 -2.62 105.19 104.30 1mx9 n GLY 4405Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 1mx9 n GLY 4405CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mx9 h GLY 4406N 0.00 -0.80 -1.13 -0.02 0.00 -1.77 -3.46 103.07 95.88 1mx9 h GLY 4406Ca 0.00 0.30 -0.57 0.00 0.00 0.00 0.00 47.33 47.06 1mx9 h GLY 4406CO 0.00 -0.29 -0.22 -1.30 0.00 0.00 0.00 176.54 174.73 1mx9 n THR 4407N -5.38 0.00 0.00 4.70 -2.24 -1.08 -5.02 114.28 105.26 1mx9 n THR 4407Ca -0.12 -2.17 0.01 0.00 -2.27 0.00 0.00 64.05 59.49 1mx9 n THR 4407Cb 0.33 -0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.42 1mx9 n THR 4407CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1mx9 n ASP 4408N -1.97 1.75 -4.50 3.42 8.00 -1.26 -4.97 116.55 117.03 1mx9 n ASP 4408Ca 0.03 -1.67 -0.42 0.00 0.71 0.00 0.00 54.79 53.44 1mx9 n ASP 4408Cb 0.64 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 1mx9 n ASP 4408CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mx9 s ASP 4409N -0.69 6.19 0.43 -2.24 -1.08 -1.26 -4.91 116.67 113.12 1mx9 s ASP 4409Ca 0.02 -0.82 0.30 0.00 -0.52 0.00 0.00 52.55 51.53 1mx9 s ASP 4409Cb 0.01 -2.48 1.46 0.00 -1.46 0.00 0.00 42.92 40.45 1mx9 s ASP 4409CO 0.02 -1.60 1.59 0.71 0.52 0.00 0.00 175.17 176.41 1mx9 h THR 4410N 6.02 0.04 0.18 1.71 1.35 -1.93 0.40 112.91 120.67 1mx9 h THR 4410Ca -0.25 -0.01 -0.29 0.00 -0.55 0.00 0.00 66.41 65.31 1mx9 h THR 4410Cb 1.06 0.01 0.03 0.00 -1.73 0.00 0.00 68.15 67.52 1mx9 h THR 4410CO 1.23 0.00 -1.23 0.58 -0.25 0.00 0.00 175.52 175.85 1mx9 h VAL 4411N 0.03 1.34 0.00 6.82 2.07 -1.85 0.19 116.25 124.84 1mx9 h VAL 4411Ca 0.86 -2.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.79 1mx9 h VAL 4411Cb 2.70 2.96 -0.00 0.00 -1.52 0.00 0.00 31.29 35.42 1mx9 h VAL 4411CO -0.50 0.76 -0.12 0.11 0.02 0.00 0.00 177.57 177.84 1mx9 h LYS 4412N 0.06 0.00 -0.06 1.57 1.57 -0.62 -2.40 116.57 116.69 1mx9 h LYS 4412Ca -0.21 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1mx9 h LYS 4412Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1mx9 h LYS 4412CO 0.23 0.12 -0.11 0.87 -0.57 0.00 0.00 179.45 179.99 1mx9 h LYS 4413N 0.00 0.19 -0.16 3.15 1.57 -1.17 -0.68 116.57 119.47 1mx9 h LYS 4413Ca -0.00 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1mx9 h LYS 4413Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1mx9 h LYS 4413CO 0.02 0.69 0.17 -0.22 -0.57 0.00 0.00 179.45 179.54 1mx9 h LYS 4414N -0.30 0.00 0.02 3.15 3.64 -1.36 0.54 116.57 122.27 1mx9 h LYS 4414Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1mx9 h LYS 4414Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1mx9 h LYS 4414CO 0.03 0.00 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.75 1mx9 h ASP 4415N 0.00 -0.03 -0.89 4.20 3.32 -1.21 -3.26 116.42 118.54 1mx9 h ASP 4415Ca 0.08 -0.53 0.16 0.00 0.02 0.00 0.00 57.03 56.76 1mx9 h ASP 4415Cb 0.42 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.88 1mx9 h ASP 4415CO -0.00 0.72 0.49 -0.07 -1.72 0.00 0.00 179.24 178.65 1mx9 h LEU 4416N -0.98 0.61 -2.04 1.55 3.38 -0.11 0.35 115.31 118.08 1mx9 h LEU 4416Ca -0.00 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.16 1mx9 h LEU 4416Cb 0.55 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1mx9 h LEU 4416CO 0.01 0.25 0.38 0.15 0.09 0.00 0.00 178.44 179.31 1mx9 h PHE 4417N 0.68 0.00 0.08 1.13 3.57 -0.04 0.20 116.94 122.55 1mx9 h PHE 4417Ca 0.49 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.70 1mx9 h PHE 4417Cb 0.70 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1mx9 h PHE 4417CO -0.07 0.00 -1.56 -0.07 -2.23 0.00 0.00 178.31 174.38 1mx9 h LEU 4418N 0.00 0.26 -1.13 0.59 3.38 -0.35 -2.76 115.31 115.29 1mx9 h LEU 4418Ca 0.17 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1mx9 h LEU 4418Cb 0.93 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1mx9 h LEU 4418CO -0.00 1.34 0.40 0.44 0.09 0.00 0.00 178.44 180.70 1mx9 h ASP 4419N 0.04 0.89 0.15 -0.43 3.32 -0.18 0.49 116.42 120.71 1mx9 h ASP 4419Ca -0.24 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1mx9 h ASP 4419Cb 1.99 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 41.31 1mx9 h ASP 4419CO 0.13 0.72 -0.15 0.25 -1.72 0.00 0.00 179.24 178.47 1mx9 h LEU 4420N 1.01 -0.41 -1.92 1.55 7.12 -1.05 0.52 115.31 122.13 1mx9 h LEU 4420Ca 0.26 0.03 0.17 0.00 0.13 0.00 0.00 57.88 58.47 1mx9 h LEU 4420Cb 0.02 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.26 1mx9 h LEU 4420CO -0.04 -0.20 0.44 0.40 -0.13 0.00 0.00 178.44 178.91 1mx9 h ILE 4421N -0.30 0.72 0.02 4.05 2.04 -1.21 -1.75 117.51 121.09 1mx9 h ILE 4421Ca -0.02 -0.03 -0.22 0.00 1.00 0.00 0.00 64.86 65.59 1mx9 h ILE 4421Cb 0.26 0.63 0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1mx9 h ILE 4421CO -0.02 0.02 -0.87 0.00 0.00 0.00 0.00 178.15 177.28 1mx9 h ALA 4422N 1.69 0.08 -1.00 1.87 0.00 -0.45 -2.87 119.26 118.59 1mx9 h ALA 4422Ca 0.30 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1mx9 h ALA 4422Cb 1.07 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1mx9 h ALA 4422CO -0.03 0.53 0.66 -0.44 0.00 0.00 0.00 179.25 179.97 1mx9 h ASP 4423N 0.14 1.10 0.02 0.00 3.32 0.90 -1.12 116.42 120.78 1mx9 h ASP 4423Ca -0.11 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.77 1mx9 h ASP 4423Cb 1.56 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1mx9 h ASP 4423CO 0.17 0.76 -0.52 0.58 -1.72 0.00 0.00 179.24 178.51 1mx9 h VAL 4424N 1.28 1.32 0.12 -1.35 2.07 -1.50 0.59 116.25 118.78 1mx9 h VAL 4424Ca 0.40 -1.76 -0.33 0.00 0.82 0.00 0.00 66.70 65.83 1mx9 h VAL 4424Cb -0.02 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1mx9 h VAL 4424CO -0.12 0.55 -1.73 0.24 0.02 0.00 0.00 177.57 176.53 1mx9 h MET 4425N 0.43 0.25 0.00 1.57 2.86 -1.26 -3.41 114.93 115.36 1mx9 h MET 4425Ca 0.01 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1mx9 h MET 4425Cb 1.05 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1mx9 h MET 4425CO 0.10 1.09 -0.08 1.19 1.06 0.00 0.00 176.91 180.27 1mx9 n PHE 4426N -3.43 -0.41 -0.01 -0.22 3.01 -0.45 -4.57 117.46 111.39 1mx9 n PHE 4426Ca -0.22 0.07 -0.00 0.00 1.01 0.00 0.00 57.45 58.31 1mx9 n PHE 4426Cb 1.05 0.10 -0.00 0.00 -0.01 0.00 0.00 39.48 40.62 1mx9 n PHE 4426CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1mx9 h GLY 4427N 0.00 -2.30 0.51 1.37 0.00 -1.49 0.22 103.07 101.37 1mx9 h GLY 4427Ca 0.00 1.00 -0.02 0.00 0.00 0.00 0.00 47.33 48.31 1mx9 h GLY 4427CO 0.00 -0.87 -0.48 -2.08 0.00 0.00 0.00 176.54 173.11 1mx9 h VAL 4428N -0.01 0.00 -0.65 4.60 2.07 -0.07 -1.46 116.25 120.73 1mx9 h VAL 4428Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1mx9 h VAL 4428Cb 0.01 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.67 1mx9 h VAL 4428CO -0.02 0.00 -0.07 -0.65 0.02 0.00 0.00 177.57 176.85 1mx9 h PRO 4429N -0.98 0.06 -0.58 1.57 0.11 -1.72 -1.17 132.00 129.30 1mx9 h PRO 4429Ca -0.07 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.11 1mx9 h PRO 4429Cb 0.84 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.88 1mx9 h PRO 4429CO -0.04 0.04 0.27 0.77 -0.21 0.00 0.00 178.00 178.83 1mx9 h SER 4430N 0.06 0.36 0.02 -2.05 0.02 -0.32 -0.04 113.55 111.60 1mx9 h SER 4430Ca 0.33 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1mx9 h SER 4430Cb 0.54 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1mx9 h SER 4430CO -0.61 0.23 -0.01 0.58 -1.14 0.00 0.00 176.83 175.88 1mx9 h VAL 4431N 0.51 1.03 0.31 2.27 2.07 -0.14 0.04 116.25 122.33 1mx9 h VAL 4431Ca 0.27 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1mx9 h VAL 4431Cb 0.24 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1mx9 h VAL 4431CO -0.22 0.04 -0.36 0.40 0.02 0.00 0.00 177.57 177.45 1mx9 h ILE 4432N -0.09 0.26 -0.62 4.57 2.04 -1.01 0.75 117.51 123.40 1mx9 h ILE 4432Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1mx9 h ILE 4432Cb 0.08 0.26 -0.12 0.00 -0.74 0.00 0.00 36.82 36.30 1mx9 h ILE 4432CO 0.00 0.00 -0.22 0.58 0.00 0.00 0.00 178.15 178.51 1mx9 h VAL 4433N -0.71 0.29 -0.82 1.67 2.07 -0.88 0.27 116.25 118.13 1mx9 h VAL 4433Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1mx9 h VAL 4433Cb 0.66 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1mx9 h VAL 4433CO -0.10 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.03 1mx9 h ALA 4434N 1.42 1.04 -0.48 1.67 0.00 -0.08 -2.41 119.26 120.42 1mx9 h ALA 4434Ca 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1mx9 h ALA 4434Cb 0.51 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1mx9 h ALA 4434CO -0.67 0.42 0.27 0.00 0.00 0.00 0.00 179.25 179.27 1mx9 h ARG 4435N 1.09 0.66 0.00 0.00 3.08 0.39 -1.70 114.38 117.89 1mx9 h ARG 4435Ca 0.30 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 1mx9 h ARG 4435Cb -0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 1mx9 h ARG 4435CO -0.08 0.51 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.20 1mx9 h ASN 4436N 0.63 0.00 -0.27 7.04 4.21 -0.75 0.97 115.58 127.40 1mx9 h ASN 4436Ca 0.17 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.49 1mx9 h ASN 4436Cb 0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 1mx9 h ASN 4436CO -0.03 0.22 -0.56 -0.74 -1.29 0.00 0.00 177.43 175.03 1mx9 h HIS 4437N 0.00 1.10 -0.01 1.19 2.76 -0.94 -2.22 115.15 117.03 1mx9 h HIS 4437Ca -0.00 -0.40 -0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1mx9 h HIS 4437Cb 0.44 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1mx9 h HIS 4437CO 0.00 1.23 0.01 -0.09 -1.30 0.00 0.00 177.93 177.77 1mx9 h ARG 4438N 0.67 0.02 0.00 5.26 2.43 -0.55 -2.71 114.38 119.50 1mx9 h ARG 4438Ca 0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1mx9 h ARG 4438Cb 1.17 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1mx9 h ARG 4438CO 0.12 0.16 0.00 -0.25 -1.51 0.00 0.00 179.97 178.49 1mx9 n ASP 4439N -5.01 0.00 -0.70 -3.80 8.00 0.26 -2.24 116.55 113.06 1mx9 n ASP 4439Ca -0.07 0.26 0.10 0.00 0.71 0.00 0.00 54.79 55.79 1mx9 n ASP 4439Cb 0.10 -0.36 0.05 0.00 -0.02 0.00 0.00 41.12 40.89 1mx9 n ASP 4439CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mx9 n ALA 4440N -1.36 2.82 0.00 2.24 0.00 -0.84 -5.00 120.51 118.37 1mx9 n ALA 4440Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1mx9 n ALA 4440Cb 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1mx9 n ALA 4440CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx9 n GLY 4441N 1.24 2.08 3.78 0.00 0.00 -0.95 -4.96 105.19 106.38 1mx9 n GLY 4441Ca 0.11 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1mx9 n GLY 4441CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 4442N -1.16 2.71 0.04 4.61 0.00 -1.20 -4.97 121.76 121.79 1mx9 s ALA 4442Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 1mx9 s ALA 4442Cb 0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 1mx9 s ALA 4442CO 0.00 -0.74 1.59 -2.14 0.00 0.00 0.00 175.76 174.48 1mx9 s PRO 4443N -3.30 4.22 0.08 0.00 0.02 -1.26 -4.32 135.00 130.43 1mx9 s PRO 4443Ca 0.72 2.23 0.09 0.00 0.02 0.00 0.00 61.00 64.06 1mx9 s PRO 4443Cb -0.23 -3.63 -0.03 0.00 0.02 0.00 0.00 34.50 30.63 1mx9 s PRO 4443CO 0.27 -0.71 -0.24 0.99 -0.33 0.00 0.00 177.00 176.98 1mx9 s THR 4444N 2.70 1.98 0.06 0.99 2.01 -1.26 -1.34 115.64 120.77 1mx9 s THR 4444Ca 0.71 -1.47 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1mx9 s THR 4444Cb -0.37 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1mx9 s THR 4444CO 0.31 0.18 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.05 1mx9 s TYR 4445N -0.93 0.65 0.12 4.92 2.02 -0.67 -0.47 117.35 122.99 1mx9 s TYR 4445Ca 0.10 -0.69 -0.05 0.00 -0.37 0.00 0.00 57.07 56.06 1mx9 s TYR 4445Cb -0.10 -0.40 -0.02 0.00 -0.40 0.00 0.00 41.96 41.04 1mx9 s TYR 4445CO 0.03 -0.16 0.14 -1.64 -1.57 0.00 0.00 175.55 172.36 1mx9 s MET 4446N -2.49 0.95 0.07 -0.62 -1.94 -1.26 -1.47 119.30 112.53 1mx9 s MET 4446Ca -0.03 -1.25 -0.26 0.00 -1.71 0.00 0.00 55.69 52.44 1mx9 s MET 4446Cb -0.03 0.30 0.08 0.00 2.01 0.00 0.00 34.83 37.18 1mx9 s MET 4446CO -0.03 -0.30 0.68 1.52 -0.01 0.00 0.00 175.02 176.89 1mx9 s TYR 4447N -3.98 -0.54 -0.10 -0.03 1.13 -1.22 -1.47 117.35 111.14 1mx9 s TYR 4447Ca 0.17 0.54 0.02 0.00 -1.41 0.00 0.00 57.07 56.39 1mx9 s TYR 4447Cb 0.06 0.51 0.01 0.00 -1.10 0.00 0.00 41.96 41.44 1mx9 s TYR 4447CO -0.02 -0.72 -0.17 -2.00 -2.51 0.00 0.00 175.55 170.13 1mx9 s GLU 4448N -2.84 2.37 -0.04 -3.49 2.12 0.07 -2.39 118.70 114.50 1mx9 s GLU 4448Ca -0.02 -0.63 -0.16 0.00 0.36 0.00 0.00 54.97 54.52 1mx9 s GLU 4448Cb -0.01 -1.94 -0.05 0.00 0.26 0.00 0.00 34.13 32.39 1mx9 s GLU 4448CO -0.06 0.01 0.44 0.12 -0.54 0.00 0.00 175.26 175.24 1mx9 s PHE 4449N 0.77 3.65 -0.43 5.30 5.36 0.69 -0.54 117.98 132.79 1mx9 s PHE 4449Ca -0.11 0.97 0.06 0.00 -0.96 0.00 0.00 56.93 56.90 1mx9 s PHE 4449Cb -0.16 -2.40 0.22 0.00 -0.34 0.00 0.00 43.02 40.34 1mx9 s PHE 4449CO 0.02 0.46 0.56 0.94 -1.46 0.00 0.00 175.22 175.73 1mx9 n GLN 4450N 2.53 0.54 -3.84 10.12 7.27 0.19 0.27 117.38 134.46 1mx9 n GLN 4450Ca -0.11 -2.80 -0.10 0.00 0.07 0.00 0.00 57.00 54.06 1mx9 n GLN 4450Cb 0.52 -1.42 -0.08 0.00 2.41 0.00 0.00 30.24 31.66 1mx9 n GLN 4450CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1mx9 s TYR 4451N -0.22 0.06 -0.40 3.69 5.04 -1.26 -4.29 117.35 119.96 1mx9 s TYR 4451Ca 0.33 -0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.63 1mx9 s TYR 4451Cb 0.12 -0.02 0.11 0.00 0.35 0.00 0.00 41.96 42.52 1mx9 s TYR 4451CO -0.15 -0.47 0.18 0.50 -1.34 0.00 0.00 175.55 174.27 1mx9 s ARG 4452N -2.86 1.92 0.52 4.97 3.52 -1.26 -1.13 118.95 124.62 1mx9 s ARG 4452Ca -0.03 -1.85 -0.23 0.00 -0.13 0.00 0.00 55.73 53.50 1mx9 s ARG 4452Cb 0.00 -3.52 -0.06 0.00 -1.56 0.00 0.00 34.95 29.81 1mx9 s ARG 4452CO -0.05 -1.05 1.37 -1.25 -0.81 0.00 0.00 175.30 173.50 1mx9 s PRO 4453N 1.07 3.31 0.09 5.12 0.04 -1.26 -4.89 135.00 138.48 1mx9 s PRO 4453Ca 0.09 2.26 0.20 0.00 0.04 0.00 0.00 61.00 63.59 1mx9 s PRO 4453Cb -0.22 -2.37 0.81 0.00 0.04 0.00 0.00 34.50 32.76 1mx9 s PRO 4453CO -0.05 -1.07 1.61 -1.13 0.04 0.00 0.00 177.00 176.40 1mx9 n SER 4454N -0.79 0.25 -1.17 6.66 3.41 -1.26 -2.45 113.62 118.27 1mx9 n SER 4454Ca 0.09 0.55 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 1mx9 n SER 4454Cb 0.44 -0.61 0.25 0.00 -0.26 0.00 0.00 64.21 64.04 1mx9 n SER 4454CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mx9 n PHE 4455N -1.77 1.01 -1.62 7.33 3.01 -1.26 -4.94 117.46 119.21 1mx9 n PHE 4455Ca 0.04 -0.42 -0.33 0.00 1.01 0.00 0.00 57.45 57.75 1mx9 n PHE 4455Cb 0.22 -0.15 0.06 0.00 -0.01 0.00 0.00 39.48 39.61 1mx9 n PHE 4455CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1mx9 s SER 4456N -0.83 4.80 0.76 4.37 0.01 -1.02 -4.96 113.70 116.83 1mx9 s SER 4456Ca 0.37 2.07 -0.15 0.00 1.31 0.00 0.00 55.95 59.54 1mx9 s SER 4456Cb 0.23 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1mx9 s SER 4456CO 0.19 -1.84 0.74 -0.24 0.41 0.00 0.00 173.24 172.50 1mx9 n SER 4457N -2.61 -0.49 0.15 2.44 2.88 -1.26 -4.88 113.62 109.84 1mx9 n SER 4457Ca 0.11 0.58 0.01 0.00 -1.33 0.00 0.00 58.87 58.24 1mx9 n SER 4457Cb 0.52 -1.31 0.18 0.00 -0.75 0.00 0.00 64.21 62.85 1mx9 n SER 4457CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1mx9 h ASP 4458N -0.56 0.00 0.43 -3.46 3.32 -1.98 -3.10 116.42 111.08 1mx9 h ASP 4458Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1mx9 h ASP 4458Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1mx9 h ASP 4458CO 0.43 0.57 0.00 0.23 -1.72 0.00 0.00 179.24 178.75 1mx9 n MET 4459N -3.60 0.40 -3.21 3.56 2.81 -1.26 -4.70 117.12 111.11 1mx9 n MET 4459Ca -0.00 0.04 -0.41 0.00 -1.81 0.00 0.00 57.70 55.52 1mx9 n MET 4459Cb 0.63 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.56 1mx9 n MET 4459CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mx9 s LYS 4460N -2.52 3.85 0.87 0.03 2.20 -1.17 -5.05 119.74 117.95 1mx9 s LYS 4460Ca 0.25 0.11 -0.14 0.00 -0.36 0.00 0.00 55.97 55.84 1mx9 s LYS 4460Cb 0.17 -3.73 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1mx9 s LYS 4460CO 0.37 -0.52 0.49 -0.35 -0.36 0.00 0.00 175.35 174.98 1mx9 n PRO 4461N 5.70 -0.07 0.19 4.03 -0.04 -1.26 -4.87 135.00 138.68 1mx9 n PRO 4461Ca -0.04 0.03 0.14 0.00 -0.04 0.00 0.00 63.50 63.59 1mx9 n PRO 4461Cb 0.49 -1.88 0.49 0.00 -0.04 0.00 0.00 33.50 32.56 1mx9 n PRO 4461CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1mx9 h LYS 4462N -1.15 0.00 0.00 0.54 1.57 -1.96 -3.16 116.57 112.41 1mx9 h LYS 4462Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1mx9 h LYS 4462Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1mx9 h LYS 4462CO 0.37 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 181.04 1mx9 h THR 4463N 0.00 0.00 -2.84 -0.16 1.35 -2.05 -3.43 112.91 105.78 1mx9 h THR 4463Ca 0.00 -0.69 -0.56 0.00 -0.55 0.00 0.00 66.41 64.61 1mx9 h THR 4463Cb 0.59 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.64 1mx9 h THR 4463CO 0.00 0.00 0.94 -0.69 -0.25 0.00 0.00 175.52 175.52 1mx9 s VAL 4464N -3.29 4.10 -0.10 6.82 1.01 -1.20 -4.99 120.40 122.76 1mx9 s VAL 4464Ca 0.06 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.40 1mx9 s VAL 4464Cb 0.08 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1mx9 s VAL 4464CO 0.60 -0.11 -0.15 -0.63 0.00 0.00 0.00 175.10 174.80 1mx9 s ILE 4465N 3.58 1.44 -0.63 2.22 1.01 -1.26 -4.76 121.20 122.80 1mx9 s ILE 4465Ca 0.59 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 1mx9 s ILE 4465Cb -0.25 -1.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 1mx9 s ILE 4465CO 0.19 0.43 0.52 0.61 0.00 0.00 0.00 174.94 176.69 1mx9 n GLY 4466N 4.05 0.01 3.80 6.18 0.00 -0.28 -3.68 105.19 115.27 1mx9 n GLY 4466Ca -0.20 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1mx9 n GLY 4466CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 4467N -3.70 4.88 -0.29 1.61 2.15 -1.23 0.05 116.67 120.14 1mx9 s ASP 4467Ca 0.01 1.61 -0.40 0.00 0.43 0.00 0.00 52.55 54.20 1mx9 s ASP 4467Cb -0.00 -2.41 -0.15 0.00 -0.30 0.00 0.00 42.92 40.06 1mx9 s ASP 4467CO 0.38 -1.76 1.81 1.57 -0.17 0.00 0.00 175.17 177.00 1mx9 n HIS 4468N -3.33 2.00 -0.98 -5.34 -0.00 -0.78 -1.63 115.22 105.16 1mx9 n HIS 4468Ca 0.08 0.50 0.00 0.00 -0.00 0.00 0.00 57.72 58.30 1mx9 n HIS 4468Cb 0.54 -2.47 0.00 0.00 -0.00 0.00 0.00 29.99 28.06 1mx9 n HIS 4468CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mx9 n GLY 4469N 4.54 0.48 0.02 1.57 0.00 -1.26 -4.90 105.19 105.65 1mx9 n GLY 4469Ca 0.29 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.52 1mx9 n GLY 4469CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mx9 n ASP 4470N 1.72 0.26 0.08 1.61 9.92 -0.64 -3.40 116.55 126.11 1mx9 n ASP 4470Ca 0.00 0.04 0.13 0.00 -0.53 0.00 0.00 54.79 54.43 1mx9 n ASP 4470Cb 0.06 -0.15 0.37 0.00 -0.64 0.00 0.00 41.12 40.76 1mx9 n ASP 4470CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1mx9 n GLU 4471N -1.41 0.24 -0.21 -1.24 0.00 -1.26 -3.80 120.64 112.95 1mx9 n GLU 4471Ca 0.08 0.17 -0.02 0.00 0.00 0.00 0.00 57.16 57.38 1mx9 n GLU 4471Cb 0.33 -1.75 0.17 0.00 0.00 0.00 0.00 31.44 30.19 1mx9 n GLU 4471CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1mx9 h LEU 4472N 0.00 0.91 -1.16 -1.84 3.38 -1.97 -1.68 115.31 112.94 1mx9 h LEU 4472Ca 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1mx9 h LEU 4472Cb 0.71 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1mx9 h LEU 4472CO 0.00 0.77 0.27 -0.26 0.09 0.00 0.00 178.44 179.31 1mx9 h PHE 4473N 1.00 0.85 0.11 1.13 -1.00 -1.82 -0.57 116.94 116.64 1mx9 h PHE 4473Ca 0.24 -0.03 -0.19 0.00 2.81 0.00 0.00 57.97 60.80 1mx9 h PHE 4473Cb 0.11 -0.27 0.02 0.00 3.61 0.00 0.00 35.95 39.42 1mx9 h PHE 4473CO 0.01 0.64 -0.80 0.77 -1.61 0.00 0.00 178.31 177.31 1mx9 h SER 4474N 0.85 0.51 -0.46 2.17 0.02 -1.72 0.44 113.55 115.36 1mx9 h SER 4474Ca 0.21 -0.90 0.05 0.00 -0.84 0.00 0.00 61.79 60.30 1mx9 h SER 4474Cb 0.12 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1mx9 h SER 4474CO -0.02 1.37 0.31 0.58 -1.14 0.00 0.00 176.83 177.92 1mx9 h VAL 4475N -0.27 1.00 -0.47 2.27 2.07 -1.14 -2.44 116.25 117.28 1mx9 h VAL 4475Ca -0.13 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1mx9 h VAL 4475Cb 1.59 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1mx9 h VAL 4475CO 0.15 0.08 0.00 0.49 0.02 0.00 0.00 177.57 178.31 1mx9 n PHE 4476N -4.48 1.07 -3.79 1.57 3.01 -0.24 -4.74 117.46 109.86 1mx9 n PHE 4476Ca 0.06 -0.65 -0.27 0.00 1.01 0.00 0.00 57.45 57.60 1mx9 n PHE 4476Cb 0.21 -0.20 0.04 0.00 -0.01 0.00 0.00 39.48 39.52 1mx9 n PHE 4476CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 4477N 0.53 -0.47 0.37 1.37 0.00 -0.92 -4.46 105.19 101.61 1mx9 n GLY 4477Ca 0.21 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.55 1mx9 n GLY 4477CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 h ALA 4478N 0.96 2.00 0.00 4.61 0.00 -0.40 -0.42 119.26 126.01 1mx9 h ALA 4478Ca -0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1mx9 h ALA 4478Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1mx9 h ALA 4478CO 0.62 -0.17 0.00 -2.30 0.00 0.00 0.00 179.25 177.40 1mx9 n PRO 4479N -4.48 0.18 -0.08 0.00 -0.02 -1.26 -0.99 135.00 128.35 1mx9 n PRO 4479Ca 0.13 0.14 0.05 0.00 -2.02 0.00 0.00 63.50 61.79 1mx9 n PRO 4479Cb 0.43 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.50 1mx9 n PRO 4479CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1mx9 n PHE 4480N -1.20 0.20 0.00 6.00 3.01 -0.17 -4.61 117.46 120.69 1mx9 n PHE 4480Ca 0.05 -0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.25 1mx9 n PHE 4480Cb 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1mx9 n PHE 4480CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mx9 n LEU 4481N 0.43 0.00 -4.92 4.37 4.77 -0.57 -5.00 117.00 116.07 1mx9 n LEU 4481Ca 0.08 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 1mx9 n LEU 4481Cb 0.32 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1mx9 n LEU 4481CO 0.06 0.00 0.10 -0.54 -1.33 0.00 0.00 177.39 175.68 1mx9 s LYS 4482N -1.15 2.39 0.16 3.23 1.02 -0.16 -4.00 119.74 121.23 1mx9 s LYS 4482Ca 0.00 -1.73 -0.01 0.00 0.02 0.00 0.00 55.97 54.25 1mx9 s LYS 4482Cb 0.00 -2.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1mx9 s LYS 4482CO 0.00 -0.50 0.34 -1.21 -0.92 0.00 0.00 175.35 173.07 1mx9 s GLU 4483N -4.31 3.52 -0.62 1.68 2.02 -1.26 -4.79 118.70 114.94 1mx9 s GLU 4483Ca 0.46 -0.33 -0.09 0.00 0.02 0.00 0.00 54.97 55.03 1mx9 s GLU 4483Cb -0.04 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.32 1mx9 s GLU 4483CO 0.28 0.46 0.65 0.41 0.02 0.00 0.00 175.26 177.09 1mx9 n GLY 4484N -0.32 -1.16 3.56 -1.39 0.00 -1.26 -5.03 105.19 99.59 1mx9 n GLY 4484Ca -0.04 0.82 -0.34 0.00 0.00 0.00 0.00 46.02 46.45 1mx9 n GLY 4484CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 4485N -2.74 3.05 0.45 4.61 0.00 -1.26 -5.01 121.76 120.85 1mx9 s ALA 4485Ca 0.12 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 51.01 1mx9 s ALA 4485Cb -0.03 -1.42 -0.10 0.00 0.00 0.00 0.00 23.12 21.57 1mx9 s ALA 4485CO 0.78 0.42 0.83 0.43 0.00 0.00 0.00 175.76 178.23 1mx9 n SER 4486N 2.78 0.41 -0.09 0.00 7.64 -1.26 -4.74 113.62 118.37 1mx9 n SER 4486Ca -0.18 0.95 0.19 0.00 1.01 0.00 0.00 58.87 60.84 1mx9 n SER 4486Cb 0.53 -1.27 0.61 0.00 -1.01 0.00 0.00 64.21 63.06 1mx9 n SER 4486CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1mx9 h GLU 4487N 1.12 0.18 -0.07 1.43 4.57 -2.00 -0.30 114.58 119.52 1mx9 h GLU 4487Ca -0.44 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 57.69 1mx9 h GLU 4487Cb 1.36 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1mx9 h GLU 4487CO 0.54 0.12 -0.14 1.49 -1.18 0.00 0.00 179.01 179.84 1mx9 h GLU 4488N 0.19 0.21 -0.61 1.92 4.81 -2.00 -2.90 114.58 116.20 1mx9 h GLU 4488Ca 0.32 -0.14 0.15 0.00 -0.13 0.00 0.00 59.36 59.55 1mx9 h GLU 4488Cb 0.98 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1mx9 h GLU 4488CO -0.06 0.73 0.42 1.49 -0.73 0.00 0.00 179.01 180.87 1mx9 h GLU 4489N -0.28 0.17 -0.07 1.92 4.81 -1.40 0.24 114.58 119.97 1mx9 h GLU 4489Ca 0.00 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1mx9 h GLU 4489Cb 0.73 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1mx9 h GLU 4489CO 0.03 0.12 -0.71 0.82 -0.73 0.00 0.00 179.01 178.53 1mx9 h ILE 4490N 0.18 1.39 0.08 2.32 2.04 -1.25 -2.67 117.51 119.59 1mx9 h ILE 4490Ca 0.29 -2.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.01 1mx9 h ILE 4490Cb 0.90 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1mx9 h ILE 4490CO -0.05 0.64 -0.04 -0.09 0.00 0.00 0.00 178.15 178.62 1mx9 h ARG 4491N 0.25 -0.10 -0.80 2.37 2.43 -0.41 -2.32 114.38 115.80 1mx9 h ARG 4491Ca -0.03 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.37 1mx9 h ARG 4491Cb 1.28 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 1mx9 h ARG 4491CO 0.12 0.14 0.57 1.25 -1.51 0.00 0.00 179.97 180.54 1mx9 h LEU 4492N -0.33 0.09 0.20 3.80 5.85 -1.02 -0.53 115.31 123.36 1mx9 h LEU 4492Ca -0.01 0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 1mx9 h LEU 4492Cb 0.29 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.33 1mx9 h LEU 4492CO 0.02 0.04 -1.38 -1.28 -0.34 0.00 0.00 178.44 175.49 1mx9 h SER 4493N 0.09 0.67 -0.93 1.25 0.87 -1.29 -1.89 113.55 112.31 1mx9 h SER 4493Ca 0.39 -0.92 0.08 0.00 -1.23 0.00 0.00 61.79 60.10 1mx9 h SER 4493Cb 1.41 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 63.09 1mx9 h SER 4493CO -0.04 1.65 0.60 0.11 -0.53 0.00 0.00 176.83 178.62 1mx9 h LYS 4494N -0.03 0.99 0.71 2.24 1.57 -0.69 -0.14 116.57 121.23 1mx9 h LYS 4494Ca -0.25 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1mx9 h LYS 4494Cb 1.99 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 34.09 1mx9 h LYS 4494CO 0.21 0.66 -0.34 1.98 -0.57 0.00 0.00 179.45 181.38 1mx9 h MET 4495N 1.02 -0.92 -0.79 3.15 4.05 -1.14 -2.61 114.93 117.69 1mx9 h MET 4495Ca 0.41 0.06 0.11 0.00 -0.28 0.00 0.00 59.70 60.01 1mx9 h MET 4495Cb 0.27 0.21 -0.08 0.00 -0.80 0.00 0.00 31.60 31.20 1mx9 h MET 4495CO -0.17 -0.60 0.42 0.28 0.23 0.00 0.00 176.91 177.07 1mx9 h VAL 4496N -1.21 0.82 -0.79 -5.77 2.07 -0.99 -1.30 116.25 109.08 1mx9 h VAL 4496Ca -0.10 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1mx9 h VAL 4496Cb 0.75 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1mx9 h VAL 4496CO 0.16 0.12 0.31 0.24 0.02 0.00 0.00 177.57 178.42 1mx9 h MET 4497N 0.67 1.20 0.42 1.57 2.07 -1.07 0.38 114.93 120.16 1mx9 h MET 4497Ca 0.40 -0.22 -0.02 0.00 -2.07 0.00 0.00 59.70 57.79 1mx9 h MET 4497Cb 0.47 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 1mx9 h MET 4497CO -0.30 0.97 -0.20 0.87 1.07 0.00 0.00 176.91 179.33 1mx9 h LYS 4498N 1.16 -0.54 -0.47 1.72 1.79 -1.00 0.13 116.57 119.36 1mx9 h LYS 4498Ca 0.26 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.86 1mx9 h LYS 4498Cb 0.23 0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 30.91 1mx9 h LYS 4498CO -0.02 -0.28 -0.29 0.74 -1.08 0.00 0.00 179.45 178.53 1mx9 h PHE 4499N -0.72 -0.77 -0.19 -1.35 0.05 -1.11 1.12 116.94 113.98 1mx9 h PHE 4499Ca -0.06 0.06 0.01 0.00 3.82 0.00 0.00 57.97 61.80 1mx9 h PHE 4499Cb 0.51 0.41 -0.02 0.00 2.00 0.00 0.00 35.95 38.86 1mx9 h PHE 4499CO -0.01 -0.35 0.09 -1.49 -0.18 0.00 0.00 178.31 176.37 1mx9 h TRP 4500N -0.18 0.17 0.00 -0.55 -0.00 -0.79 -1.25 115.95 113.35 1mx9 h TRP 4500Ca 0.21 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 59.08 1mx9 h TRP 4500Cb 0.52 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 29.62 1mx9 h TRP 4500CO -0.54 0.10 -0.13 0.00 -0.00 0.00 0.00 178.44 177.87 1mx9 h ALA 4501N 1.10 0.96 -0.06 1.49 0.00 -0.12 -1.81 119.26 120.83 1mx9 h ALA 4501Ca 0.08 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1mx9 h ALA 4501Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1mx9 h ALA 4501CO -0.05 0.16 -0.63 -0.91 0.00 0.00 0.00 179.25 177.82 1mx9 h ASN 4502N 0.00 0.24 -0.15 0.00 2.35 0.17 -2.10 115.58 116.10 1mx9 h ASN 4502Ca -0.00 -0.14 -0.14 0.00 -0.55 0.00 0.00 56.30 55.46 1mx9 h ASN 4502Cb 0.84 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1mx9 h ASN 4502CO 0.02 0.81 -0.46 0.15 -1.65 0.00 0.00 177.43 176.30 1mx9 h PHE 4503N 0.15 0.75 -0.31 1.19 3.57 -0.85 -2.61 116.94 118.83 1mx9 h PHE 4503Ca -0.01 -0.30 0.09 0.00 3.53 0.00 0.00 57.97 61.28 1mx9 h PHE 4503Cb 1.14 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1mx9 h PHE 4503CO 0.02 1.07 0.24 0.00 -2.23 0.00 0.00 178.31 177.41 1mx9 h ALA 4504N 0.53 2.20 0.05 2.41 0.00 -1.12 0.24 119.26 123.58 1mx9 h ALA 4504Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1mx9 h ALA 4504Cb 1.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1mx9 h ALA 4504CO 0.10 -0.40 -0.46 0.00 0.00 0.00 0.00 179.25 178.48 1mx9 h ARG 4505N 0.00 0.10 0.00 0.00 3.08 -1.23 -3.43 114.38 112.89 1mx9 h ARG 4505Ca 0.15 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1mx9 h ARG 4505Cb 0.63 0.06 -0.17 0.00 0.08 0.00 0.00 29.97 30.57 1mx9 h ARG 4505CO -0.00 1.08 -0.70 0.09 -1.07 0.00 0.00 179.97 179.37 1mx9 n ASN 4506N -4.41 0.81 -2.86 7.04 3.02 -1.00 -4.99 115.26 112.87 1mx9 n ASN 4506Ca -0.15 -2.28 -0.21 0.00 -0.03 0.00 0.00 54.58 51.92 1mx9 n ASN 4506Cb 0.63 -0.30 0.01 0.00 -0.61 0.00 0.00 39.78 39.51 1mx9 n ASN 4506CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx9 n GLY 4507N -0.00 -0.51 3.59 7.41 0.00 0.06 -4.94 105.19 110.80 1mx9 n GLY 4507Ca 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1mx9 n GLY 4507CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mx9 s ASN 4508N -2.48 -0.94 0.51 1.61 2.47 -1.26 -4.90 114.94 109.95 1mx9 s ASN 4508Ca 0.21 1.33 0.30 0.00 0.42 0.00 0.00 52.86 55.13 1mx9 s ASN 4508Cb -0.10 1.94 1.18 0.00 -1.45 0.00 0.00 41.25 42.82 1mx9 s ASN 4508CO 0.26 -0.19 1.92 1.55 -3.72 0.00 0.00 177.10 176.92 1mx9 h PRO 4509N 7.59 0.00 -6.99 0.43 0.13 -1.78 -3.23 132.00 128.16 1mx9 h PRO 4509Ca -0.20 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.37 1mx9 h PRO 4509Cb 1.13 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.41 1mx9 h PRO 4509CO 0.11 0.07 0.45 0.09 -0.23 0.00 0.00 178.00 178.49 1mx9 n ASN 4510N -3.20 2.02 -3.67 1.44 3.02 -1.26 -4.43 115.26 109.18 1mx9 n ASN 4510Ca 0.01 0.90 -0.01 0.00 -0.03 0.00 0.00 54.58 55.45 1mx9 n ASN 4510Cb 0.35 -1.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.00 1mx9 n ASN 4510CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1mx9 s GLY 4511N -1.10 -0.34 0.28 7.41 0.00 -1.26 -4.97 107.32 107.35 1mx9 s GLY 4511Ca 0.75 0.52 -0.29 0.00 0.00 0.00 0.00 44.72 45.70 1mx9 s GLY 4511CO 0.47 0.10 1.22 -0.54 0.00 0.00 0.00 173.10 174.35 1mx9 s GLU 4512N -2.79 4.48 0.00 2.90 2.02 -1.26 -2.98 118.70 121.07 1mx9 s GLU 4512Ca 0.13 2.01 0.00 0.00 0.02 0.00 0.00 54.97 57.13 1mx9 s GLU 4512Cb 0.02 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1mx9 s GLU 4512CO -0.02 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1mx9 n GLY 4513N 1.24 0.67 3.04 -1.39 0.00 -1.26 -5.05 105.19 102.44 1mx9 n GLY 4513Ca 0.01 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 1mx9 n GLY 4513CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mx9 s LEU 4514N 0.00 2.06 0.45 0.99 1.43 -1.16 -5.08 118.68 117.38 1mx9 s LEU 4514Ca 0.00 -0.23 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 1mx9 s LEU 4514Cb 0.00 -0.46 -0.09 0.00 0.03 0.00 0.00 46.19 45.67 1mx9 s LEU 4514CO 0.00 0.08 1.07 -2.65 0.23 0.00 0.00 176.35 175.08 1mx9 n PRO 4515N 2.62 1.42 -1.98 1.29 -0.02 -1.26 -4.75 135.00 132.33 1mx9 n PRO 4515Ca -0.15 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 1mx9 n PRO 4515Cb 0.56 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1mx9 n PRO 4515CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mx9 s HIS 4516N -1.30 2.93 -0.26 6.00 2.46 -1.26 -4.90 115.29 118.96 1mx9 s HIS 4516Ca 0.65 1.12 0.03 0.00 0.47 0.00 0.00 55.06 57.32 1mx9 s HIS 4516Cb -0.52 -3.85 0.06 0.00 -0.13 0.00 0.00 32.58 28.14 1mx9 s HIS 4516CO 0.55 -2.63 -0.11 -0.46 -2.47 0.00 0.00 174.74 169.63 1mx9 s TRP 4517N -0.46 3.25 0.33 3.88 -0.11 -1.26 -4.26 118.94 120.31 1mx9 s TRP 4517Ca 0.56 -2.27 -0.27 0.00 1.22 0.00 0.00 56.10 55.34 1mx9 s TRP 4517Cb -0.43 -1.94 -0.09 0.00 -1.50 0.00 0.00 33.47 29.51 1mx9 s TRP 4517CO 0.49 -0.87 1.07 -1.25 -4.62 0.00 0.00 176.95 171.77 1mx9 s PRO 4518N 1.12 4.42 0.26 5.86 0.04 -1.26 -4.86 135.00 140.58 1mx9 s PRO 4518Ca -0.08 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1mx9 s PRO 4518Cb -0.20 -2.89 -0.09 0.00 0.04 0.00 0.00 34.50 31.36 1mx9 s PRO 4518CO -0.05 0.06 1.24 -2.00 0.04 0.00 0.00 177.00 176.29 1mx9 s GLU 4519N -1.92 4.45 -1.14 4.56 2.12 -1.26 -4.35 118.70 121.16 1mx9 s GLU 4519Ca 0.51 2.02 -0.22 0.00 0.36 0.00 0.00 54.97 57.64 1mx9 s GLU 4519Cb -0.27 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1mx9 s GLU 4519CO 0.35 -0.09 1.86 -0.47 -0.54 0.00 0.00 175.26 176.36 1mx9 s TYR 4520N -0.65 2.13 0.00 5.30 5.04 0.38 -4.29 117.35 125.26 1mx9 s TYR 4520Ca 0.50 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 1mx9 s TYR 4520Cb -0.36 -4.21 0.00 0.00 0.35 0.00 0.00 41.96 37.74 1mx9 s TYR 4520CO 0.44 -1.48 0.00 0.27 -1.34 0.00 0.00 175.55 173.43 1mx9 n ASN 4521N 12.70 0.10 0.31 4.32 0.23 -1.26 -4.57 115.26 127.09 1mx9 n ASN 4521Ca 0.44 0.00 0.18 0.00 -0.53 0.00 0.00 54.58 54.67 1mx9 n ASN 4521Cb 0.47 0.00 1.01 0.00 -2.08 0.00 0.00 39.78 39.17 1mx9 n ASN 4521CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1mx9 h GLN 4522N 0.00 0.00 0.00 -3.83 1.08 -1.98 0.13 115.11 110.52 1mx9 h GLN 4522Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1mx9 h GLN 4522Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1mx9 h GLN 4522CO 0.00 0.02 -0.01 0.87 -0.95 0.00 0.00 178.83 178.76 1mx9 h LYS 4523N 0.00 0.00 -6.00 1.46 1.57 -1.92 -3.48 116.57 108.20 1mx9 h LYS 4523Ca -0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 1mx9 h LYS 4523Cb 0.10 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.48 1mx9 h LYS 4523CO 0.00 0.00 -0.73 0.39 -0.57 0.00 0.00 179.45 178.54 1mx9 n GLU 4524N -2.33 -6.74 -2.03 3.15 1.02 0.47 -4.07 120.64 110.11 1mx9 n GLU 4524Ca 0.05 0.74 -0.32 0.00 -0.02 0.00 0.00 57.16 57.61 1mx9 n GLU 4524Cb 0.44 -5.69 0.01 0.00 -0.02 0.00 0.00 31.44 26.18 1mx9 n GLU 4524CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx9 s GLY 4525N -3.54 2.07 0.28 0.62 0.00 -1.26 -0.46 107.32 105.04 1mx9 s GLY 4525Ca 0.49 0.34 -0.21 0.00 0.00 0.00 0.00 44.72 45.34 1mx9 s GLY 4525CO 0.77 0.65 0.73 -2.52 0.00 0.00 0.00 173.10 172.74 1mx9 s TYR 4526N -2.53 -0.16 -0.09 1.90 -0.85 -0.62 -3.90 117.35 111.10 1mx9 s TYR 4526Ca 0.62 -0.31 -0.04 0.00 -0.52 0.00 0.00 57.07 56.82 1mx9 s TYR 4526Cb -0.15 0.72 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 1mx9 s TYR 4526CO 0.38 -1.25 0.08 -1.17 -1.52 0.00 0.00 175.55 172.07 1mx9 s LEU 4527N -2.93 4.01 -0.35 -3.49 2.96 -0.54 -0.30 118.68 118.04 1mx9 s LEU 4527Ca 0.11 0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 54.24 1mx9 s LEU 4527Cb -0.06 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.65 1mx9 s LEU 4527CO 0.07 0.38 0.14 -1.10 -1.32 0.00 0.00 176.35 174.52 1mx9 s GLN 4528N -1.09 2.77 -0.21 1.98 -0.21 -0.58 -0.75 119.66 121.57 1mx9 s GLN 4528Ca 0.16 -1.10 -0.08 0.00 0.02 0.00 0.00 55.36 54.36 1mx9 s GLN 4528Cb -0.12 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.29 1mx9 s GLN 4528CO 0.05 -0.65 0.10 0.42 -2.12 0.00 0.00 175.29 173.09 1mx9 s ILE 4529N 1.48 4.95 -0.09 1.08 1.01 0.30 -2.21 121.20 127.72 1mx9 s ILE 4529Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1mx9 s ILE 4529Cb -0.19 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1mx9 s ILE 4529CO 0.04 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1mx9 n GLY 4530N 3.88 -0.76 0.24 6.18 0.00 -1.26 0.56 105.19 114.03 1mx9 n GLY 4530Ca -0.16 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1mx9 n GLY 4530CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 h ALA 4531N 0.00 1.42 -3.78 4.61 0.00 -1.95 -3.34 119.26 116.23 1mx9 h ALA 4531Ca 0.00 -0.23 -0.67 0.00 0.00 0.00 0.00 54.91 54.02 1mx9 h ALA 4531Cb 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 17.79 17.31 1mx9 h ALA 4531CO 0.00 0.40 -0.76 -0.80 0.00 0.00 0.00 179.25 178.09 1mx9 s ASN 4532N -6.84 4.61 -0.25 0.00 0.01 -1.26 -5.09 114.94 106.11 1mx9 s ASN 4532Ca -0.06 -1.74 -0.08 0.00 -0.71 0.00 0.00 52.86 50.27 1mx9 s ASN 4532Cb 0.15 -1.59 -0.03 0.00 0.41 0.00 0.00 41.25 40.19 1mx9 s ASN 4532CO 0.75 -0.28 0.09 -0.89 -1.51 0.00 0.00 177.10 175.26 1mx9 s THR 4533N 1.01 4.55 0.11 1.60 2.01 -1.25 -4.72 115.64 118.95 1mx9 s THR 4533Ca 0.00 -0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.66 1mx9 s THR 4533Cb -0.20 -3.13 0.08 0.00 0.01 0.00 0.00 72.50 69.26 1mx9 s THR 4533CO -0.06 0.33 0.65 0.00 -0.69 0.00 0.00 174.62 174.85 1mx9 s GLN 4534N 1.56 1.18 0.95 4.92 0.00 -0.94 -4.90 119.66 122.44 1mx9 s GLN 4534Ca 0.06 -0.36 -0.11 0.00 -0.00 0.00 0.00 55.36 54.95 1mx9 s GLN 4534Cb -0.15 0.55 0.16 0.00 0.00 0.00 0.00 33.01 33.57 1mx9 s GLN 4534CO 0.05 -0.50 1.09 0.00 0.00 0.00 0.00 175.29 175.93 1mx9 s ALA 4535N -3.33 1.11 0.05 2.60 0.00 -1.26 -1.52 121.76 119.41 1mx9 s ALA 4535Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 1mx9 s ALA 4535Cb -0.01 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1mx9 s ALA 4535CO -0.10 -2.79 0.09 0.00 0.00 0.00 0.00 175.76 172.97 1mx9 n ALA 4536N -4.21 -0.18 -3.16 0.00 0.00 0.59 -4.80 120.51 108.74 1mx9 n ALA 4536Ca 0.08 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1mx9 n ALA 4536Cb 0.54 0.14 -0.10 0.00 0.00 0.00 0.00 19.45 20.03 1mx9 n ALA 4536CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mx9 s GLN 4537N -2.03 0.53 -0.54 0.00 -0.21 -1.26 -1.59 119.66 114.56 1mx9 s GLN 4537Ca 0.02 -0.22 -0.16 0.00 0.02 0.00 0.00 55.36 55.03 1mx9 s GLN 4537Cb -0.01 0.23 0.02 0.00 1.00 0.00 0.00 33.01 34.26 1mx9 s GLN 4537CO 0.02 -0.13 0.64 1.63 -2.12 0.00 0.00 175.29 175.32 1mx9 n LYS 4538N 1.57 -1.98 -2.44 2.91 5.02 0.39 -4.93 118.16 118.70 1mx9 n LYS 4538Ca -0.21 1.71 -0.42 0.00 -2.02 0.00 0.00 58.31 57.38 1mx9 n LYS 4538Cb 0.56 -4.61 -0.03 0.00 -0.02 0.00 0.00 35.03 30.93 1mx9 n LYS 4538CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1mx9 s LEU 4539N -3.11 4.41 -0.41 -0.35 2.96 -1.26 -3.50 118.68 117.43 1mx9 s LEU 4539Ca 0.20 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 1mx9 s LEU 4539Cb -0.04 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1mx9 s LEU 4539CO 0.80 -0.39 0.00 0.29 -1.32 0.00 0.00 176.35 175.74 1mx9 n LYS 4540N 3.30 -2.70 0.05 1.98 4.76 -1.26 -4.84 118.16 119.45 1mx9 n LYS 4540Ca 0.07 0.23 -0.12 0.00 -2.87 0.00 0.00 58.31 55.62 1mx9 n LYS 4540Cb 0.46 -4.77 -0.05 0.00 -1.84 0.00 0.00 35.03 28.83 1mx9 n LYS 4540CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1mx9 h ASP 4541N 0.00 -1.00 -0.63 4.39 -0.00 -1.94 -1.90 116.42 115.33 1mx9 h ASP 4541Ca -0.11 0.13 -0.04 0.00 -0.00 0.00 0.00 57.03 57.01 1mx9 h ASP 4541Cb 1.08 0.40 -0.03 0.00 -0.00 0.00 0.00 39.33 40.78 1mx9 h ASP 4541CO 0.13 -0.39 0.26 0.11 -0.00 0.00 0.00 179.24 179.36 1mx9 h LYS 4542N -0.47 0.97 -0.57 0.28 1.57 -1.89 -2.71 116.57 113.75 1mx9 h LYS 4542Ca 0.07 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1mx9 h LYS 4542Cb 0.57 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1mx9 h LYS 4542CO -0.29 0.79 0.32 0.93 -0.57 0.00 0.00 179.45 180.64 1mx9 h GLU 4543N 0.96 0.78 0.08 3.15 3.07 -1.89 0.20 114.58 120.93 1mx9 h GLU 4543Ca 0.22 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1mx9 h GLU 4543Cb 0.18 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1mx9 h GLU 4543CO -0.02 0.59 -0.04 0.28 -1.40 0.00 0.00 179.01 178.42 1mx9 h VAL 4544N 0.76 0.96 -0.31 3.13 2.07 -1.17 0.00 116.25 121.70 1mx9 h VAL 4544Ca 0.20 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1mx9 h VAL 4544Cb 0.02 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1mx9 h VAL 4544CO -0.03 0.04 0.08 0.00 0.02 0.00 0.00 177.57 177.68 1mx9 h ALA 4545N 0.74 0.34 -0.29 1.67 0.00 -1.21 0.12 119.26 120.62 1mx9 h ALA 4545Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1mx9 h ALA 4545Cb 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1mx9 h ALA 4545CO 0.02 -0.32 0.09 0.35 0.00 0.00 0.00 179.25 179.38 1mx9 h PHE 4546N 0.20 0.16 -0.01 0.00 3.57 -0.22 -2.68 116.94 117.96 1mx9 h PHE 4546Ca 0.14 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.40 1mx9 h PHE 4546Cb 0.14 -0.03 0.02 0.00 2.79 0.00 0.00 35.95 38.87 1mx9 h PHE 4546CO -0.16 0.07 -1.00 -1.49 -2.23 0.00 0.00 178.31 173.49 1mx9 h TRP 4547N 0.21 1.03 -0.96 0.41 4.06 -0.77 -2.23 115.95 117.70 1mx9 h TRP 4547Ca 0.13 -0.55 0.15 0.00 2.06 0.00 0.00 58.89 60.68 1mx9 h TRP 4547Cb 0.11 -0.12 -0.09 0.00 -1.00 0.00 0.00 29.16 28.06 1mx9 h TRP 4547CO -0.14 1.39 0.61 1.15 -3.56 0.00 0.00 178.44 177.89 1mx9 h THR 4548N 0.38 0.81 -0.04 1.49 2.02 -0.97 -1.96 112.91 114.64 1mx9 h THR 4548Ca -0.12 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.65 1mx9 h THR 4548Cb 1.66 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1mx9 h THR 4548CO 0.20 0.14 -0.52 -1.13 0.37 0.00 0.00 175.52 174.59 1mx9 h ASN 4549N 0.79 0.52 0.97 4.18 -1.24 -1.47 -2.93 115.58 116.40 1mx9 h ASN 4549Ca 0.50 -0.71 -0.05 0.00 0.71 0.00 0.00 56.30 56.75 1mx9 h ASN 4549Cb 0.74 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 39.64 1mx9 h ASN 4549CO -0.27 1.16 -0.46 0.25 -1.29 0.00 0.00 177.43 176.81 1mx9 h LEU 4550N -0.08 -1.10 -0.21 0.34 5.85 -0.79 -3.12 115.31 116.21 1mx9 h LEU 4550Ca -0.05 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1mx9 h LEU 4550Cb 1.20 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 42.44 1mx9 h LEU 4550CO 0.10 -0.78 -0.42 -0.26 -0.34 0.00 0.00 178.44 176.74 1mx9 h PHE 4551N -1.30 -1.22 0.00 1.25 0.05 -1.53 -0.64 116.94 113.55 1mx9 h PHE 4551Ca -0.13 0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.71 1mx9 h PHE 4551Cb 0.99 0.56 0.00 0.00 2.00 0.00 0.00 35.95 39.51 1mx9 h PHE 4551CO 0.01 -0.47 0.00 0.00 -0.18 0.00 0.00 178.31 177.68 1mx9 n ALA 4552N -2.97 1.13 1.16 2.45 0.00 -1.10 -2.40 120.51 118.78 1mx9 n ALA 4552Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1mx9 n ALA 4552Cb 0.36 -1.00 0.28 0.00 0.00 0.00 0.00 19.45 19.09 1mx9 n ALA 4552CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mx9 n LYS 4553N 0.23 0.69 0.00 0.00 5.02 -0.25 -5.01 118.16 118.84 1mx9 n LYS 4553Ca 0.00 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 1mx9 n LYS 4553Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1mx9 n LYS 4553CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51