#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx9 s SER 4022N 0.00 6.12 0.46 6.43 0.15 -1.26 -5.06 113.70 120.55 1mx9 s SER 4022Ca 0.00 0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.56 1mx9 s SER 4022Cb 0.00 -2.12 -0.13 0.00 -1.71 0.00 0.00 66.02 62.06 1mx9 s SER 4022CO 0.00 0.02 0.32 -2.65 1.20 0.00 0.00 173.24 172.13 1mx9 n PRO 4023N 4.53 0.33 -2.62 5.44 -0.02 -1.26 -4.87 135.00 136.52 1mx9 n PRO 4023Ca -0.14 0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 1mx9 n PRO 4023Cb 0.52 -1.35 -0.02 0.00 -0.02 0.00 0.00 33.50 32.63 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 -1.46 4.13 -0.20 0.52 0.04 -1.26 -4.86 135.00 131.91 1mx9 s PRO 4024Ca 0.62 1.21 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 1mx9 s PRO 4024Cb -0.56 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 1mx9 s PRO 4024CO 0.60 -0.81 0.06 0.08 0.04 0.00 0.00 177.00 176.97 1mx9 s VAL 4025N 3.53 4.60 0.05 -0.36 1.01 -1.26 0.37 120.40 128.34 1mx9 s VAL 4025Ca 0.46 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.43 1mx9 s VAL 4025Cb -0.14 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1mx9 s VAL 4025CO 0.13 0.42 -0.21 -0.69 0.00 0.00 0.00 175.10 174.74 1mx9 s VAL 4026N 0.81 2.57 -0.16 2.92 1.01 0.45 -4.96 120.40 123.05 1mx9 s VAL 4026Ca 0.03 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 60.59 1mx9 s VAL 4026Cb -0.14 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1mx9 s VAL 4026CO 0.02 0.33 0.30 -1.81 0.00 0.00 0.00 175.10 173.95 1mx9 s ASP 4027N -1.42 6.44 0.22 3.32 1.01 -1.26 -0.62 116.67 124.36 1mx9 s ASP 4027Ca 0.14 0.52 0.08 0.00 0.71 0.00 0.00 52.55 53.99 1mx9 s ASP 4027Cb -0.10 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.59 1mx9 s ASP 4027CO 0.04 0.08 -0.14 0.42 0.21 0.00 0.00 175.17 175.79 1mx9 s THR 4028N 0.53 1.81 0.17 -1.27 -4.23 -0.80 -4.77 115.64 107.06 1mx9 s THR 4028Ca 0.17 -2.22 -0.20 0.00 -1.18 0.00 0.00 61.69 58.26 1mx9 s THR 4028Cb -0.13 -2.13 0.08 0.00 1.34 0.00 0.00 72.50 71.66 1mx9 s THR 4028CO 0.04 -0.53 1.63 0.58 -0.54 0.00 0.00 174.62 175.80 1mx9 h VAL 4029N 2.49 0.42 0.00 2.29 2.07 -1.95 -0.99 116.25 120.57 1mx9 h VAL 4029Ca -0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1mx9 h VAL 4029Cb 1.23 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1mx9 h VAL 4029CO 0.62 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.62 1mx9 n HIS 4030N -5.37 0.46 0.00 1.57 8.25 -1.26 -4.99 115.22 113.87 1mx9 n HIS 4030Ca 0.01 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1mx9 n HIS 4030Cb 0.28 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.66 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 0.92 1.89 3.76 -1.41 0.00 -0.38 -1.27 105.19 108.70 1mx9 n GLY 4031Ca 0.05 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.89 4.55 -0.08 1.61 -0.14 -1.25 -1.91 119.74 120.63 1mx9 s LYS 4032Ca 0.00 1.92 0.02 0.00 -1.36 0.00 0.00 55.97 56.55 1mx9 s LYS 4032Cb 0.00 -3.16 0.01 0.00 -1.68 0.00 0.00 37.83 33.00 1mx9 s LYS 4032CO 0.00 0.08 -0.15 0.14 -0.76 0.00 0.00 175.35 174.67 1mx9 s VAL 4033N -1.05 1.34 -0.22 3.17 -7.23 0.21 0.30 120.40 116.92 1mx9 s VAL 4033Ca 0.46 -0.59 -0.14 0.00 -1.81 0.00 0.00 61.98 59.91 1mx9 s VAL 4033Cb -0.34 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1mx9 s VAL 4033CO 0.44 0.40 0.30 -0.22 -0.31 0.00 0.00 175.10 175.71 1mx9 s LEU 4034N 0.66 4.13 0.00 1.32 0.20 0.15 -0.41 118.68 124.74 1mx9 s LEU 4034Ca -0.14 0.34 0.00 0.00 0.69 0.00 0.00 54.13 55.02 1mx9 s LEU 4034Cb -0.16 -2.34 0.00 0.00 -0.43 0.00 0.00 46.19 43.26 1mx9 s LEU 4034CO 0.04 -0.02 0.00 0.61 -0.29 0.00 0.00 176.35 176.69 1mx9 n GLY 4035N 4.10 3.72 3.61 7.98 0.00 0.16 -0.68 105.19 124.07 1mx9 n GLY 4035Ca -0.11 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 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 2.69 0.75 0.30 1.61 -2.85 -0.58 -4.31 119.74 117.34 1mx9 s LYS 4036Ca 0.00 1.07 -0.22 0.00 -1.00 0.00 0.00 55.97 55.82 1mx9 s LYS 4036Cb 0.00 0.27 -0.09 0.00 -2.06 0.00 0.00 37.83 35.94 1mx9 s LYS 4036CO 0.00 -0.12 0.84 -0.06 0.10 0.00 0.00 175.35 176.11 1mx9 s PHE 4037N 0.97 3.60 -0.08 1.78 2.99 -1.26 -0.67 117.98 125.31 1mx9 s PHE 4037Ca -0.05 1.55 -0.03 0.00 0.00 0.00 0.00 56.93 58.41 1mx9 s PHE 4037Cb -0.05 -2.76 0.04 0.00 0.00 0.00 0.00 43.02 40.26 1mx9 s PHE 4037CO -0.09 0.21 0.15 0.08 -0.00 0.00 0.00 175.22 175.58 1mx9 s VAL 4038N -1.68 -0.20 0.15 -0.44 1.01 -0.54 -4.96 120.40 113.75 1mx9 s VAL 4038Ca 0.49 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 1mx9 s VAL 4038Cb -0.16 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 1mx9 s VAL 4038CO 0.21 0.13 0.38 -0.44 0.00 0.00 0.00 175.10 175.37 1mx9 s SER 4039N 1.96 6.48 -0.14 3.32 0.01 -1.26 -1.30 113.70 122.77 1mx9 s SER 4039Ca -0.01 0.58 0.03 0.00 1.31 0.00 0.00 55.95 57.86 1mx9 s SER 4039Cb -0.12 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.03 1mx9 s SER 4039CO -0.06 0.04 -0.22 -0.22 0.41 0.00 0.00 173.24 173.19 1mx9 s LEU 4040N -2.71 2.11 -0.40 2.44 2.96 -1.26 -5.00 118.68 116.82 1mx9 s LEU 4040Ca 0.41 -0.60 -0.45 0.00 -0.22 0.00 0.00 54.13 53.27 1mx9 s LEU 4040Cb -0.12 -1.44 -0.19 0.00 0.50 0.00 0.00 46.19 44.94 1mx9 s LEU 4040CO 0.25 0.08 1.57 1.21 -1.32 0.00 0.00 176.35 178.14 1mx9 n GLU 4041N 4.04 0.21 -0.40 1.98 4.07 -1.26 -1.24 120.64 128.03 1mx9 n GLU 4041Ca -0.20 0.08 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 1mx9 n GLU 4041Cb 0.52 -1.61 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 1mx9 n GLU 4041CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1mx9 n GLY 4042N 3.75 0.76 2.72 8.31 0.00 -1.26 -5.07 105.19 114.39 1mx9 n GLY 4042Ca 0.29 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 0.01 0.00 1.61 0.40 -0.37 -5.08 117.98 112.55 1mx9 s PHE 4043Ca 0.00 0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.64 1mx9 s PHE 4043Cb 0.00 -0.40 0.00 0.00 0.51 0.00 0.00 43.02 43.13 1mx9 s PHE 4043CO 0.00 -0.19 0.86 0.00 0.70 0.00 0.00 175.22 176.59 1mx9 n ALA 4044N 5.11 -0.31 -1.99 5.36 0.00 -1.26 -4.59 120.51 122.84 1mx9 n ALA 4044Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 1mx9 n ALA 4044Cb 0.50 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1mx9 n ALA 4044CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1mx9 s GLN 4045N -2.43 4.38 0.81 0.00 2.00 -1.26 -5.01 119.66 118.16 1mx9 s GLN 4045Ca 0.00 2.07 -0.11 0.00 -2.00 0.00 0.00 55.36 55.33 1mx9 s GLN 4045Cb 0.00 -3.18 0.11 0.00 0.80 0.00 0.00 33.01 30.74 1mx9 s GLN 4045CO 0.00 -0.26 1.16 -1.25 -0.50 0.00 0.00 175.29 174.44 1mx9 s PRO 4046N -0.19 1.64 -0.15 1.67 0.04 -1.26 -4.85 135.00 131.90 1mx9 s PRO 4046Ca 0.56 -0.24 -0.05 0.00 0.04 0.00 0.00 61.00 61.32 1mx9 s PRO 4046Cb -0.37 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 1mx9 s PRO 4046CO 0.39 -1.71 0.01 0.08 0.04 0.00 0.00 177.00 175.81 1mx9 s VAL 4047N -3.53 4.30 0.13 -0.36 1.01 -0.42 -4.78 120.40 116.74 1mx9 s VAL 4047Ca 0.65 -0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.14 1mx9 s VAL 4047Cb -0.08 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 1mx9 s VAL 4047CO 0.48 0.50 0.86 0.00 0.00 0.00 0.00 175.10 176.95 1mx9 s ALA 4048N 0.11 3.34 -0.08 5.51 0.00 -0.45 -1.47 121.76 128.73 1mx9 s ALA 4048Ca 0.02 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1mx9 s ALA 4048Cb -0.13 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1mx9 s ALA 4048CO 0.02 0.12 -0.08 0.42 0.00 0.00 0.00 175.76 176.23 1mx9 s ILE 4049N -0.50 0.92 -0.17 0.00 1.01 0.15 -1.74 121.20 120.87 1mx9 s ILE 4049Ca 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1mx9 s ILE 4049Cb -0.23 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1mx9 s ILE 4049CO 0.28 0.33 -0.17 -0.36 0.00 0.00 0.00 174.94 175.01 1mx9 s PHE 4050N 1.24 2.79 -0.08 3.97 0.40 -0.71 -1.53 117.98 124.06 1mx9 s PHE 4050Ca -0.04 -1.38 -0.00 0.00 -0.60 0.00 0.00 56.93 54.91 1mx9 s PHE 4050Cb -0.14 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 1mx9 s PHE 4050CO -0.02 -0.67 -0.05 -0.51 0.70 0.00 0.00 175.22 174.66 1mx9 s LEU 4051N 1.14 3.27 -0.97 -0.37 1.43 0.56 -1.23 118.68 122.52 1mx9 s LEU 4051Ca 0.01 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1mx9 s LEU 4051Cb -0.14 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1mx9 s LEU 4051CO -0.07 0.36 0.81 0.61 0.23 0.00 0.00 176.35 178.28 1mx9 n GLY 4052N 2.27 -0.20 3.62 -3.19 0.00 -1.24 -3.87 105.19 102.57 1mx9 n GLY 4052Ca -0.18 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.29 4.97 0.04 -0.61 1.01 -0.83 -4.84 121.20 117.65 1mx9 s ILE 4053Ca 0.02 1.03 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 1mx9 s ILE 4053Cb -0.01 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 1mx9 s ILE 4053CO 0.58 -0.03 1.66 -2.16 0.00 0.00 0.00 174.94 174.99 1mx9 s PRO 4054N 2.53 4.20 0.00 2.79 0.04 -1.26 -1.58 135.00 141.71 1mx9 s PRO 4054Ca 0.26 2.30 0.21 0.00 0.04 0.00 0.00 61.00 63.80 1mx9 s PRO 4054Cb -0.15 -3.71 0.11 0.00 0.04 0.00 0.00 34.50 30.79 1mx9 s PRO 4054CO 0.10 -0.76 1.11 1.97 0.04 0.00 0.00 177.00 179.46 1mx9 n PHE 4055N 6.00 0.00 -3.84 0.56 1.16 -1.04 -4.90 117.46 115.40 1mx9 n PHE 4055Ca 0.16 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.66 1mx9 n PHE 4055Cb 0.41 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 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 -1.94 -0.95 -0.01 1.98 0.00 -1.25 -4.49 121.76 115.10 1mx9 s ALA 4056Ca 0.22 -0.55 -0.24 0.00 0.00 0.00 0.00 51.96 51.39 1mx9 s ALA 4056Cb 0.17 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 1mx9 s ALA 4056CO 0.35 -1.01 0.72 0.21 0.00 0.00 0.00 175.76 176.03 1mx9 s LYS 4057N -3.13 4.45 -0.44 0.00 2.20 0.30 -4.46 119.74 118.65 1mx9 s LYS 4057Ca 0.14 0.95 -0.41 0.00 -0.36 0.00 0.00 55.97 56.28 1mx9 s LYS 4057Cb -0.05 -3.40 -0.16 0.00 -1.51 0.00 0.00 37.83 32.70 1mx9 s LYS 4057CO 0.09 0.19 2.10 -2.30 -0.36 0.00 0.00 175.35 175.07 1mx9 n PRO 4058N 3.26 0.41 -0.50 4.03 -0.02 -1.26 -4.46 135.00 136.46 1mx9 n PRO 4058Ca -0.02 0.12 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 1mx9 n PRO 4058Cb 0.51 -1.84 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 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 7.41 1.23 -3.03 0.52 -0.04 -1.26 -4.86 135.00 134.97 1mx9 n PRO 4059Ca 0.48 -0.81 -0.20 0.00 -0.04 0.00 0.00 63.50 62.93 1mx9 n PRO 4059Cb 0.05 -2.01 0.01 0.00 -0.04 0.00 0.00 33.50 31.52 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 0.03 3.64 0.00 1.53 1.43 -1.26 -3.30 118.68 120.76 1mx9 s LEU 4060Ca 0.30 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1mx9 s LEU 4060Cb 0.11 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1mx9 s LEU 4060CO -0.01 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.42 1mx9 n GLY 4061N -1.97 2.93 0.18 -3.19 0.00 -1.26 -0.30 105.19 101.58 1mx9 n GLY 4061Ca 0.04 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.93 -2.01 132.00 129.80 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 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 177.70 1mx9 h LEU 4063N 0.00 0.00 -9.70 1.56 3.38 -0.94 -3.44 115.31 106.18 1mx9 h LEU 4063Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1mx9 h LEU 4063Cb 0.23 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.04 1mx9 h LEU 4063CO 0.00 0.00 0.88 -0.60 0.09 0.00 0.00 178.44 178.81 1mx9 s ARG 4064N -3.21 4.19 -0.77 1.13 3.52 -0.76 -1.73 118.95 121.32 1mx9 s ARG 4064Ca 0.08 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 1mx9 s ARG 4064Cb 0.09 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1mx9 s ARG 4064CO 0.60 -0.60 0.00 1.19 -0.81 0.00 0.00 175.30 175.68 1mx9 n PHE 4065N 3.16 -0.40 -4.07 5.12 3.72 -1.26 -5.01 117.46 118.72 1mx9 n PHE 4065Ca 0.11 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.42 1mx9 n PHE 4065Cb 0.38 -2.25 -0.11 0.00 -0.94 0.00 0.00 39.48 36.57 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 -2.44 0.35 0.82 4.37 -4.23 -0.70 -4.88 115.64 108.92 1mx9 s THR 4066Ca 0.00 -1.42 -0.16 0.00 -1.18 0.00 0.00 61.69 58.94 1mx9 s THR 4066Cb 0.00 -0.99 -0.05 0.00 1.34 0.00 0.00 72.50 72.80 1mx9 s THR 4066CO 0.00 -0.70 0.20 -2.65 -0.54 0.00 0.00 174.62 170.93 1mx9 n PRO 4067N 0.80 0.05 -2.54 3.99 -0.02 -1.26 -4.89 135.00 131.13 1mx9 n PRO 4067Ca -0.18 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 1mx9 n PRO 4067Cb 0.58 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 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 -2.71 4.51 0.17 0.52 0.04 -1.26 -5.04 135.00 131.22 1mx9 s PRO 4068Ca 0.58 1.64 0.05 0.00 0.04 0.00 0.00 61.00 63.31 1mx9 s PRO 4068Cb -0.29 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 1mx9 s PRO 4068CO 0.66 -0.12 0.13 -0.65 0.04 0.00 0.00 177.00 177.05 1mx9 s GLN 4069N 0.77 2.86 0.44 4.56 -0.21 -1.26 -4.94 119.66 121.88 1mx9 s GLN 4069Ca 0.55 -0.89 -0.21 0.00 0.02 0.00 0.00 55.36 54.82 1mx9 s GLN 4069Cb -0.27 -2.62 -0.12 0.00 1.00 0.00 0.00 33.01 31.00 1mx9 s GLN 4069CO 0.30 0.48 0.48 -2.30 -2.12 0.00 0.00 175.29 172.13 1mx9 n PRO 4070N -0.35 0.50 -2.72 2.91 -0.02 -1.26 0.11 135.00 134.16 1mx9 n PRO 4070Ca -0.08 0.18 -0.37 0.00 -2.02 0.00 0.00 63.50 61.21 1mx9 n PRO 4070Cb 0.55 -1.47 -0.06 0.00 -0.02 0.00 0.00 33.50 32.50 1mx9 n PRO 4070CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mx9 s ALA 4071N -1.55 3.22 0.23 3.55 0.00 -1.26 -3.54 121.76 122.41 1mx9 s ALA 4071Ca 0.63 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1mx9 s ALA 4071Cb -0.58 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.24 1mx9 s ALA 4071CO 0.58 0.10 1.17 -2.00 0.00 0.00 0.00 175.76 175.61 1mx9 s GLU 4072N -1.98 4.53 0.68 0.00 2.56 -1.26 -4.93 118.70 118.30 1mx9 s GLU 4072Ca 0.50 1.88 -0.14 0.00 0.00 0.00 0.00 54.97 57.21 1mx9 s GLU 4072Cb -0.21 -3.21 0.01 0.00 2.00 0.00 0.00 34.13 32.72 1mx9 s GLU 4072CO 0.26 0.01 1.09 -1.25 -0.56 0.00 0.00 175.26 174.81 1mx9 s PRO 4073N -0.77 2.75 0.28 4.30 0.04 -1.26 -5.02 135.00 135.33 1mx9 s PRO 4073Ca 0.50 1.26 0.11 0.00 0.04 0.00 0.00 61.00 62.91 1mx9 s PRO 4073Cb -0.33 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1mx9 s PRO 4073CO 0.39 -1.27 -0.18 1.67 0.04 0.00 0.00 177.00 177.65 1mx9 s TRP 4074N -2.57 2.27 -0.00 0.56 -2.14 -0.40 -5.04 118.94 111.61 1mx9 s TRP 4074Ca 0.64 -0.37 -0.00 0.00 2.66 0.00 0.00 56.10 59.03 1mx9 s TRP 4074Cb -0.18 -1.03 -0.00 0.00 -3.10 0.00 0.00 33.47 29.16 1mx9 s TRP 4074CO 0.46 0.68 0.27 0.77 -2.66 0.00 0.00 176.95 176.47 1mx9 h SER 4075N 2.25 -0.01 0.00 -2.66 0.02 -1.97 -3.42 113.55 107.76 1mx9 h SER 4075Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1mx9 h SER 4075Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1mx9 h SER 4075CO 0.62 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.80 1mx9 n PHE 4076N -2.06 0.00 -3.08 3.45 3.01 -1.26 -4.83 117.46 112.70 1mx9 n PHE 4076Ca -0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 1mx9 n PHE 4076Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 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 2.54 5.00 -0.07 -4.37 1.01 -1.26 -3.89 120.40 119.34 1mx9 s VAL 4077Ca 0.00 1.28 -0.22 0.00 0.00 0.00 0.00 61.98 63.04 1mx9 s VAL 4077Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1mx9 s VAL 4077CO 0.00 0.10 0.64 -0.75 0.00 0.00 0.00 175.10 175.09 1mx9 s LYS 4078N 1.90 4.41 -0.39 2.72 2.20 0.15 -4.87 119.74 125.85 1mx9 s LYS 4078Ca 0.31 0.77 -0.24 0.00 -0.36 0.00 0.00 55.97 56.44 1mx9 s LYS 4078Cb -0.16 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.74 1mx9 s LYS 4078CO 0.11 0.11 0.85 1.21 -0.36 0.00 0.00 175.35 177.27 1mx9 s ASN 4079N 0.68 6.57 -0.85 1.43 2.47 -1.26 0.29 114.94 124.27 1mx9 s ASN 4079Ca 0.34 0.35 -0.01 0.00 0.42 0.00 0.00 52.86 53.96 1mx9 s ASN 4079Cb -0.17 -2.43 0.35 0.00 -1.45 0.00 0.00 41.25 37.55 1mx9 s ASN 4079CO 0.16 -0.84 1.94 0.00 -3.72 0.00 0.00 177.10 174.64 1mx9 n ALA 4080N 6.68 6.36 -1.80 1.71 0.00 0.14 -4.68 120.51 128.93 1mx9 n ALA 4080Ca 0.05 -4.22 -0.08 0.00 0.00 0.00 0.00 53.44 49.20 1mx9 n ALA 4080Cb 0.48 -1.94 0.12 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.46 2.34 -3.81 0.00 -2.24 -1.25 0.21 114.28 109.07 1mx9 n THR 4081Ca 0.52 -3.67 -0.12 0.00 -2.27 0.00 0.00 64.05 58.50 1mx9 n THR 4081Cb 0.26 -0.63 -0.12 0.00 -2.10 0.00 0.00 70.33 67.74 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 -3.40 -0.18 0.20 3.42 0.01 -1.26 -4.97 113.70 107.51 1mx9 s SER 4082Ca 0.44 0.34 -0.31 0.00 1.31 0.00 0.00 55.95 57.74 1mx9 s SER 4082Cb 0.39 0.36 -0.10 0.00 0.21 0.00 0.00 66.02 66.88 1mx9 s SER 4082CO -0.02 -0.07 1.48 -0.31 0.41 0.00 0.00 173.24 174.73 1mx9 s TYR 4083N 0.06 3.08 0.99 2.43 2.02 -1.26 -3.63 117.35 121.03 1mx9 s TYR 4083Ca -0.00 0.87 -0.14 0.00 -0.37 0.00 0.00 57.07 57.43 1mx9 s TYR 4083Cb -0.01 -3.83 0.18 0.00 -0.40 0.00 0.00 41.96 37.90 1mx9 s TYR 4083CO 0.00 -2.88 1.15 -1.25 -1.57 0.00 0.00 175.55 171.01 1mx9 s PRO 4084N 0.42 0.49 0.70 -1.71 0.04 -1.26 -4.93 135.00 128.75 1mx9 s PRO 4084Ca 0.64 0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.72 1mx9 s PRO 4084Cb -0.42 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1mx9 s PRO 4084CO 0.37 -2.61 1.06 -2.14 0.04 0.00 0.00 177.00 173.72 1mx9 s PRO 4085N -5.35 2.91 -0.05 0.56 0.02 -1.26 -4.71 135.00 127.11 1mx9 s PRO 4085Ca 0.67 0.84 -0.03 0.00 0.02 0.00 0.00 61.00 62.49 1mx9 s PRO 4085Cb -0.13 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1mx9 s PRO 4085CO 0.54 -1.09 0.12 0.00 -0.33 0.00 0.00 177.00 176.25 1mx9 s MET 4086N -5.11 3.30 0.10 5.54 0.23 0.13 -4.68 119.30 118.81 1mx9 s MET 4086Ca 0.58 -0.31 -0.36 0.00 -1.03 0.00 0.00 55.69 54.57 1mx9 s MET 4086Cb -0.13 -3.04 -0.17 0.00 -1.53 0.00 0.00 34.83 29.96 1mx9 s MET 4086CO 0.54 0.71 1.28 0.00 -2.03 0.00 0.00 175.02 175.52 1mx9 n THR 4088N 2.20 0.01 -3.83 0.00 -1.04 -1.16 -4.79 114.28 105.68 1mx9 n THR 4088Ca 0.18 -0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.10 1mx9 n THR 4088Cb 0.20 -0.30 0.01 0.00 -1.82 0.00 0.00 70.33 68.42 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 1.46 2.05 -0.27 -2.82 -2.07 -1.26 -4.75 119.66 112.00 1mx9 s GLN 4089Ca 0.97 -1.27 -0.31 0.00 -1.82 0.00 0.00 55.36 52.93 1mx9 s GLN 4089Cb -1.35 0.61 -0.08 0.00 -1.09 0.00 0.00 33.01 31.11 1mx9 s GLN 4089CO 0.68 -0.96 2.20 -3.47 -1.32 0.00 0.00 175.29 172.42 1mx9 n ASP 4090N -1.08 2.82 -0.30 12.60 -0.08 -1.26 -4.82 116.55 124.43 1mx9 n ASP 4090Ca -0.07 0.31 0.09 0.00 -1.51 0.00 0.00 54.79 53.61 1mx9 n ASP 4090Cb 0.60 -1.43 0.25 0.00 2.34 0.00 0.00 41.12 42.87 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 13.85 0.54 0.13 -0.67 0.13 -1.98 -1.90 132.00 142.10 1mx9 h PRO 4091Ca -0.36 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 1mx9 h PRO 4091Cb 1.27 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1mx9 h PRO 4091CO 0.98 0.36 -0.06 0.87 -0.23 0.00 0.00 178.00 179.92 1mx9 h LYS 4092N 0.55 -0.17 -0.34 0.86 1.57 -2.00 -2.85 116.57 114.19 1mx9 h LYS 4092Ca 0.49 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.30 1mx9 h LYS 4092Cb 0.77 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1mx9 h LYS 4092CO -0.41 0.26 0.23 0.00 -0.57 0.00 0.00 179.45 178.96 1mx9 h ALA 4093N 0.06 1.82 -0.09 3.86 0.00 -1.92 -1.43 119.26 121.57 1mx9 h ALA 4093Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1mx9 h ALA 4093Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1mx9 h ALA 4093CO 0.03 0.15 -0.69 0.78 0.00 0.00 0.00 179.25 179.51 1mx9 h GLY 4094N 0.40 0.43 1.64 0.00 0.00 -1.39 -2.14 103.07 102.01 1mx9 h GLY 4094Ca 0.13 -0.59 -0.18 0.00 0.00 0.00 0.00 47.33 46.69 1mx9 h GLY 4094CO -0.03 0.52 -0.76 -1.61 0.00 0.00 0.00 176.54 174.67 1mx9 h GLN 4095N 0.27 0.34 -0.17 4.80 4.15 -1.18 -1.54 115.11 121.78 1mx9 h GLN 4095Ca -0.02 -0.30 -0.19 0.00 0.77 0.00 0.00 58.65 58.91 1mx9 h GLN 4095Cb 1.25 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1mx9 h GLN 4095CO 0.12 0.95 -0.65 1.25 -1.93 0.00 0.00 178.83 178.56 1mx9 h LEU 4096N 0.23 0.75 -0.80 -2.39 5.85 -1.26 -1.18 115.31 116.50 1mx9 h LEU 4096Ca -0.03 -0.45 -0.12 0.00 0.84 0.00 0.00 57.88 58.11 1mx9 h LEU 4096Cb 1.34 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1mx9 h LEU 4096CO 0.13 1.21 -0.49 0.25 -0.34 0.00 0.00 178.44 179.19 1mx9 h LEU 4097N 0.48 0.28 0.35 2.25 5.85 -1.35 -2.01 115.31 121.16 1mx9 h LEU 4097Ca -0.02 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1mx9 h LEU 4097Cb 1.24 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1mx9 h LEU 4097CO 0.13 0.73 -0.17 -1.28 -0.34 0.00 0.00 178.44 177.51 1mx9 h SER 4098N 0.21 -0.40 -0.78 1.25 0.87 -1.07 -1.72 113.55 111.91 1mx9 h SER 4098Ca 0.01 -0.12 0.18 0.00 -1.23 0.00 0.00 61.79 60.63 1mx9 h SER 4098Cb 0.94 0.10 -0.12 0.00 -0.44 0.00 0.00 62.40 62.89 1mx9 h SER 4098CO 0.08 -0.10 0.22 -0.33 -0.53 0.00 0.00 176.83 176.17 1mx9 h GLU 4099N -0.71 0.28 0.00 2.24 5.08 -1.12 0.29 114.58 120.63 1mx9 h GLU 4099Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1mx9 h GLU 4099Cb 0.49 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1mx9 h GLU 4099CO 0.08 0.18 0.00 1.28 -1.00 0.00 0.00 179.01 179.55 1mx9 n LEU 4100N -5.15 0.00 0.00 1.33 4.77 -0.76 -4.18 117.00 113.01 1mx9 n LEU 4100Ca 0.16 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1mx9 n LEU 4100Cb 0.52 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1mx9 n LEU 4100CO 0.12 -0.02 -0.37 0.49 -1.33 0.00 0.00 177.39 176.28 1mx9 n PHE 4101N -1.29 0.00 -0.61 -1.77 3.01 -0.21 -5.01 117.46 111.58 1mx9 n PHE 4101Ca 0.13 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.29 1mx9 n PHE 4101Cb 0.23 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.90 1mx9 n PHE 4101CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1mx9 n THR 4102N -1.13 0.00 -0.34 4.37 5.66 -0.08 -4.87 114.28 117.89 1mx9 n THR 4102Ca 0.00 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1mx9 n THR 4102Cb 0.00 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 1mx9 n THR 4102CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1mx9 n ASN 4103N -3.85 1.09 -4.97 1.09 6.94 -1.26 -4.97 115.26 109.33 1mx9 n ASN 4103Ca 0.06 -1.42 -0.19 0.00 -0.02 0.00 0.00 54.58 53.01 1mx9 n ASN 4103Cb 0.54 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.95 1mx9 n ASN 4103CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mx9 s ARG 4104N -0.42 3.06 0.00 -3.83 1.70 -1.26 -3.70 118.95 114.49 1mx9 s ARG 4104Ca 0.00 -1.06 0.00 0.00 -0.47 0.00 0.00 55.73 54.20 1mx9 s ARG 4104Cb 0.00 -2.77 0.00 0.00 -0.57 0.00 0.00 34.95 31.61 1mx9 s ARG 4104CO 0.00 0.07 0.23 1.63 -1.08 0.00 0.00 175.30 176.14 1mx9 n LYS 4105N -1.60 0.00 -2.67 3.89 5.02 -1.26 -4.68 118.16 116.86 1mx9 n LYS 4105Ca -0.00 0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 56.05 1mx9 n LYS 4105Cb 0.58 -0.73 -0.05 0.00 -0.02 0.00 0.00 35.03 34.82 1mx9 n LYS 4105CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1mx9 s GLU 4106N -0.45 4.03 0.15 1.97 8.01 -1.26 -5.04 118.70 126.11 1mx9 s GLU 4106Ca 0.00 0.93 -0.19 0.00 0.01 0.00 0.00 54.97 55.72 1mx9 s GLU 4106Cb 0.00 -2.21 -0.07 0.00 -4.31 0.00 0.00 34.13 27.54 1mx9 s GLU 4106CO 0.00 -0.12 0.64 1.21 0.01 0.00 0.00 175.26 177.00 1mx9 s ASN 4107N -2.69 7.04 -0.47 -0.19 3.04 -1.26 -5.03 114.94 115.38 1mx9 s ASN 4107Ca 0.59 1.31 -0.22 0.00 0.04 0.00 0.00 52.86 54.58 1mx9 s ASN 4107Cb -0.10 -2.38 0.03 0.00 -1.54 0.00 0.00 41.25 37.27 1mx9 s ASN 4107CO 0.24 0.14 0.75 -0.63 -3.04 0.00 0.00 177.10 174.56 1mx9 s ILE 4108N -1.34 4.69 0.13 -5.21 -1.09 -1.26 -5.02 121.20 112.10 1mx9 s ILE 4108Ca 0.37 0.16 -0.31 0.00 -2.23 0.00 0.00 60.65 58.64 1mx9 s ILE 4108Cb -0.18 -4.33 -0.09 0.00 -1.58 0.00 0.00 42.46 36.29 1mx9 s ILE 4108CO 0.21 -0.77 1.49 -2.16 -1.23 0.00 0.00 174.94 172.47 1mx9 s PRO 4109N 3.17 4.26 0.26 2.79 0.04 -1.26 -4.99 135.00 139.28 1mx9 s PRO 4109Ca 0.26 2.22 0.07 0.00 0.04 0.00 0.00 61.00 63.59 1mx9 s PRO 4109Cb -0.14 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 1mx9 s PRO 4109CO 0.19 -0.54 0.21 -0.51 0.04 0.00 0.00 177.00 176.39 1mx9 s LEU 4110N 1.23 3.79 0.05 -3.56 1.43 -1.26 -5.12 118.68 115.23 1mx9 s LEU 4110Ca 0.68 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1mx9 s LEU 4110Cb -0.40 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1mx9 s LEU 4110CO 0.31 -0.07 0.15 -0.75 0.23 0.00 0.00 176.35 176.22 1mx9 s LYS 4111N -3.86 3.24 -0.11 1.70 2.47 -1.26 -4.94 119.74 116.97 1mx9 s LYS 4111Ca 0.34 -0.50 -0.10 0.00 -1.56 0.00 0.00 55.97 54.15 1mx9 s LYS 4111Cb -0.08 -2.94 -0.05 0.00 -1.46 0.00 0.00 37.83 33.31 1mx9 s LYS 4111CO 0.25 0.61 0.22 -0.51 0.16 0.00 0.00 175.35 176.08 1mx9 s LEU 4112N -2.28 4.36 -0.15 5.43 1.43 -1.26 0.17 118.68 126.37 1mx9 s LEU 4112Ca 0.31 0.54 -0.28 0.00 -1.03 0.00 0.00 54.13 53.66 1mx9 s LEU 4112Cb -0.13 -2.23 0.08 0.00 0.03 0.00 0.00 46.19 43.95 1mx9 s LEU 4112CO 0.23 0.31 0.77 -0.55 0.23 0.00 0.00 176.35 177.34 1mx9 s SER 4113N -0.58 -0.62 0.22 2.29 0.15 -1.09 -4.90 113.70 109.16 1mx9 s SER 4113Ca 0.16 0.90 0.23 0.00 0.70 0.00 0.00 55.95 57.95 1mx9 s SER 4113Cb -0.13 0.81 0.92 0.00 -1.71 0.00 0.00 66.02 65.92 1mx9 s SER 4113CO 0.05 -0.42 1.71 -0.62 1.20 0.00 0.00 173.24 175.16 1mx9 n GLU 4114N 1.54 0.19 -3.01 5.44 1.02 -1.26 -3.00 120.64 121.56 1mx9 n GLU 4114Ca -0.16 0.35 -0.44 0.00 -0.02 0.00 0.00 57.16 56.89 1mx9 n GLU 4114Cb 0.56 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1mx9 n GLU 4114CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1mx9 n ASP 4115N -2.16 5.37 0.00 1.62 2.03 -1.26 -4.45 116.55 117.70 1mx9 n ASP 4115Ca 0.03 -3.03 0.00 0.00 0.52 0.00 0.00 54.79 52.31 1mx9 n ASP 4115Cb 0.27 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 1mx9 n ASP 4115CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mx9 n LEU 4117N -0.34 3.15 -4.53 0.00 4.77 -1.26 -4.73 117.00 114.06 1mx9 n LEU 4117Ca 0.00 -2.81 -0.25 0.00 -0.03 0.00 0.00 56.01 52.92 1mx9 n LEU 4117Cb 0.04 -1.32 -0.09 0.00 -2.33 0.00 0.00 43.42 39.72 1mx9 n LEU 4117CO 0.00 -1.35 -0.22 -0.31 -1.33 0.00 0.00 177.39 174.18 1mx9 s TYR 4118N 8.42 1.86 -0.10 -1.77 1.51 -1.26 -2.50 117.35 123.50 1mx9 s TYR 4118Ca 0.65 -1.14 -0.21 0.00 -1.01 0.00 0.00 57.07 55.35 1mx9 s TYR 4118Cb 0.07 -1.26 0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1mx9 s TYR 4118CO 0.16 -0.14 0.51 -0.48 -1.11 0.00 0.00 175.55 174.49 1mx9 s LEU 4119N -3.61 0.05 0.11 -1.29 0.05 -0.62 -2.41 118.68 110.96 1mx9 s LEU 4119Ca 0.25 0.67 0.07 0.00 0.05 0.00 0.00 54.13 55.18 1mx9 s LEU 4119Cb 0.04 1.87 -0.04 0.00 -2.05 0.00 0.00 46.19 46.01 1mx9 s LEU 4119CO 0.13 -0.39 -0.12 0.20 -0.55 0.00 0.00 176.35 175.63 1mx9 s ASN 4120N -0.64 4.28 -0.03 1.48 0.01 0.21 -1.96 114.94 118.29 1mx9 s ASN 4120Ca -0.07 -0.42 0.04 0.00 -0.71 0.00 0.00 52.86 51.69 1mx9 s ASN 4120Cb -0.03 -0.77 -0.00 0.00 0.41 0.00 0.00 41.25 40.86 1mx9 s ASN 4120CO 0.05 0.18 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.04 1mx9 s ILE 4121N -1.19 1.23 -0.20 0.60 1.01 -0.37 -1.45 121.20 120.83 1mx9 s ILE 4121Ca 0.20 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1mx9 s ILE 4121Cb -0.11 -1.06 0.04 0.00 0.01 0.00 0.00 42.46 41.34 1mx9 s ILE 4121CO 0.13 0.36 -0.12 -0.31 0.00 0.00 0.00 174.94 175.00 1mx9 s TYR 4122N 0.03 2.58 -0.08 3.97 1.51 0.14 -1.74 117.35 123.76 1mx9 s TYR 4122Ca -0.02 -1.68 0.00 0.00 -1.01 0.00 0.00 57.07 54.36 1mx9 s TYR 4122Cb -0.10 -1.72 0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1mx9 s TYR 4122CO 0.01 -0.77 -0.06 -0.08 -1.11 0.00 0.00 175.55 173.55 1mx9 s THR 4123N 1.34 0.78 -1.09 -0.71 -1.32 -0.71 -0.58 115.64 113.35 1mx9 s THR 4123Ca -0.01 -0.18 0.27 0.00 -1.21 0.00 0.00 61.69 60.56 1mx9 s THR 4123Cb -0.16 -0.81 0.13 0.00 -1.51 0.00 0.00 72.50 70.15 1mx9 s THR 4123CO -0.09 0.31 1.63 -0.81 -2.21 0.00 0.00 174.62 173.45 1mx9 n PRO 4124N 4.62 0.10 -1.75 7.08 -0.04 -1.26 -1.34 135.00 142.40 1mx9 n PRO 4124Ca -0.15 -0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 1mx9 n PRO 4124Cb 0.50 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.41 2.00 -2.59 0.55 0.00 -1.26 -4.89 120.51 112.90 1mx9 n ALA 4125Ca 0.07 0.31 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 1mx9 n ALA 4125Cb 0.33 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 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 -0.30 6.51 0.09 0.00 2.15 -1.26 -4.84 116.67 119.02 1mx9 s ASP 4126Ca 0.57 0.18 0.16 0.00 0.43 0.00 0.00 52.55 53.89 1mx9 s ASP 4126Cb -0.49 -2.52 0.70 0.00 -0.30 0.00 0.00 42.92 40.31 1mx9 s ASP 4126CO 0.61 -1.30 1.51 0.18 -0.17 0.00 0.00 175.17 176.00 1mx9 n LEU 4127N 7.89 0.21 0.07 -1.34 4.77 -1.26 -2.13 117.00 125.21 1mx9 n LEU 4127Ca 0.09 0.56 -0.15 0.00 -0.03 0.00 0.00 56.01 56.47 1mx9 n LEU 4127Cb 0.49 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1mx9 n LEU 4127CO 0.69 -0.38 0.13 0.71 -1.33 0.00 0.00 177.39 177.21 1mx9 h THR 4128N 0.00 1.38 -4.36 -5.08 1.35 -2.00 -3.45 112.91 100.75 1mx9 h THR 4128Ca 0.00 -2.47 -0.17 0.00 -0.55 0.00 0.00 66.41 63.22 1mx9 h THR 4128Cb 0.26 2.47 0.02 0.00 -1.73 0.00 0.00 68.15 69.17 1mx9 h THR 4128CO 0.00 0.74 0.02 0.29 -0.25 0.00 0.00 175.52 176.32 1mx9 n LYS 4129N -3.75 0.51 -4.43 4.72 5.02 -0.91 -5.10 118.16 114.23 1mx9 n LYS 4129Ca -0.08 -1.05 -0.34 0.00 -2.02 0.00 0.00 58.31 54.82 1mx9 n LYS 4129Cb 0.87 -0.20 -0.11 0.00 -0.02 0.00 0.00 35.03 35.57 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 -3.25 3.34 0.07 1.97 2.36 -1.26 -4.88 119.74 118.08 1mx9 s LYS 4130Ca 0.24 -0.49 0.00 0.00 -2.55 0.00 0.00 55.97 53.17 1mx9 s LYS 4130Cb -0.02 -2.83 -0.04 0.00 -1.05 0.00 0.00 37.83 33.89 1mx9 s LYS 4130CO 0.16 0.44 -0.04 -0.80 1.55 0.00 0.00 175.35 176.65 1mx9 s ASN 4131N -0.17 0.72 -0.35 1.43 0.01 -1.26 -5.02 114.94 110.29 1mx9 s ASN 4131Ca 0.03 -0.97 0.14 0.00 -0.71 0.00 0.00 52.86 51.35 1mx9 s ASN 4131Cb -0.13 0.16 0.39 0.00 0.41 0.00 0.00 41.25 42.08 1mx9 s ASN 4131CO 0.02 -0.53 0.81 0.54 -1.51 0.00 0.00 177.10 176.43 1mx9 n ARG 4132N 0.14 1.03 -2.45 -0.60 5.12 -1.17 -4.33 116.66 114.41 1mx9 n ARG 4132Ca -0.14 -3.31 -0.37 0.00 -1.93 0.00 0.00 57.85 52.09 1mx9 n ARG 4132Cb 0.61 -1.53 -0.03 0.00 -1.16 0.00 0.00 32.46 30.34 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 -2.67 4.20 0.57 0.55 1.43 0.10 -4.35 118.68 118.51 1mx9 s LEU 4133Ca 0.35 2.17 -0.20 0.00 -1.03 0.00 0.00 54.13 55.42 1mx9 s LEU 4133Cb 0.39 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1mx9 s LEU 4133CO -0.04 -0.52 1.25 -2.16 0.23 0.00 0.00 176.35 175.11 1mx9 s PRO 4134N -2.32 3.05 -0.12 1.29 0.04 -1.26 -0.09 135.00 135.59 1mx9 s PRO 4134Ca 0.56 1.96 -0.00 0.00 0.04 0.00 0.00 61.00 63.56 1mx9 s PRO 4134Cb -0.26 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1mx9 s PRO 4134CO 0.33 -1.18 -0.11 0.08 0.04 0.00 0.00 177.00 176.16 1mx9 s VAL 4135N -1.48 3.27 -0.20 -0.36 1.01 -1.06 -1.01 120.40 120.57 1mx9 s VAL 4135Ca 0.75 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1mx9 s VAL 4135Cb -0.34 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 1mx9 s VAL 4135CO 0.38 0.53 -0.09 -0.04 0.00 0.00 0.00 175.10 175.88 1mx9 s MET 4136N 0.14 3.31 -0.25 2.72 -1.94 -0.07 0.49 119.30 123.70 1mx9 s MET 4136Ca -0.05 -0.67 -0.08 0.00 -1.71 0.00 0.00 55.69 53.18 1mx9 s MET 4136Cb -0.15 -2.86 -0.03 0.00 2.01 0.00 0.00 34.83 33.80 1mx9 s MET 4136CO 0.04 -0.13 0.08 0.08 -0.01 0.00 0.00 175.02 175.08 1mx9 s VAL 4137N 1.25 4.37 -0.21 -6.03 1.01 0.12 -0.09 120.40 120.81 1mx9 s VAL 4137Ca 0.03 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1mx9 s VAL 4137Cb -0.14 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1mx9 s VAL 4137CO -0.04 0.33 0.26 0.86 0.00 0.00 0.00 175.10 176.52 1mx9 s TRP 4138N 1.62 3.36 -0.33 5.22 -0.11 0.18 -1.14 118.94 127.74 1mx9 s TRP 4138Ca 0.06 0.42 -0.04 0.00 1.22 0.00 0.00 56.10 57.77 1mx9 s TRP 4138Cb -0.15 -2.36 0.06 0.00 -1.50 0.00 0.00 33.47 29.51 1mx9 s TRP 4138CO 0.04 0.08 0.07 0.42 -4.62 0.00 0.00 176.95 172.94 1mx9 s ILE 4139N 1.01 3.30 0.95 5.86 1.01 -0.77 -1.77 121.20 130.80 1mx9 s ILE 4139Ca 0.13 -1.40 -0.11 0.00 0.00 0.00 0.00 60.65 59.27 1mx9 s ILE 4139Cb -0.14 -2.95 0.15 0.00 0.01 0.00 0.00 42.46 39.54 1mx9 s ILE 4139CO 0.05 -0.22 1.05 0.00 0.00 0.00 0.00 174.94 175.82 1mx9 n HIS 4140N 4.68 0.42 -3.10 3.97 1.44 -1.26 -3.71 115.22 117.66 1mx9 n HIS 4140Ca -0.11 0.33 -0.14 0.00 -2.01 0.00 0.00 57.72 55.78 1mx9 n HIS 4140Cb 0.43 -1.95 0.04 0.00 0.12 0.00 0.00 29.99 28.64 1mx9 n HIS 4140CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1mx9 n GLY 4141N 0.47 2.04 0.00 -1.39 0.00 -1.22 -3.40 105.19 101.70 1mx9 n GLY 4141Ca 0.11 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.05 0.96 2.31 -0.02 0.00 -1.26 -4.33 105.19 102.79 1mx9 n GLY 4142Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 0.10 2.73 -0.02 0.00 -1.26 -1.55 105.19 105.19 1mx9 n GLY 4143Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.53 0.65 -0.08 0.99 4.77 -1.26 -4.80 117.00 114.74 1mx9 n LEU 4144Ca -0.15 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 1mx9 n LEU 4144Cb 0.57 -2.01 -0.07 0.00 -2.33 0.00 0.00 43.42 39.57 1mx9 n LEU 4144CO 0.20 -0.75 -1.05 0.23 -1.33 0.00 0.00 177.39 174.69 1mx9 n MET 4145N -0.13 0.40 -2.25 3.23 2.81 -0.60 -0.42 117.12 120.15 1mx9 n MET 4145Ca -0.01 0.11 -0.03 0.00 -1.81 0.00 0.00 57.70 55.96 1mx9 n MET 4145Cb 0.38 -1.28 -0.01 0.00 -0.71 0.00 0.00 33.22 31.61 1mx9 n MET 4145CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1mx9 n VAL 4146N -3.16 0.00 0.00 2.03 0.24 -1.09 -4.11 118.33 112.23 1mx9 n VAL 4146Ca -0.30 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1mx9 n VAL 4146Cb 0.79 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1mx9 n VAL 4146CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mx9 n GLY 4147N 2.14 3.08 3.56 7.63 0.00 -1.26 -4.43 105.19 115.91 1mx9 n GLY 4147Ca -0.01 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.66 -1.70 0.10 4.61 0.00 -1.26 -4.65 121.76 116.19 1mx9 s ALA 4148Ca 0.00 1.66 -0.14 0.00 0.00 0.00 0.00 51.96 53.48 1mx9 s ALA 4148Cb 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 23.12 22.33 1mx9 s ALA 4148CO 0.00 -0.34 1.36 0.00 0.00 0.00 0.00 175.76 176.78 1mx9 h ALA 4149N 4.25 0.37 0.00 0.00 0.00 -1.93 -3.10 119.26 118.85 1mx9 h ALA 4149Ca -0.28 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1mx9 h ALA 4149Cb 1.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1mx9 h ALA 4149CO 0.20 0.53 0.25 0.77 0.00 0.00 0.00 179.25 181.00 1mx9 h SER 4150N 0.46 0.00 -0.63 0.00 0.02 -1.92 -0.59 113.55 110.89 1mx9 h SER 4150Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1mx9 h SER 4150Cb 1.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 1mx9 h SER 4150CO 0.10 0.00 0.36 0.74 -1.14 0.00 0.00 176.83 176.90 1mx9 h THR 4151N 0.00 1.19 -3.55 -2.27 2.02 -1.92 -3.41 112.91 104.97 1mx9 h THR 4151Ca 0.00 -0.46 -0.61 0.00 0.77 0.00 0.00 66.41 66.11 1mx9 h THR 4151Cb 0.50 0.36 -0.12 0.00 -1.74 0.00 0.00 68.15 67.15 1mx9 h THR 4151CO 0.00 0.21 -0.09 -0.31 0.37 0.00 0.00 175.52 175.69 1mx9 s TYR 4152N -5.91 3.32 -0.22 3.16 1.51 -0.23 -4.07 117.35 114.91 1mx9 s TYR 4152Ca -0.13 0.64 -0.13 0.00 -1.01 0.00 0.00 57.07 56.44 1mx9 s TYR 4152Cb 0.13 -2.64 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 1mx9 s TYR 4152CO 0.77 -0.17 0.28 0.34 -1.11 0.00 0.00 175.55 175.67 1mx9 s ASP 4153N 1.34 6.28 0.00 2.29 3.68 -1.26 -4.96 116.67 124.04 1mx9 s ASP 4153Ca 0.21 0.31 0.20 0.00 2.13 0.00 0.00 52.55 55.40 1mx9 s ASP 4153Cb -0.15 -2.17 0.56 0.00 -1.45 0.00 0.00 42.92 39.71 1mx9 s ASP 4153CO 0.09 -0.01 1.45 0.61 0.13 0.00 0.00 175.17 177.44 1mx9 n GLY 4154N 4.13 1.01 0.22 2.66 0.00 -1.26 -4.51 105.19 107.44 1mx9 n GLY 4154Ca -0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 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 3.12 -0.34 0.09 0.99 5.85 -1.93 -1.23 115.31 121.85 1mx9 h LEU 4155Ca 0.00 0.15 -0.27 0.00 0.84 0.00 0.00 57.88 58.60 1mx9 h LEU 4155Cb 0.69 0.28 0.03 0.00 0.37 0.00 0.00 40.66 42.03 1mx9 h LEU 4155CO 0.00 -0.13 -1.13 0.00 -0.34 0.00 0.00 178.44 176.84 1mx9 h ALA 4156N 1.54 0.01 -0.34 1.25 0.00 -1.83 -2.04 119.26 117.86 1mx9 h ALA 4156Ca 0.29 -0.74 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1mx9 h ALA 4156Cb 0.46 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1mx9 h ALA 4156CO -0.52 0.63 -0.05 1.25 0.00 0.00 0.00 179.25 180.56 1mx9 h LEU 4157N 0.22 0.63 -0.28 0.00 5.85 -1.75 0.22 115.31 120.19 1mx9 h LEU 4157Ca -0.17 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1mx9 h LEU 4157Cb 1.81 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 1mx9 h LEU 4157CO 0.22 0.82 0.04 0.00 -0.34 0.00 0.00 178.44 179.18 1mx9 h ALA 4158N 0.82 0.37 -0.16 1.25 0.00 -1.34 -1.14 119.26 119.08 1mx9 h ALA 4158Ca 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1mx9 h ALA 4158Cb 0.53 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mx9 h ALA 4158CO 0.03 0.07 -0.08 0.00 0.00 0.00 0.00 179.25 179.27 1mx9 h ALA 4159N 0.87 0.22 0.18 0.00 0.00 -1.33 -0.80 119.26 118.40 1mx9 h ALA 4159Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1mx9 h ALA 4159Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1mx9 h ALA 4159CO 0.01 0.02 -0.09 0.45 0.00 0.00 0.00 179.25 179.65 1mx9 h HIS 4160N 0.00 -0.22 -0.16 0.00 -0.00 -0.58 -3.27 115.15 110.91 1mx9 h HIS 4160Ca 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1mx9 h HIS 4160Cb 0.55 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1mx9 h HIS 4160CO 0.06 0.14 0.00 0.39 -0.00 0.00 0.00 177.93 178.52 1mx9 n GLU 4161N -5.03 1.81 -3.41 2.45 -0.58 -0.43 -4.97 120.64 110.48 1mx9 n GLU 4161Ca -0.09 -1.21 -0.17 0.00 -0.42 0.00 0.00 57.16 55.27 1mx9 n GLU 4161Cb 0.24 -1.42 0.03 0.00 -0.57 0.00 0.00 31.44 29.72 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 0.44 -6.35 -4.06 1.62 5.15 -0.35 -5.02 115.26 106.69 1mx9 n ASN 4162Ca 0.17 -0.64 -0.08 0.00 -0.60 0.00 0.00 54.58 53.43 1mx9 n ASN 4162Cb 0.37 -4.14 -0.09 0.00 -0.53 0.00 0.00 39.78 35.38 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 -3.23 0.18 -0.29 3.44 -7.23 -0.91 -4.72 120.40 107.64 1mx9 s VAL 4163Ca 0.25 -1.72 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 1mx9 s VAL 4163Cb -0.07 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 1mx9 s VAL 4163CO 0.81 -0.80 0.42 -0.69 -0.31 0.00 0.00 175.10 174.53 1mx9 s VAL 4164N -3.94 5.13 -0.18 1.32 1.01 -0.18 -4.34 120.40 119.22 1mx9 s VAL 4164Ca 0.11 0.54 -0.09 0.00 0.00 0.00 0.00 61.98 62.54 1mx9 s VAL 4164Cb 0.07 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1mx9 s VAL 4164CO -0.07 0.06 0.12 -0.69 0.00 0.00 0.00 175.10 174.52 1mx9 s VAL 4165N 2.17 5.35 -0.19 2.92 1.01 0.25 -0.89 120.40 131.01 1mx9 s VAL 4165Ca 0.16 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1mx9 s VAL 4165Cb -0.16 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.85 1mx9 s VAL 4165CO 0.11 0.48 -0.08 -0.69 0.00 0.00 0.00 175.10 174.91 1mx9 s VAL 4166N 0.08 1.46 -0.24 2.92 1.01 0.87 -0.68 120.40 125.81 1mx9 s VAL 4166Ca 0.09 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1mx9 s VAL 4166Cb -0.11 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1mx9 s VAL 4166CO -0.01 0.15 0.13 0.42 0.00 0.00 0.00 175.10 175.79 1mx9 s THR 4167N 1.48 5.04 0.30 3.92 -4.23 -0.53 0.48 115.64 122.10 1mx9 s THR 4167Ca -0.01 0.07 0.09 0.00 -1.18 0.00 0.00 61.69 60.66 1mx9 s THR 4167Cb -0.16 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 1mx9 s THR 4167CO -0.08 0.34 0.08 0.27 -0.54 0.00 0.00 174.62 174.69 1mx9 s ILE 4168N 1.25 3.27 0.39 2.99 -4.36 -0.73 -0.62 121.20 123.40 1mx9 s ILE 4168Ca 0.06 -1.77 0.07 0.00 -0.26 0.00 0.00 60.65 58.75 1mx9 s ILE 4168Cb -0.14 -2.95 -0.08 0.00 1.25 0.00 0.00 42.46 40.54 1mx9 s ILE 4168CO 0.05 -0.27 0.00 -1.10 0.24 0.00 0.00 174.94 173.86 1mx9 s GLN 4169N -3.77 1.91 0.01 0.37 -0.21 -1.01 -4.40 119.66 112.56 1mx9 s GLN 4169Ca 0.35 -2.07 -0.28 0.00 0.02 0.00 0.00 55.36 53.38 1mx9 s GLN 4169Cb -0.04 -1.58 0.09 0.00 1.00 0.00 0.00 33.01 32.48 1mx9 s GLN 4169CO 0.22 -0.04 0.75 1.52 -2.12 0.00 0.00 175.29 175.61 1mx9 s TYR 4170N -2.75 -0.51 0.26 0.91 1.13 -1.26 -4.67 117.35 110.45 1mx9 s TYR 4170Ca 0.35 0.61 -0.31 0.00 -1.41 0.00 0.00 57.07 56.31 1mx9 s TYR 4170Cb 0.09 0.49 -0.11 0.00 -1.10 0.00 0.00 41.96 41.33 1mx9 s TYR 4170CO 0.18 -0.63 1.61 1.03 -2.51 0.00 0.00 175.55 175.23 1mx9 s ARG 4171N -2.40 4.14 0.36 -3.49 0.52 -1.26 -4.82 118.95 112.00 1mx9 s ARG 4171Ca -0.02 2.55 0.09 0.00 -0.52 0.00 0.00 55.73 57.82 1mx9 s ARG 4171Cb -0.01 -3.05 -0.06 0.00 0.52 0.00 0.00 34.95 32.35 1mx9 s ARG 4171CO -0.03 -0.65 0.00 -0.51 0.02 0.00 0.00 175.30 174.14 1mx9 s LEU 4172N 0.03 2.91 0.00 2.53 1.43 -1.26 -4.14 118.68 120.18 1mx9 s LEU 4172Ca 0.66 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1mx9 s LEU 4172Cb -0.48 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1mx9 s LEU 4172CO 0.43 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1mx9 n GLY 4173N -0.95 0.94 0.31 -3.19 0.00 0.43 -2.74 105.19 99.99 1mx9 n GLY 4173Ca -0.04 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 0.35 -0.94 -0.61 2.04 -1.93 -0.51 117.51 115.91 1mx9 h ILE 4174Ca 0.00 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.87 1mx9 h ILE 4174Cb 0.00 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.10 1mx9 h ILE 4174CO 0.00 0.04 0.60 -0.50 0.00 0.00 0.00 178.15 178.30 1mx9 h TRP 4175N 0.24 1.05 -0.00 1.37 6.55 -1.91 -1.17 115.95 122.08 1mx9 h TRP 4175Ca 0.55 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.41 1mx9 h TRP 4175Cb 1.09 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 29.05 1mx9 h TRP 4175CO -0.24 0.49 -0.82 0.41 -1.05 0.00 0.00 178.44 177.22 1mx9 n GLY 4176N -1.39 -0.66 0.00 1.49 0.00 -0.29 -4.47 105.19 99.87 1mx9 n GLY 4176Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.31 0.00 -1.72 1.61 3.72 -0.64 0.15 117.46 119.28 1mx9 n PHE 4177Ca 0.04 -0.02 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1mx9 n PHE 4177Cb 0.30 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.82 1mx9 n PHE 4177CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1mx9 n PHE 4178N -0.02 2.52 -3.76 1.38 -0.00 -0.45 -4.41 117.46 112.72 1mx9 n PHE 4178Ca 0.00 0.44 -0.13 0.00 -0.00 0.00 0.00 57.45 57.77 1mx9 n PHE 4178Cb 0.30 -2.49 -0.11 0.00 -0.00 0.00 0.00 39.48 37.18 1mx9 n PHE 4178CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1mx9 s SER 4179N 0.02 -0.32 0.00 -2.13 0.15 -1.26 -3.94 113.70 106.22 1mx9 s SER 4179Ca 0.59 0.61 0.23 0.00 0.70 0.00 0.00 55.95 58.07 1mx9 s SER 4179Cb -0.55 0.60 0.22 0.00 -1.71 0.00 0.00 66.02 64.58 1mx9 s SER 4179CO 0.57 -0.11 1.25 0.35 1.20 0.00 0.00 173.24 176.50 1mx9 n THR 4180N 3.08 0.10 -0.83 6.45 -2.24 -1.01 -4.39 114.28 115.44 1mx9 n THR 4180Ca -0.14 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1mx9 n THR 4180Cb 0.57 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 70.18 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 1.30 1.27 3.33 3.38 0.00 -1.26 -4.59 105.19 108.63 1mx9 n GLY 4181Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1mx9 n GLY 4181CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1mx9 s ASP 4182N -3.14 1.95 0.65 1.61 3.84 -1.26 -5.02 116.67 115.31 1mx9 s ASP 4182Ca 0.00 -1.76 0.21 0.00 -0.00 0.00 0.00 52.55 51.00 1mx9 s ASP 4182Cb 0.00 0.57 1.15 0.00 -1.38 0.00 0.00 42.92 43.25 1mx9 s ASP 4182CO 0.00 -1.05 1.64 1.05 -0.00 0.00 0.00 175.17 176.81 1mx9 h GLU 4183N 2.05 0.00 0.00 2.11 9.09 -1.95 -1.68 114.58 124.19 1mx9 h GLU 4183Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 1mx9 h GLU 4183Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1mx9 h GLU 4183CO 0.39 0.00 0.00 0.72 0.05 0.00 0.00 179.01 180.17 1mx9 n HIS 4184N -2.74 0.50 0.00 2.06 8.25 -1.26 -4.43 115.22 117.60 1mx9 n HIS 4184Ca -0.01 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1mx9 n HIS 4184Cb 0.55 -0.79 0.00 0.00 1.12 0.00 0.00 29.99 30.86 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 -1.94 0.00 -0.31 0.41 2.88 -0.65 -4.92 113.62 109.09 1mx9 n SER 4185Ca 0.04 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.70 1mx9 n SER 4185Cb 0.25 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.48 0.00 -1.46 3.08 -1.74 -2.69 114.38 112.05 1mx9 h ARG 4186Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1mx9 h ARG 4186Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1mx9 h ARG 4186CO 0.00 0.32 0.00 0.41 -1.07 0.00 0.00 179.97 179.63 1mx9 n GLY 4187N -1.33 0.58 2.17 0.04 0.00 -1.25 -4.64 105.19 100.76 1mx9 n GLY 4187Ca 0.22 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 -3.29 0.08 1.61 3.02 -1.25 -4.91 115.26 110.53 1mx9 n ASN 4188Ca 0.00 0.09 0.13 0.00 -0.03 0.00 0.00 54.58 54.76 1mx9 n ASN 4188Cb 0.00 -2.01 0.61 0.00 -0.61 0.00 0.00 39.78 37.78 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 0.13 -0.29 3.10 -0.00 -0.63 -1.78 115.95 116.48 1mx9 h TRP 4189Ca -0.16 0.00 -0.17 0.00 -0.00 0.00 0.00 58.89 58.57 1mx9 h TRP 4189Cb 0.79 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 29.90 1mx9 h TRP 4189CO 0.20 0.07 -0.49 0.78 -0.00 0.00 0.00 178.44 179.00 1mx9 h GLY 4190N 0.13 0.88 1.99 1.49 0.00 -0.73 -2.13 103.07 104.70 1mx9 h GLY 4190Ca 0.15 -0.98 -0.14 0.00 0.00 0.00 0.00 47.33 46.37 1mx9 h GLY 4190CO -0.02 0.88 -0.66 0.45 0.00 0.00 0.00 176.54 177.19 1mx9 h HIS 4191N 0.64 0.01 -0.32 5.60 3.86 -1.63 -2.40 115.15 120.91 1mx9 h HIS 4191Ca 0.03 -0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.08 1mx9 h HIS 4191Cb 1.07 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 1mx9 h HIS 4191CO 0.06 0.67 -0.42 -0.07 0.86 0.00 0.00 177.93 179.03 1mx9 h LEU 4192N 0.00 0.85 -1.38 2.43 3.38 -1.32 -0.58 115.31 118.70 1mx9 h LEU 4192Ca -0.01 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1mx9 h LEU 4192Cb 1.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1mx9 h LEU 4192CO 0.09 1.15 0.32 0.44 0.09 0.00 0.00 178.44 180.53 1mx9 h ASP 4193N 0.64 0.66 0.07 -0.43 3.32 -1.14 0.86 116.42 120.39 1mx9 h ASP 4193Ca 0.05 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1mx9 h ASP 4193Cb 0.98 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1mx9 h ASP 4193CO 0.09 0.51 -0.03 1.56 -1.72 0.00 0.00 179.24 179.65 1mx9 h GLN 4194N 0.76 -0.09 -0.36 3.56 4.20 -1.03 -1.24 115.11 120.91 1mx9 h GLN 4194Ca 0.20 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.99 1mx9 h GLN 4194Cb -0.02 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 1mx9 h GLN 4194CO -0.04 0.34 -0.25 0.28 -0.67 0.00 0.00 178.83 178.50 1mx9 h VAL 4195N -0.55 0.34 -0.64 -0.54 2.07 -0.84 0.21 116.25 116.31 1mx9 h VAL 4195Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1mx9 h VAL 4195Cb 0.47 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.49 1mx9 h VAL 4195CO 0.02 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.69 1mx9 h ALA 4196N 0.93 0.73 -0.68 1.67 0.00 -0.75 0.23 119.26 121.38 1mx9 h ALA 4196Ca 0.18 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1mx9 h ALA 4196Cb 0.48 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1mx9 h ALA 4196CO -0.48 -0.35 0.32 0.00 0.00 0.00 0.00 179.25 178.74 1mx9 h ALA 4197N 1.55 0.88 -0.03 0.00 0.00 0.36 0.14 119.26 122.15 1mx9 h ALA 4197Ca 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1mx9 h ALA 4197Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1mx9 h ALA 4197CO -0.48 0.45 -0.18 -0.07 0.00 0.00 0.00 179.25 178.97 1mx9 h LEU 4198N 0.95 0.05 -0.34 0.00 3.38 0.13 -1.15 115.31 118.33 1mx9 h LEU 4198Ca 0.23 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.00 1mx9 h LEU 4198Cb 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1mx9 h LEU 4198CO -0.03 0.23 -0.73 -0.09 0.09 0.00 0.00 178.44 177.91 1mx9 h ARG 4199N 0.05 0.53 -0.31 1.13 2.43 0.69 -2.68 114.38 116.21 1mx9 h ARG 4199Ca 0.01 -0.43 -0.08 0.00 -0.81 0.00 0.00 59.98 58.68 1mx9 h ARG 4199Cb 0.35 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1mx9 h ARG 4199CO 0.02 1.05 -0.13 2.35 -1.51 0.00 0.00 179.97 181.76 1mx9 h TRP 4200N 0.37 0.58 -0.57 2.20 7.01 0.02 -2.21 115.95 123.35 1mx9 h TRP 4200Ca -0.03 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 60.84 1mx9 h TRP 4200Cb 1.32 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 28.20 1mx9 h TRP 4200CO 0.06 0.65 0.21 0.28 -2.79 0.00 0.00 178.44 176.84 1mx9 h VAL 4201N 0.50 1.21 -0.06 2.65 2.07 -1.10 -1.04 116.25 120.48 1mx9 h VAL 4201Ca 0.09 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 1mx9 h VAL 4201Cb 0.52 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1mx9 h VAL 4201CO 0.03 0.27 -0.33 1.56 0.02 0.00 0.00 177.57 179.12 1mx9 h GLN 4202N 0.82 0.11 -0.02 1.57 1.08 -1.06 -0.26 115.11 117.35 1mx9 h GLN 4202Ca 0.19 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1mx9 h GLN 4202Cb 0.19 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1mx9 h GLN 4202CO -0.01 0.43 -0.24 -0.25 -0.95 0.00 0.00 178.83 177.81 1mx9 n ASP 4203N -4.12 2.27 0.00 1.46 8.00 -0.96 -4.71 116.55 118.49 1mx9 n ASP 4203Ca -0.02 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.85 1mx9 n ASP 4203Cb 0.39 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 0.49 1.91 -0.00 -2.24 3.02 -0.43 -4.71 115.26 113.30 1mx9 n ASN 4204Ca 0.10 0.00 0.23 0.00 -0.03 0.00 0.00 54.58 54.88 1mx9 n ASN 4204Cb 0.47 0.19 0.72 0.00 -0.61 0.00 0.00 39.78 40.55 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 0.39 -0.32 2.41 6.09 -1.20 -1.00 117.51 123.88 1mx9 h ILE 4205Ca 0.00 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 1mx9 h ILE 4205Cb 0.38 0.57 -0.02 0.00 0.47 0.00 0.00 36.82 38.23 1mx9 h ILE 4205CO 0.00 0.00 0.06 0.00 -3.07 0.00 0.00 178.15 175.14 1mx9 h ALA 4206N 1.44 1.52 0.00 0.18 0.00 -1.79 -0.17 119.26 120.44 1mx9 h ALA 4206Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1mx9 h ALA 4206Cb 1.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1mx9 h ALA 4206CO -0.00 0.36 0.00 0.43 0.00 0.00 0.00 179.25 180.03 1mx9 n SER 4207N -4.35 0.44 -0.92 0.00 7.64 -0.38 -1.70 113.62 114.35 1mx9 n SER 4207Ca 0.01 0.62 0.07 0.00 1.01 0.00 0.00 58.87 60.59 1mx9 n SER 4207Cb 0.19 -0.71 0.23 0.00 -1.01 0.00 0.00 64.21 62.90 1mx9 n SER 4207CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1mx9 n PHE 4208N -2.00 0.81 -0.68 1.43 3.01 -0.76 -4.75 117.46 114.52 1mx9 n PHE 4208Ca 0.02 -0.62 0.00 0.00 1.01 0.00 0.00 57.45 57.86 1mx9 n PHE 4208Cb 0.18 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 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 0.41 0.67 3.91 1.37 0.00 -0.69 -4.73 105.19 106.14 1mx9 n GLY 4209Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.99 1.49 -0.33 -0.02 0.00 -0.15 0.02 107.32 106.34 1mx9 s GLY 4210Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 44.72 44.08 1mx9 s GLY 4210CO 0.00 -0.44 0.07 0.21 0.00 0.00 0.00 173.10 172.93 1mx9 s ASN 4211N -4.12 5.05 0.49 1.64 2.47 0.87 -3.65 114.94 117.69 1mx9 s ASN 4211Ca 0.47 -1.42 0.31 0.00 0.42 0.00 0.00 52.86 52.64 1mx9 s ASN 4211Cb -0.10 -1.77 1.71 0.00 -1.45 0.00 0.00 41.25 39.64 1mx9 s ASN 4211CO 0.43 -0.34 1.96 1.55 -3.72 0.00 0.00 177.10 176.99 1mx9 h PRO 4212N 8.05 0.00 -0.32 0.43 0.13 -1.89 -1.09 132.00 137.31 1mx9 h PRO 4212Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1mx9 h PRO 4212Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1mx9 h PRO 4212CO 0.58 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 1mx9 n GLY 4213N -1.20 0.93 2.70 1.56 0.00 -1.26 -4.25 105.19 103.67 1mx9 n GLY 4213Ca -0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 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 0.79 1.26 -4.66 1.61 2.88 -0.41 -4.91 113.62 110.17 1mx9 n SER 4214Ca 0.17 -2.53 -0.40 0.00 -1.33 0.00 0.00 58.87 54.77 1mx9 n SER 4214Cb 0.42 -0.42 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -3.06 5.00 -0.05 2.46 1.01 -1.25 -2.58 120.40 121.93 1mx9 s VAL 4215Ca 0.26 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.49 1mx9 s VAL 4215Cb 0.42 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1mx9 s VAL 4215CO 0.01 0.09 -0.04 -0.89 0.00 0.00 0.00 175.10 174.28 1mx9 s THR 4216N 1.98 3.90 0.02 3.92 2.01 0.18 0.63 115.64 128.28 1mx9 s THR 4216Ca 0.30 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.87 1mx9 s THR 4216Cb -0.16 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1mx9 s THR 4216CO 0.10 0.52 -0.22 0.27 -0.69 0.00 0.00 174.62 174.61 1mx9 s ILE 4217N -0.91 2.48 -0.12 1.82 -4.36 -1.09 0.12 121.20 119.15 1mx9 s ILE 4217Ca 0.15 -1.20 -0.18 0.00 -0.26 0.00 0.00 60.65 59.15 1mx9 s ILE 4217Cb -0.11 -1.99 0.04 0.00 1.25 0.00 0.00 42.46 41.66 1mx9 s ILE 4217CO 0.04 0.41 0.47 0.72 0.24 0.00 0.00 174.94 176.82 1mx9 s PHE 4218N -0.82 -0.46 0.23 1.37 -0.71 -0.29 -0.69 117.98 116.61 1mx9 s PHE 4218Ca 0.13 1.02 -0.08 0.00 -1.04 0.00 0.00 56.93 56.96 1mx9 s PHE 4218Cb -0.10 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.88 1mx9 s PHE 4218CO 0.03 -0.34 0.36 0.20 -1.34 0.00 0.00 175.22 174.12 1mx9 s GLY 4219N -0.33 0.88 -0.00 1.99 0.00 -1.12 -1.85 107.32 106.89 1mx9 s GLY 4219Ca -0.05 -1.19 0.06 0.00 0.00 0.00 0.00 44.72 43.54 1mx9 s GLY 4219CO 0.03 -0.91 -0.18 1.85 0.00 0.00 0.00 173.10 173.88 1mx9 s GLU 4220N -4.04 1.44 6.58 2.90 -6.30 -1.24 -2.45 118.70 115.60 1mx9 s GLU 4220Ca 0.29 -0.70 0.00 0.00 -2.50 0.00 0.00 54.97 52.06 1mx9 s GLU 4220Cb 0.02 -1.42 0.00 0.00 0.00 0.00 0.00 34.13 32.73 1mx9 s GLU 4220CO 0.10 0.38 0.00 0.45 0.02 0.00 0.00 175.26 176.22 1mx9 n SER 4221N 2.48 0.00 0.19 -1.70 2.88 -0.27 -0.38 113.62 116.81 1mx9 n SER 4221Ca -0.15 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.52 1mx9 n SER 4221Cb 0.54 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.38 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 -0.71 1.00 -0.03 -1.46 0.00 -1.85 -0.98 119.26 115.23 1mx9 h ALA 4222Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mx9 h ALA 4222Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mx9 h ALA 4222CO 0.00 0.00 -0.02 0.78 0.00 0.00 0.00 179.25 180.01 1mx9 h GLY 4223N 3.52 0.07 1.03 0.00 0.00 -0.73 -0.12 103.07 106.84 1mx9 h GLY 4223Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1mx9 h GLY 4223CO 0.00 0.06 0.50 -1.33 0.00 0.00 0.00 176.54 175.77 1mx9 h GLY 4224N -0.36 1.33 1.81 4.60 0.00 -1.47 0.38 103.07 109.37 1mx9 h GLY 4224Ca 0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1mx9 h GLY 4224CO 0.01 0.57 -0.11 -2.09 0.00 0.00 0.00 176.54 174.91 1mx9 h GLU 4225N 1.24 0.23 -0.06 4.80 4.22 -1.13 0.37 114.58 124.26 1mx9 h GLU 4225Ca 0.32 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.68 1mx9 h GLU 4225Cb 0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1mx9 h GLU 4225CO -0.05 0.35 -0.05 0.77 -2.18 0.00 0.00 179.01 177.85 1mx9 h SER 4226N 0.22 0.16 -0.32 1.04 0.02 0.97 0.13 113.55 115.77 1mx9 h SER 4226Ca 0.05 -0.46 0.06 0.00 -0.84 0.00 0.00 61.79 60.59 1mx9 h SER 4226Cb 0.34 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1mx9 h SER 4226CO 0.02 0.58 -0.00 0.58 -1.14 0.00 0.00 176.83 176.87 1mx9 h VAL 4227N -0.27 0.76 -0.53 2.27 2.07 0.28 0.24 116.25 121.07 1mx9 h VAL 4227Ca 0.01 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1mx9 h VAL 4227Cb 0.53 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1mx9 h VAL 4227CO 0.01 0.02 0.26 -1.28 0.02 0.00 0.00 177.57 176.60 1mx9 h SER 4228N 0.09 0.37 0.14 0.57 0.87 -0.16 -1.00 113.55 114.43 1mx9 h SER 4228Ca 0.16 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1mx9 h SER 4228Cb 0.21 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1mx9 h SER 4228CO -0.26 0.25 -0.22 0.58 -0.53 0.00 0.00 176.83 176.65 1mx9 h VAL 4229N 0.51 1.20 0.01 2.23 2.07 0.19 -2.84 116.25 119.62 1mx9 h VAL 4229Ca 0.24 -0.94 -0.22 0.00 0.82 0.00 0.00 66.70 66.59 1mx9 h VAL 4229Cb 0.16 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1mx9 h VAL 4229CO -0.17 0.28 -0.95 -0.07 0.02 0.00 0.00 177.57 176.68 1mx9 h LEU 4230N 0.15 0.45 -2.32 2.57 3.38 -0.26 -2.55 115.31 116.73 1mx9 h LEU 4230Ca 0.03 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1mx9 h LEU 4230Cb 0.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1mx9 h LEU 4230CO 0.03 1.18 0.00 0.58 0.09 0.00 0.00 178.44 180.32 1mx9 h VAL 4231N 0.18 0.00 0.00 1.22 2.07 -0.96 -2.25 116.25 116.51 1mx9 h VAL 4231Ca -0.08 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1mx9 h VAL 4231Cb 1.60 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1mx9 h VAL 4231CO 0.16 0.00 -1.12 0.18 0.02 0.00 0.00 177.57 176.81 1mx9 n LEU 4232N -2.81 0.30 -4.78 2.57 4.77 -1.17 -2.90 117.00 112.98 1mx9 n LEU 4232Ca -0.02 -0.24 -0.38 0.00 -0.03 0.00 0.00 56.01 55.34 1mx9 n LEU 4232Cb 0.09 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1mx9 n LEU 4232CO 0.18 0.08 0.61 -0.55 -1.33 0.00 0.00 177.39 176.37 1mx9 s SER 4233N -2.90 7.38 0.24 -1.43 0.15 -0.85 -4.54 113.70 111.76 1mx9 s SER 4233Ca -0.00 1.80 0.02 0.00 0.70 0.00 0.00 55.95 58.47 1mx9 s SER 4233Cb 0.09 -2.56 0.27 0.00 -1.71 0.00 0.00 66.02 62.11 1mx9 s SER 4233CO 0.55 0.02 1.59 -0.65 1.20 0.00 0.00 173.24 175.95 1mx9 h PRO 4234N 3.53 0.39 -0.16 5.44 0.11 -1.86 -3.23 132.00 136.21 1mx9 h PRO 4234Ca -0.46 -0.22 0.01 0.00 0.11 0.00 0.00 66.00 65.44 1mx9 h PRO 4234Cb 1.19 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1mx9 h PRO 4234CO 0.66 0.80 0.11 -0.07 -0.21 0.00 0.00 178.00 179.28 1mx9 h LEU 4235N 0.31 0.14 -0.47 2.35 3.38 -1.82 -1.98 115.31 117.22 1mx9 h LEU 4235Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1mx9 h LEU 4235Cb 0.97 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1mx9 h LEU 4235CO 0.08 0.10 -0.20 0.00 0.09 0.00 0.00 178.44 178.51 1mx9 n ALA 4236N -2.53 2.96 -1.53 1.53 0.00 -1.22 -4.93 120.51 114.80 1mx9 n ALA 4236Ca -0.00 -0.38 -0.52 0.00 0.00 0.00 0.00 53.44 52.55 1mx9 n ALA 4236Cb 0.12 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 1mx9 n ALA 4236CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1mx9 n LYS 4237N -0.65 0.68 -3.22 0.00 4.81 -0.75 -0.61 118.16 118.43 1mx9 n LYS 4237Ca 0.13 0.24 -0.23 0.00 -0.87 0.00 0.00 58.31 57.58 1mx9 n LYS 4237Cb 0.33 -1.68 0.03 0.00 0.02 0.00 0.00 35.03 33.74 1mx9 n LYS 4237CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1mx9 n ASN 4238N 1.93 -5.67 -0.00 3.14 3.02 -1.26 -4.87 115.26 111.54 1mx9 n ASN 4238Ca 0.17 -0.37 0.03 0.00 -0.03 0.00 0.00 54.58 54.38 1mx9 n ASN 4238Cb 0.20 -4.57 -0.05 0.00 -0.61 0.00 0.00 39.78 34.75 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 -4.16 0.14 -4.12 3.41 4.77 0.22 -5.05 117.00 112.21 1mx9 n LEU 4239Ca -0.07 -0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 55.58 1mx9 n LEU 4239Cb 0.59 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1mx9 n LEU 4239CO 0.52 0.03 -0.01 0.72 -1.33 0.00 0.00 177.39 177.32 1mx9 s PHE 4240N -2.15 0.91 0.00 -1.77 -0.71 -1.26 -4.88 117.98 108.11 1mx9 s PHE 4240Ca -0.00 -1.15 0.00 0.00 -1.04 0.00 0.00 56.93 54.73 1mx9 s PHE 4240Cb 0.05 -0.22 0.00 0.00 -1.21 0.00 0.00 43.02 41.64 1mx9 s PHE 4240CO 0.29 -0.87 0.05 0.72 -1.34 0.00 0.00 175.22 174.07 1mx9 n HIS 4241N -0.39 0.00 -3.76 3.49 8.25 0.21 -4.91 115.22 118.10 1mx9 n HIS 4241Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 1mx9 n HIS 4241Cb 0.63 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.40 0.85 -0.08 -0.41 1.81 -1.22 -4.08 118.95 115.43 1mx9 s ARG 4242Ca 0.00 -0.64 -0.09 0.00 -1.72 0.00 0.00 55.73 53.28 1mx9 s ARG 4242Cb 0.00 0.37 0.02 0.00 -0.45 0.00 0.00 34.95 34.89 1mx9 s ARG 4242CO 0.00 -0.28 0.24 0.00 -0.68 0.00 0.00 175.30 174.58 1mx9 s ALA 4243N -3.03 -0.60 -0.09 2.13 0.00 0.39 -2.66 121.76 117.89 1mx9 s ALA 4243Ca -0.02 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 1mx9 s ALA 4243Cb 0.01 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1mx9 s ALA 4243CO -0.06 -0.14 -0.01 0.42 0.00 0.00 0.00 175.76 175.97 1mx9 s ILE 4244N -0.14 0.52 -0.17 0.00 1.01 0.13 -0.70 121.20 121.85 1mx9 s ILE 4244Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1mx9 s ILE 4244Cb -0.03 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 1mx9 s ILE 4244CO 0.01 0.23 -0.06 -0.44 0.00 0.00 0.00 174.94 174.68 1mx9 s SER 4245N 1.91 4.47 -0.25 3.58 0.01 -0.04 -2.81 113.70 120.58 1mx9 s SER 4245Ca 0.04 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.07 1mx9 s SER 4245Cb -0.13 -1.73 0.06 0.00 0.21 0.00 0.00 66.02 64.42 1mx9 s SER 4245CO -0.06 0.10 -0.10 -1.61 0.41 0.00 0.00 173.24 171.98 1mx9 s GLU 4246N 0.74 2.12 -1.04 12.44 2.02 -1.03 -1.34 118.70 132.62 1mx9 s GLU 4246Ca -0.02 -1.22 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 1mx9 s GLU 4246Cb -0.15 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1mx9 s GLU 4246CO 0.02 -0.55 0.87 0.43 0.02 0.00 0.00 175.26 176.05 1mx9 n SER 4247N 4.51 -2.67 0.00 -0.19 7.64 0.12 -1.12 113.62 121.91 1mx9 n SER 4247Ca -0.14 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1mx9 n SER 4247Cb 0.43 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.23 1mx9 n SER 4247CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mx9 n GLY 4248N -1.23 2.27 3.48 0.23 0.00 -1.26 -2.86 105.19 105.82 1mx9 n GLY 4248Ca -0.20 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1mx9 n GLY 4248CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx9 s VAL 4249N -0.31 0.00 -1.63 1.61 -7.23 -1.26 -3.18 120.40 108.39 1mx9 s VAL 4249Ca 0.00 -1.59 0.17 0.00 -1.81 0.00 0.00 61.98 58.75 1mx9 s VAL 4249Cb 0.00 -2.39 0.36 0.00 0.56 0.00 0.00 36.38 34.91 1mx9 s VAL 4249CO 0.00 0.00 1.47 0.00 -0.31 0.00 0.00 175.10 176.26 1mx9 n ALA 4250N -0.41 2.00 -1.01 1.32 0.00 -1.26 -2.28 120.51 118.87 1mx9 n ALA 4250Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 1mx9 n ALA 4250Cb 0.63 -1.27 0.34 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.18 5.81 -3.78 0.00 4.77 -1.26 -4.65 117.00 116.71 1mx9 n LEU 4251Ca 0.10 -3.13 -0.42 0.00 -0.03 0.00 0.00 56.01 52.53 1mx9 n LEU 4251Cb 0.11 -0.71 0.01 0.00 -2.33 0.00 0.00 43.42 40.49 1mx9 n LEU 4251CO 0.12 0.75 1.54 0.41 -1.33 0.00 0.00 177.39 178.88 1mx9 n THR 4252N 0.05 5.49 -0.00 -5.08 -1.04 -0.96 -4.80 114.28 107.93 1mx9 n THR 4252Ca 0.35 -5.52 0.00 0.00 -2.04 0.00 0.00 64.05 56.85 1mx9 n THR 4252Cb 1.29 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 1mx9 n THR 4252CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1mx9 n SER 4253N 1.21 0.00 0.18 8.00 3.41 -1.26 0.10 113.62 125.26 1mx9 n SER 4253Ca 0.41 0.01 0.06 0.00 -0.26 0.00 0.00 58.87 59.08 1mx9 n SER 4253Cb 0.30 -0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.82 0.00 -3.33 3.04 -1.81 -3.09 116.25 111.87 1mx9 h VAL 4254Ca 0.01 -1.63 0.00 0.00 -1.01 0.00 0.00 66.70 64.06 1mx9 h VAL 4254Cb 0.02 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1mx9 h VAL 4254CO -0.00 0.37 -0.70 0.18 -1.01 0.00 0.00 177.57 176.42 1mx9 n LEU 4255N -3.42 0.65 -4.14 3.16 4.77 0.29 -4.84 117.00 113.47 1mx9 n LEU 4255Ca 0.00 -0.13 -0.32 0.00 -0.03 0.00 0.00 56.01 55.53 1mx9 n LEU 4255Cb 0.55 -0.16 -0.16 0.00 -2.33 0.00 0.00 43.42 41.32 1mx9 n LEU 4255CO 0.37 0.15 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.35 1mx9 s VAL 4256N -3.03 2.02 -0.37 4.08 1.01 -1.17 -1.89 120.40 121.05 1mx9 s VAL 4256Ca 0.09 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1mx9 s VAL 4256Cb 0.17 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 1mx9 s VAL 4256CO 0.76 0.54 0.31 -0.54 0.00 0.00 0.00 175.10 176.16 1mx9 s LYS 4257N 1.08 3.35 0.39 2.72 -0.14 -0.69 -4.76 119.74 121.68 1mx9 s LYS 4257Ca -0.01 -0.69 0.08 0.00 -1.36 0.00 0.00 55.97 53.99 1mx9 s LYS 4257Cb -0.14 -3.86 -0.03 0.00 -1.68 0.00 0.00 37.83 32.11 1mx9 s LYS 4257CO -0.08 -0.58 0.28 0.15 -0.76 0.00 0.00 175.35 174.36 1mx9 s LYS 4258N 1.83 2.47 1.45 1.68 3.01 -1.26 -4.24 119.74 124.69 1mx9 s LYS 4258Ca 0.08 -1.56 0.00 0.00 -1.01 0.00 0.00 55.97 53.48 1mx9 s LYS 4258Cb -0.18 -2.28 0.00 0.00 -1.01 0.00 0.00 37.83 34.37 1mx9 s LYS 4258CO 0.11 -0.08 0.00 0.41 0.51 0.00 0.00 175.35 176.30 1mx9 n GLY 4259N -1.38 -1.69 3.67 -3.33 0.00 -1.26 -4.76 105.19 96.44 1mx9 n GLY 4259Ca 0.01 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 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 7.15 0.00 1.61 2.15 -1.26 -4.90 116.67 117.42 1mx9 s ASP 4260Ca 0.00 1.42 0.24 0.00 0.43 0.00 0.00 52.55 54.64 1mx9 s ASP 4260Cb 0.00 -2.54 0.21 0.00 -0.30 0.00 0.00 42.92 40.29 1mx9 s ASP 4260CO 0.00 -0.52 1.21 1.33 -0.17 0.00 0.00 175.17 177.02 1mx9 n VAL 4261N 4.87 0.00 -0.21 1.11 0.24 -1.26 -4.51 118.33 118.56 1mx9 n VAL 4261Ca 0.09 -0.12 0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1mx9 n VAL 4261Cb 0.48 0.81 0.12 0.00 -1.47 0.00 0.00 33.84 33.78 1mx9 n VAL 4261CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1mx9 h LYS 4262N 1.10 0.35 -0.92 7.34 1.63 -1.84 -2.45 116.57 121.79 1mx9 h LYS 4262Ca 0.00 -0.02 0.24 0.00 -0.85 0.00 0.00 60.65 60.02 1mx9 h LYS 4262Cb 0.59 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.08 1mx9 h LYS 4262CO 0.00 0.23 0.63 -1.35 -3.45 0.00 0.00 179.45 175.51 1mx9 h PRO 4263N 0.36 0.23 0.08 1.90 0.11 -1.96 0.11 132.00 132.83 1mx9 h PRO 4263Ca 0.33 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 66.17 1mx9 h PRO 4263Cb 0.45 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.52 1mx9 h PRO 4263CO -0.36 0.15 -1.11 1.25 -0.21 0.00 0.00 178.00 177.72 1mx9 h LEU 4264N 0.23 0.55 -0.11 2.35 6.46 -1.78 -2.76 115.31 120.26 1mx9 h LEU 4264Ca 0.47 -0.50 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1mx9 h LEU 4264Cb 1.45 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.19 1mx9 h LEU 4264CO -0.12 1.34 -0.00 0.00 -0.62 0.00 0.00 178.44 179.04 1mx9 h ALA 4265N 0.60 0.09 -0.69 1.25 0.00 -0.71 -1.44 119.26 118.36 1mx9 h ALA 4265Ca -0.12 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1mx9 h ALA 4265Cb 1.79 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1mx9 h ALA 4265CO 0.19 -0.46 0.25 0.93 0.00 0.00 0.00 179.25 180.16 1mx9 h GLU 4266N 0.03 1.04 0.66 0.00 5.08 -1.32 -1.45 114.58 118.61 1mx9 h GLU 4266Ca 0.05 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1mx9 h GLU 4266Cb 0.06 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1mx9 h GLU 4266CO -0.09 0.86 -0.45 0.37 -1.00 0.00 0.00 179.01 178.71 1mx9 h GLN 4267N 1.01 -1.01 -0.89 2.33 4.15 -1.11 0.16 115.11 119.74 1mx9 h GLN 4267Ca 0.23 0.07 0.11 0.00 0.77 0.00 0.00 58.65 59.83 1mx9 h GLN 4267Cb 0.23 0.23 -0.08 0.00 0.21 0.00 0.00 27.48 28.07 1mx9 h GLN 4267CO -0.02 -0.67 0.52 0.82 -1.93 0.00 0.00 178.83 177.55 1mx9 h ILE 4268N -1.05 0.89 -0.55 2.39 2.04 -1.19 0.30 117.51 120.35 1mx9 h ILE 4268Ca -0.08 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 1mx9 h ILE 4268Cb 0.86 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1mx9 h ILE 4268CO 0.06 0.15 0.06 0.00 0.00 0.00 0.00 178.15 178.42 1mx9 h ALA 4269N 1.49 0.74 -0.21 1.87 0.00 -0.91 -0.53 119.26 121.71 1mx9 h ALA 4269Ca 0.44 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1mx9 h ALA 4269Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1mx9 h ALA 4269CO -0.27 0.51 0.04 0.82 0.00 0.00 0.00 179.25 180.36 1mx9 h ILE 4270N 0.82 1.21 -0.57 0.00 2.04 -0.02 0.23 117.51 121.22 1mx9 h ILE 4270Ca 0.16 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.40 1mx9 h ILE 4270Cb 0.46 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1mx9 h ILE 4270CO 0.02 0.22 0.25 0.74 0.00 0.00 0.00 178.15 179.37 1mx9 h THR 4271N 0.15 0.85 0.00 -0.27 2.02 -0.78 0.15 112.91 115.04 1mx9 h THR 4271Ca 0.07 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1mx9 h THR 4271Cb 0.29 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1mx9 h THR 4271CO 0.00 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.98 1mx9 n ALA 4272N -2.41 1.61 -1.13 6.16 0.00 -0.22 -4.90 120.51 119.62 1mx9 n ALA 4272Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1mx9 n ALA 4272Cb 0.21 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.11 0.62 2.86 0.00 0.00 0.51 -5.07 105.19 104.01 1mx9 n GLY 4273Ca 0.02 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 1mx9 n GLY 4273CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 n LYS 4275N 3.80 0.28 -0.89 0.00 4.76 -1.26 -4.01 118.16 120.84 1mx9 n LYS 4275Ca -0.22 0.16 -0.06 0.00 -2.87 0.00 0.00 58.31 55.33 1mx9 n LYS 4275Cb 0.54 -2.33 0.19 0.00 -1.84 0.00 0.00 35.03 31.58 1mx9 n LYS 4275CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1mx9 n THR 4276N -3.02 2.56 0.01 -0.18 -2.24 -1.26 -4.44 114.28 105.70 1mx9 n THR 4276Ca 0.13 -2.93 -0.11 0.00 -2.27 0.00 0.00 64.05 58.87 1mx9 n THR 4276Cb 0.50 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 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 1.08 0.00 -4.04 4.28 2.02 -1.95 -3.45 112.91 110.85 1mx9 h THR 4277Ca 0.22 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 67.03 1mx9 h THR 4277Cb 1.56 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.83 1mx9 h THR 4277CO 0.41 0.00 -0.58 0.42 0.37 0.00 0.00 175.52 176.14 1mx9 s THR 4278N -4.94 0.32 0.11 3.16 -4.23 -1.26 -5.03 115.64 103.77 1mx9 s THR 4278Ca -0.11 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.20 1mx9 s THR 4278Cb 0.05 -2.54 -0.07 0.00 1.34 0.00 0.00 72.50 71.28 1mx9 s THR 4278CO 0.44 0.00 1.73 0.28 -0.54 0.00 0.00 174.62 176.52 1mx9 h SER 4279N 2.32 0.26 -0.51 3.99 0.02 -1.95 -1.90 113.55 115.78 1mx9 h SER 4279Ca -0.35 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.56 1mx9 h SER 4279Cb 1.25 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1mx9 h SER 4279CO 0.54 0.25 0.30 0.00 -1.14 0.00 0.00 176.83 176.78 1mx9 h ALA 4280N 1.02 0.65 -0.62 3.77 0.00 -1.97 0.12 119.26 122.23 1mx9 h ALA 4280Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1mx9 h ALA 4280Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1mx9 h ALA 4280CO -0.01 0.01 0.34 0.28 0.00 0.00 0.00 179.25 179.86 1mx9 h VAL 4281N 0.61 1.19 0.65 0.00 2.07 -1.91 0.83 116.25 119.68 1mx9 h VAL 4281Ca 0.20 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1mx9 h VAL 4281Cb 0.02 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1mx9 h VAL 4281CO -0.09 0.21 -0.31 -0.03 0.02 0.00 0.00 177.57 177.37 1mx9 h MET 4282N 0.86 -0.84 -0.44 1.57 4.05 -0.51 -1.65 114.93 117.97 1mx9 h MET 4282Ca 0.22 0.06 0.11 0.00 -0.28 0.00 0.00 59.70 59.81 1mx9 h MET 4282Cb 0.02 0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1mx9 h MET 4282CO -0.04 -0.54 0.31 0.28 0.23 0.00 0.00 176.91 177.15 1mx9 h VAL 4283N -1.21 0.82 0.16 -5.77 2.07 -0.66 -1.11 116.25 110.55 1mx9 h VAL 4283Ca -0.09 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1mx9 h VAL 4283Cb 0.68 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1mx9 h VAL 4283CO 0.15 0.02 -0.08 -0.74 0.02 0.00 0.00 177.57 176.93 1mx9 h HIS 4284N 0.09 -0.20 -0.29 1.57 -0.00 -0.78 -2.59 115.15 112.95 1mx9 h HIS 4284Ca 0.21 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.62 1mx9 h HIS 4284Cb 0.71 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.17 1mx9 h HIS 4284CO -0.00 0.24 0.20 0.00 -0.00 0.00 0.00 177.93 178.36 1mx9 h LEU 4286N 0.20 0.00 0.00 0.00 3.38 -1.24 -2.76 115.31 114.89 1mx9 h LEU 4286Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1mx9 h LEU 4286Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1mx9 h LEU 4286CO -0.02 0.29 -0.30 0.03 0.09 0.00 0.00 178.44 178.53 1mx9 h ARG 4287N 0.00 0.00 0.00 1.13 3.08 -0.78 -3.19 114.38 114.62 1mx9 h ARG 4287Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1mx9 h ARG 4287Cb 0.97 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1mx9 h ARG 4287CO 0.04 0.00 -0.84 1.96 -1.07 0.00 0.00 179.97 180.06 1mx9 h GLN 4288N 0.00 0.00 -7.01 0.04 1.08 -1.14 -3.46 115.11 104.62 1mx9 h GLN 4288Ca 0.00 -0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 1mx9 h GLN 4288Cb 0.80 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 28.34 1mx9 h GLN 4288CO 0.00 0.84 0.63 0.15 -0.95 0.00 0.00 178.83 179.49 1mx9 s LYS 4289N -3.10 3.52 0.72 1.46 -0.14 -1.17 -5.01 119.74 116.02 1mx9 s LYS 4289Ca 0.00 2.24 -0.11 0.00 -1.36 0.00 0.00 55.97 56.73 1mx9 s LYS 4289Cb 0.11 -2.49 0.02 0.00 -1.68 0.00 0.00 37.83 33.80 1mx9 s LYS 4289CO 0.80 -0.89 1.08 0.95 -0.76 0.00 0.00 175.35 176.53 1mx9 s THR 4290N -1.29 3.62 0.14 2.17 -4.23 -1.26 -4.86 115.64 109.93 1mx9 s THR 4290Ca 0.65 0.53 -0.24 0.00 -1.18 0.00 0.00 61.69 61.44 1mx9 s THR 4290Cb -0.40 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.06 1mx9 s THR 4290CO 0.49 -0.69 1.62 -0.08 -0.54 0.00 0.00 174.62 175.43 1mx9 h GLU 4291N -0.77 -0.31 -0.87 3.99 4.81 -1.98 -1.68 114.58 117.76 1mx9 h GLU 4291Ca -0.45 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.85 1mx9 h GLU 4291Cb 1.24 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 1mx9 h GLU 4291CO 0.61 -0.21 0.57 1.49 -0.73 0.00 0.00 179.01 180.74 1mx9 h GLU 4292N -0.32 1.01 -0.42 1.92 4.57 -1.98 -0.15 114.58 119.20 1mx9 h GLU 4292Ca 0.11 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1mx9 h GLU 4292Cb 0.49 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1mx9 h GLU 4292CO -0.35 0.67 0.23 0.93 -1.18 0.00 0.00 179.01 179.31 1mx9 h GLU 4293N 1.04 0.59 -0.36 1.92 5.08 -1.75 -1.00 114.58 120.09 1mx9 h GLU 4293Ca 0.36 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1mx9 h GLU 4293Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1mx9 h GLU 4293CO -0.12 0.47 0.08 -0.07 -1.00 0.00 0.00 179.01 178.37 1mx9 h LEU 4294N 0.55 0.56 -0.99 1.33 3.38 -0.58 -2.49 115.31 117.06 1mx9 h LEU 4294Ca 0.15 -0.24 0.16 0.00 0.09 0.00 0.00 57.88 58.04 1mx9 h LEU 4294Cb 0.05 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 1mx9 h LEU 4294CO -0.02 0.65 0.60 0.25 0.09 0.00 0.00 178.44 180.01 1mx9 h LEU 4295N 0.44 0.83 -1.60 1.67 5.85 -0.75 0.37 115.31 122.11 1mx9 h LEU 4295Ca 0.11 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1mx9 h LEU 4295Cb 0.31 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1mx9 h LEU 4295CO 0.00 0.37 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.92 1mx9 h GLU 4296N 0.85 0.00 0.07 1.25 5.08 -0.76 -1.21 114.58 119.86 1mx9 h GLU 4296Ca 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1mx9 h GLU 4296Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1mx9 h GLU 4296CO -0.33 0.21 -0.03 1.15 -1.00 0.00 0.00 179.01 179.01 1mx9 h THR 4297N 0.00 1.22 -0.57 1.13 2.02 -0.03 -2.13 112.91 114.55 1mx9 h THR 4297Ca -0.00 -1.42 0.10 0.00 0.77 0.00 0.00 66.41 65.86 1mx9 h THR 4297Cb 0.46 2.08 -0.11 0.00 -1.74 0.00 0.00 68.15 68.85 1mx9 h THR 4297CO 0.03 0.33 -0.31 0.74 0.37 0.00 0.00 175.52 176.68 1mx9 h THR 4298N -0.78 0.20 -0.97 3.16 2.02 -0.67 0.22 112.91 116.08 1mx9 h THR 4298Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 1mx9 h THR 4298Cb 0.61 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 1mx9 h THR 4298CO 0.02 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.46 1mx9 h LEU 4299N -0.15 0.96 -0.65 2.58 3.38 -1.25 -1.87 115.31 118.31 1mx9 h LEU 4299Ca 0.24 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1mx9 h LEU 4299Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1mx9 h LEU 4299CO -0.66 0.59 -0.36 0.11 0.09 0.00 0.00 178.44 178.21 1mx9 h LYS 4300N 1.08 0.00 0.00 1.13 1.57 -0.01 -2.80 116.57 117.53 1mx9 h LYS 4300Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1mx9 h LYS 4300Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1mx9 h LYS 4300CO -0.19 0.36 0.00 0.52 -0.57 0.00 0.00 179.45 179.58 1mx9 h MET 4301N 0.00 0.00 -6.26 3.15 2.86 0.13 -3.47 114.93 111.34 1mx9 h MET 4301Ca -0.00 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.26 1mx9 h MET 4301Cb 1.02 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.72 1mx9 h MET 4301CO 0.05 0.00 -0.81 1.63 1.06 0.00 0.00 176.91 178.83 1mx9 n LYS 4302N -2.87 -1.24 -1.90 1.72 5.02 -1.06 -4.97 118.16 112.86 1mx9 n LYS 4302Ca 0.02 0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 56.70 1mx9 n LYS 4302Cb 0.33 -3.82 0.02 0.00 -0.02 0.00 0.00 35.03 31.55 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 -3.26 3.52 -1.85 2.13 2.99 -1.26 -4.04 117.98 116.21 1mx9 s PHE 4303Ca 0.27 1.18 0.00 0.00 0.00 0.00 0.00 56.93 58.38 1mx9 s PHE 4303Cb -0.10 -2.83 0.00 0.00 0.00 0.00 0.00 43.02 40.09 1mx9 s PHE 4303CO 0.86 -0.85 0.00 1.28 -0.00 0.00 0.00 175.22 176.51 1mx9 n LEU 4304N -2.82 -1.68 -3.97 -0.37 7.99 0.30 -4.98 117.00 111.47 1mx9 n LEU 4304Ca 0.06 0.20 -0.15 0.00 -0.01 0.00 0.00 56.01 56.11 1mx9 n LEU 4304Cb 0.55 -2.75 -0.14 0.00 -0.11 0.00 0.00 43.42 40.98 1mx9 n LEU 4304CO 0.58 -0.57 -0.40 -0.55 -1.51 0.00 0.00 177.39 174.94 1mx9 s SER 4305N -2.42 0.63 -0.36 -1.43 0.15 -1.26 -4.18 113.70 104.83 1mx9 s SER 4305Ca 0.00 -0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.19 1mx9 s SER 4305Cb 0.00 -0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1mx9 s SER 4305CO 0.00 0.02 1.31 -0.22 1.20 0.00 0.00 173.24 175.55 1mx9 s LEU 4306N -0.36 3.76 -0.43 3.45 2.96 -0.68 -4.87 118.68 122.50 1mx9 s LEU 4306Ca -0.00 1.00 -0.28 0.00 -0.22 0.00 0.00 54.13 54.63 1mx9 s LEU 4306Cb -0.03 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 1mx9 s LEU 4306CO -0.00 -1.21 1.69 -0.62 -1.32 0.00 0.00 176.35 174.89 1mx9 s ASP 4307N 3.10 5.88 -0.07 3.68 3.68 -1.26 -4.84 116.67 126.83 1mx9 s ASP 4307Ca 0.57 0.90 -0.23 0.00 2.13 0.00 0.00 52.55 55.92 1mx9 s ASP 4307Cb -0.14 -2.53 -0.30 0.00 -1.45 0.00 0.00 42.92 38.49 1mx9 s ASP 4307CO 0.27 -1.79 0.83 -0.07 0.13 0.00 0.00 175.17 174.54 1mx9 h LEU 4308N 13.89 0.37 -9.61 -1.34 3.38 -1.92 -3.47 115.31 116.61 1mx9 h LEU 4308Ca -0.30 -0.95 -0.51 0.00 0.09 0.00 0.00 57.88 56.21 1mx9 h LEU 4308Cb 1.15 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1mx9 h LEU 4308CO 1.10 1.34 0.36 -1.58 0.09 0.00 0.00 178.44 179.75 1mx9 s GLN 4309N -2.39 4.74 0.00 1.13 0.74 -1.26 -4.93 119.66 117.68 1mx9 s GLN 4309Ca -0.15 1.46 0.00 0.00 0.05 0.00 0.00 55.36 56.72 1mx9 s GLN 4309Cb 0.01 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.76 1mx9 s GLN 4309CO 0.80 0.28 0.00 0.41 -0.55 0.00 0.00 175.29 176.23 1mx9 n GLY 4310N 2.07 -0.68 3.62 2.59 0.00 -1.26 -4.86 105.19 106.67 1mx9 n GLY 4310Ca 0.01 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.66 5.98 0.24 1.61 -1.08 -1.26 -4.89 116.67 115.60 1mx9 s ASP 4311Ca 0.00 1.94 -0.04 0.00 -0.52 0.00 0.00 52.55 53.93 1mx9 s ASP 4311Cb 0.00 -2.52 0.44 0.00 -1.46 0.00 0.00 42.92 39.38 1mx9 s ASP 4311CO 0.00 -1.54 1.76 -0.65 0.52 0.00 0.00 175.17 175.26 1mx9 h PRO 4312N 12.65 0.56 0.00 4.34 0.11 -1.89 -1.61 132.00 146.16 1mx9 h PRO 4312Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1mx9 h PRO 4312Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1mx9 h PRO 4312CO 0.97 0.37 0.00 0.54 -0.21 0.00 0.00 178.00 179.67 1mx9 n ARG 4313N -4.90 0.07 -2.69 1.05 1.74 -1.26 -2.55 116.66 108.13 1mx9 n ARG 4313Ca 0.14 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.03 1mx9 n ARG 4313Cb 0.37 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 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 -0.76 2.19 -3.95 5.56 1.02 -0.61 -5.04 120.64 119.06 1mx9 n GLU 4314Ca 0.01 -3.91 -0.20 0.00 -0.02 0.00 0.00 57.16 53.05 1mx9 n GLU 4314Cb 0.00 -1.78 -0.17 0.00 -0.02 0.00 0.00 31.44 29.48 1mx9 n GLU 4314CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1mx9 s SER 4315N -3.23 0.93 -0.64 1.62 0.01 -1.06 -4.95 113.70 106.38 1mx9 s SER 4315Ca 0.39 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.47 1mx9 s SER 4315Cb 0.41 -0.35 0.17 0.00 0.21 0.00 0.00 66.02 66.45 1mx9 s SER 4315CO -0.08 -0.12 0.54 -1.58 0.41 0.00 0.00 173.24 172.42 1mx9 s GLN 4316N 1.28 2.98 0.62 12.44 2.00 -1.26 -4.82 119.66 132.91 1mx9 s GLN 4316Ca -0.06 -2.17 0.36 0.00 -2.00 0.00 0.00 55.36 51.49 1mx9 s GLN 4316Cb -0.13 -4.13 2.06 0.00 0.80 0.00 0.00 33.01 31.61 1mx9 s GLN 4316CO -0.02 -1.25 2.30 -1.00 -0.50 0.00 0.00 175.29 174.82 1mx9 h PRO 4317N 7.98 0.00 -1.50 1.67 0.13 -1.91 -3.45 132.00 134.92 1mx9 h PRO 4317Ca -0.07 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.23 1mx9 h PRO 4317Cb 1.04 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.95 1mx9 h PRO 4317CO 0.82 0.00 0.70 -0.48 -0.23 0.00 0.00 178.00 178.82 1mx9 s LEU 4318N -7.05 -0.23 0.08 1.56 0.05 -1.26 0.11 118.68 111.93 1mx9 s LEU 4318Ca -0.05 0.17 -0.25 0.00 0.05 0.00 0.00 54.13 54.05 1mx9 s LEU 4318Cb 0.14 1.58 -0.06 0.00 -2.05 0.00 0.00 46.19 45.80 1mx9 s LEU 4318CO 0.49 -0.27 0.77 -0.76 -0.55 0.00 0.00 176.35 176.03 1mx9 s LEU 4319N -1.51 4.49 0.00 1.48 1.43 -1.26 -5.02 118.68 118.29 1mx9 s LEU 4319Ca 0.04 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1mx9 s LEU 4319Cb -0.01 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1mx9 s LEU 4319CO -0.03 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1mx9 n GLY 4320N 2.16 5.41 3.69 -3.19 0.00 -1.26 -4.81 105.19 107.19 1mx9 n GLY 4320Ca -0.03 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.34 2.20 0.11 2.61 2.01 -0.79 -4.73 115.64 116.71 1mx9 s THR 4321Ca 0.00 0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 1mx9 s THR 4321Cb 0.00 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1mx9 s THR 4321CO 0.00 -0.08 0.30 0.68 -0.69 0.00 0.00 174.62 174.82 1mx9 s VAL 4322N -2.58 0.11 -1.29 3.82 -7.23 -1.26 -1.71 120.40 110.25 1mx9 s VAL 4322Ca 0.67 -0.89 -0.16 0.00 -1.81 0.00 0.00 61.98 59.80 1mx9 s VAL 4322Cb -0.23 -1.27 0.10 0.00 0.56 0.00 0.00 36.38 35.54 1mx9 s VAL 4322CO 0.56 -0.48 1.70 -0.38 -0.31 0.00 0.00 175.10 176.20 1mx9 n ILE 4323N -0.15 4.01 0.03 -0.62 2.08 -1.26 -4.74 119.36 118.71 1mx9 n ILE 4323Ca -0.15 -4.20 -0.01 0.00 0.56 0.00 0.00 62.75 58.95 1mx9 n ILE 4323Cb 0.63 -2.40 0.29 0.00 -0.75 0.00 0.00 39.64 37.40 1mx9 n ILE 4323CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1mx9 h ASP 4324N 7.23 0.44 0.00 4.38 -0.00 -1.82 -3.47 116.42 123.18 1mx9 h ASP 4324Ca 0.42 -0.10 0.00 0.00 -0.00 0.00 0.00 57.03 57.35 1mx9 h ASP 4324Cb 0.84 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 40.05 1mx9 h ASP 4324CO 1.44 0.58 0.00 0.61 -0.00 0.00 0.00 179.24 181.87 1mx9 n GLY 4325N -0.73 0.40 0.49 7.15 0.00 -0.64 -4.89 105.19 106.96 1mx9 n GLY 4325Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.48 0.33 -0.07 1.61 2.81 -1.26 -4.67 117.12 114.40 1mx9 n MET 4326Ca 0.00 0.14 -0.17 0.00 -1.81 0.00 0.00 57.70 55.86 1mx9 n MET 4326Cb 0.00 -1.07 -0.13 0.00 -0.71 0.00 0.00 33.22 31.31 1mx9 n MET 4326CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mx9 h LEU 4327N -0.59 0.06 -7.80 4.03 5.85 -1.94 -3.42 115.31 111.50 1mx9 h LEU 4327Ca -0.27 -0.83 -0.62 0.00 0.84 0.00 0.00 57.88 56.99 1mx9 h LEU 4327Cb 1.09 -0.02 -0.37 0.00 0.37 0.00 0.00 40.66 41.73 1mx9 h LEU 4327CO -0.16 1.23 -0.81 -0.76 -0.34 0.00 0.00 178.44 177.59 1mx9 s LEU 4328N -8.04 2.37 0.12 2.25 1.43 -1.26 -3.88 118.68 111.67 1mx9 s LEU 4328Ca -0.22 -0.93 0.09 0.00 -1.03 0.00 0.00 54.13 52.04 1mx9 s LEU 4328Cb 0.01 -1.26 -0.18 0.00 0.03 0.00 0.00 46.19 44.79 1mx9 s LEU 4328CO 0.68 -0.15 1.21 -0.07 0.23 0.00 0.00 176.35 178.25 1mx9 h LEU 4329N 7.96 0.00 0.00 1.79 3.38 -1.86 -1.71 115.31 124.86 1mx9 h LEU 4329Ca -0.27 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.47 1mx9 h LEU 4329Cb 1.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 1mx9 h LEU 4329CO 0.48 0.92 -0.21 0.29 0.09 0.00 0.00 178.44 180.02 1mx9 n LYS 4330N -3.28 0.52 -2.59 1.13 5.02 -1.26 -4.79 118.16 112.90 1mx9 n LYS 4330Ca -0.02 -1.50 -0.31 0.00 -2.02 0.00 0.00 58.31 54.45 1mx9 n LYS 4330Cb 0.93 0.99 -0.03 0.00 -0.02 0.00 0.00 35.03 36.90 1mx9 n LYS 4330CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mx9 s THR 4331N -2.38 4.65 0.34 -0.18 -4.23 -1.26 -4.85 115.64 107.72 1mx9 s THR 4331Ca 0.13 0.95 0.12 0.00 -1.18 0.00 0.00 61.69 61.71 1mx9 s THR 4331Cb 0.01 -3.73 0.33 0.00 1.34 0.00 0.00 72.50 70.45 1mx9 s THR 4331CO 0.09 -0.62 1.72 -0.65 -0.54 0.00 0.00 174.62 174.62 1mx9 h PRO 4332N 1.05 0.49 -0.56 3.99 0.11 -1.99 0.21 132.00 135.30 1mx9 h PRO 4332Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1mx9 h PRO 4332Cb 1.19 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1mx9 h PRO 4332CO 0.62 0.32 0.28 0.93 -0.21 0.00 0.00 178.00 179.94 1mx9 h GLU 4333N 0.50 0.80 0.00 1.05 3.07 -1.92 -2.39 114.58 115.70 1mx9 h GLU 4333Ca 0.66 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 59.30 1mx9 h GLU 4333Cb 1.37 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 1mx9 h GLU 4333CO -0.48 0.65 -0.53 0.93 -1.40 0.00 0.00 179.01 178.19 1mx9 h GLU 4334N 0.76 0.00 -0.04 2.33 5.08 -1.09 -2.86 114.58 118.76 1mx9 h GLU 4334Ca 0.19 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 1mx9 h GLU 4334Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1mx9 h GLU 4334CO -0.03 0.53 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.76 1mx9 h LEU 4335N 0.00 0.23 0.00 1.33 3.38 -0.37 -2.59 115.31 117.29 1mx9 h LEU 4335Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1mx9 h LEU 4335Cb 1.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1mx9 h LEU 4335CO 0.07 0.84 -1.16 0.00 0.09 0.00 0.00 178.44 178.27 1mx9 n GLN 4336N -3.81 0.60 -0.02 1.13 10.64 -0.94 -3.14 117.38 121.85 1mx9 n GLN 4336Ca -0.02 0.07 -0.12 0.00 -1.83 0.00 0.00 57.00 55.09 1mx9 n GLN 4336Cb 0.67 -1.77 -0.08 0.00 -0.86 0.00 0.00 30.24 28.20 1mx9 n GLN 4336CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1mx9 h ALA 4337N 2.03 0.06 -2.72 2.61 0.00 -1.50 -3.28 119.26 116.46 1mx9 h ALA 4337Ca 0.00 -0.19 -0.78 0.00 0.00 0.00 0.00 54.91 53.94 1mx9 h ALA 4337Cb 0.99 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.51 1mx9 h ALA 4337CO 0.00 -0.24 0.14 -1.83 0.00 0.00 0.00 179.25 177.32 1mx9 s GLU 4338N -4.80 3.58 -0.64 0.00 -1.05 -0.98 -4.99 118.70 109.82 1mx9 s GLU 4338Ca -0.15 -2.37 -0.37 0.00 -0.15 0.00 0.00 54.97 51.93 1mx9 s GLU 4338Cb 0.04 -4.46 -0.18 0.00 -0.44 0.00 0.00 34.13 29.08 1mx9 s GLU 4338CO 0.69 -1.33 2.35 0.54 0.95 0.00 0.00 175.26 178.46 1mx9 n ARG 4339N 4.23 0.22 0.00 -4.83 1.74 -1.24 -4.71 116.66 112.08 1mx9 n ARG 4339Ca 0.13 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1mx9 n ARG 4339Cb 0.47 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1mx9 n ARG 4339CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1mx9 n ASN 4340N 9.33 1.84 -4.50 0.55 5.15 -1.19 -5.06 115.26 121.38 1mx9 n ASN 4340Ca 0.56 0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 54.08 1mx9 n ASN 4340Cb 0.06 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.29 1mx9 n ASN 4340CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1mx9 n PHE 4341N -2.69 0.30 -1.63 1.20 1.16 -1.26 -4.82 117.46 109.72 1mx9 n PHE 4341Ca 0.00 0.78 -0.43 0.00 -1.87 0.00 0.00 57.45 55.93 1mx9 n PHE 4341Cb 0.46 -2.10 -0.03 0.00 -1.61 0.00 0.00 39.48 36.20 1mx9 n PHE 4341CO 0.00 0.00 0.00 -3.38 -1.87 0.00 0.00 176.76 171.51 1mx9 s HIS 4342N -1.12 1.20 0.00 2.97 0.00 -1.14 -4.80 115.29 112.40 1mx9 s HIS 4342Ca 0.61 0.04 -0.01 0.00 -3.00 0.00 0.00 55.06 52.71 1mx9 s HIS 4342Cb -0.76 -4.09 -0.04 0.00 -4.00 0.00 0.00 32.58 23.69 1mx9 s HIS 4342CO 0.58 -4.85 0.94 0.25 -1.00 0.00 0.00 174.74 170.67 1mx9 n THR 4343N 6.69 0.68 -1.65 -5.38 -2.24 -1.26 -4.87 114.28 106.24 1mx9 n THR 4343Ca 0.25 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1mx9 n THR 4343Cb 0.43 -1.39 0.05 0.00 -2.10 0.00 0.00 70.33 67.32 1mx9 n THR 4343CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1mx9 s VAL 4344N 1.96 3.79 0.12 2.28 -7.23 -1.26 -4.60 120.40 115.46 1mx9 s VAL 4344Ca 0.09 0.66 -0.31 0.00 -1.81 0.00 0.00 61.98 60.62 1mx9 s VAL 4344Cb 0.04 -3.29 -0.10 0.00 0.56 0.00 0.00 36.38 33.60 1mx9 s VAL 4344CO 0.00 -0.68 1.78 -2.84 -0.31 0.00 0.00 175.10 173.05 1mx9 s PRO 4345N -4.71 4.15 -0.09 4.82 0.02 -1.26 -4.60 135.00 133.33 1mx9 s PRO 4345Ca 0.61 2.53 0.03 0.00 0.02 0.00 0.00 61.00 64.18 1mx9 s PRO 4345Cb -0.15 -3.55 0.01 0.00 0.02 0.00 0.00 34.50 30.82 1mx9 s PRO 4345CO 0.50 -0.81 -0.18 -0.47 -0.33 0.00 0.00 177.00 175.71 1mx9 s TYR 4346N 2.58 2.07 -0.26 6.54 6.04 -0.57 -0.46 117.35 133.29 1mx9 s TYR 4346Ca 0.79 -0.87 -0.04 0.00 0.04 0.00 0.00 57.07 56.99 1mx9 s TYR 4346Cb -0.45 -1.44 0.02 0.00 -1.04 0.00 0.00 41.96 39.05 1mx9 s TYR 4346CO 0.35 -0.40 -0.01 1.41 -1.54 0.00 0.00 175.55 175.36 1mx9 s MET 4347N 0.63 2.97 0.06 4.97 -2.45 0.12 -1.80 119.30 123.80 1mx9 s MET 4347Ca -0.14 -0.90 0.03 0.00 -1.25 0.00 0.00 55.69 53.43 1mx9 s MET 4347Cb -0.16 -3.13 -0.04 0.00 1.25 0.00 0.00 34.83 32.75 1mx9 s MET 4347CO 0.04 -0.40 0.05 0.08 1.05 0.00 0.00 175.02 175.84 1mx9 s VAL 4348N 1.40 4.35 -0.11 10.11 1.01 0.12 -0.86 120.40 136.43 1mx9 s VAL 4348Ca 0.01 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 1mx9 s VAL 4348Cb -0.17 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.22 1mx9 s VAL 4348CO -0.02 0.18 0.68 -0.83 0.00 0.00 0.00 175.10 175.11 1mx9 s GLY 4349N -2.19 -0.55 0.23 4.51 0.00 -0.45 -2.09 107.32 106.78 1mx9 s GLY 4349Ca 0.26 1.47 0.04 0.00 0.00 0.00 0.00 44.72 46.49 1mx9 s GLY 4349CO 0.19 1.14 -0.01 -0.26 0.00 0.00 0.00 173.10 174.15 1mx9 s ILE 4350N -0.78 1.10 0.10 0.90 -4.36 -0.82 0.16 121.20 117.50 1mx9 s ILE 4350Ca -0.08 -2.04 -0.01 0.00 -0.26 0.00 0.00 60.65 58.26 1mx9 s ILE 4350Cb -0.01 -2.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 1mx9 s ILE 4350CO 0.07 -0.33 0.26 0.20 0.24 0.00 0.00 174.94 175.39 1mx9 s ASN 4351N -3.32 6.38 0.32 4.36 0.02 -1.26 -0.97 114.94 120.48 1mx9 s ASN 4351Ca 0.28 0.33 0.11 0.00 -1.02 0.00 0.00 52.86 52.56 1mx9 s ASN 4351Cb 0.05 -1.98 0.94 0.00 0.02 0.00 0.00 41.25 40.28 1mx9 s ASN 4351CO 0.09 0.12 1.71 0.50 0.02 0.00 0.00 177.10 179.54 1mx9 h LYS 4352N 2.84 0.50 -2.32 -0.60 1.63 -0.24 -3.16 116.57 115.22 1mx9 h LYS 4352Ca -0.46 -0.03 -0.59 0.00 -0.85 0.00 0.00 60.65 58.73 1mx9 h LYS 4352Cb 1.17 -0.11 -0.40 0.00 -0.60 0.00 0.00 32.23 32.29 1mx9 h LYS 4352CO 0.74 0.33 -0.90 1.04 -3.45 0.00 0.00 179.45 177.22 1mx9 n GLN 4353N -4.93 1.01 -0.03 1.90 6.02 0.55 -4.96 117.38 116.93 1mx9 n GLN 4353Ca 0.28 -3.64 0.15 0.00 -0.01 0.00 0.00 57.00 53.78 1mx9 n GLN 4353Cb 0.81 -1.71 0.59 0.00 1.02 0.00 0.00 30.24 30.95 1mx9 n GLN 4353CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1mx9 h GLU 4354N 4.80 0.21 -0.30 -1.09 4.39 -1.68 -1.61 114.58 119.29 1mx9 h GLU 4354Ca 0.17 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 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 0.53 0.14 -0.02 0.34 -1.16 0.00 0.00 179.01 178.85 1mx9 n PHE 4355N -4.44 1.01 -0.21 4.33 -0.00 -1.26 -3.58 117.46 113.30 1mx9 n PHE 4355Ca 0.09 -1.21 -0.05 0.00 -0.00 0.00 0.00 57.45 56.28 1mx9 n PHE 4355Cb 0.46 -0.40 0.11 0.00 -0.00 0.00 0.00 39.48 39.65 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 1.35 1.10 0.00 7.13 0.00 -1.65 -3.44 103.07 107.57 1mx9 h GLY 4356Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1mx9 h GLY 4356CO 0.30 0.61 0.00 1.87 0.00 0.00 0.00 176.54 179.32 1mx9 n TRP 4357N -4.26 -3.60 -0.23 5.60 -0.00 -1.26 -5.00 117.44 108.69 1mx9 n TRP 4357Ca 0.05 0.94 -0.07 0.00 -0.00 0.00 0.00 57.50 58.42 1mx9 n TRP 4357Cb 0.23 2.46 -0.06 0.00 -0.00 0.00 0.00 31.31 33.94 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 -1.27 0.11 5.87 5.85 -1.89 0.11 115.31 124.08 1mx9 h LEU 4358Ca 0.00 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1mx9 h LEU 4358Cb 0.00 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1mx9 h LEU 4358CO 0.00 -0.15 -0.17 0.40 -0.34 0.00 0.00 178.44 178.18 1mx9 h ILE 4359N -0.03 0.00 -0.77 4.05 2.04 -1.90 0.27 117.51 121.16 1mx9 h ILE 4359Ca 0.09 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.12 1mx9 h ILE 4359Cb 0.26 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.29 1mx9 h ILE 4359CO -0.53 0.00 0.52 1.55 0.00 0.00 0.00 178.15 179.69 1mx9 h PRO 4360N -0.30 0.31 -0.35 2.37 0.13 -1.83 0.17 132.00 132.50 1mx9 h PRO 4360Ca -0.01 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1mx9 h PRO 4360Cb 0.28 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 1mx9 h PRO 4360CO -0.05 0.21 0.14 1.98 -0.23 0.00 0.00 178.00 180.04 1mx9 h MET 4361N 0.32 0.52 0.00 0.86 4.05 -0.41 -1.64 114.93 118.64 1mx9 h MET 4361Ca 0.38 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1mx9 h MET 4361Cb 1.02 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 1mx9 h MET 4361CO -0.11 0.51 0.00 -0.07 0.23 0.00 0.00 176.91 177.48 1mx9 h LEU 4363N 0.42 0.00 -2.52 3.39 3.38 0.20 -3.07 115.31 117.11 1mx9 h LEU 4363Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1mx9 h LEU 4363Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1mx9 h LEU 4363CO -0.01 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.75 1mx9 n MET 4364N -2.62 2.50 -3.30 1.13 2.81 0.33 -4.79 117.12 113.17 1mx9 n MET 4364Ca 0.02 -2.25 -0.10 0.00 -1.81 0.00 0.00 57.70 53.55 1mx9 n MET 4364Cb 0.31 -1.45 0.01 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.23 -6.78 -4.84 7.83 7.64 -0.67 -1.69 113.62 116.34 1mx9 n SER 4365Ca 0.18 -0.44 -0.35 0.00 1.01 0.00 0.00 58.87 59.27 1mx9 n SER 4365Cb 0.54 -4.33 -0.06 0.00 -1.01 0.00 0.00 64.21 59.35 1mx9 n SER 4365CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mx9 s TYR 4366N -3.09 3.61 -1.28 1.43 1.51 -1.06 -4.54 117.35 113.94 1mx9 s TYR 4366Ca 0.11 1.12 -0.14 0.00 -1.01 0.00 0.00 57.07 57.14 1mx9 s TYR 4366Cb -0.03 -2.41 0.13 0.00 -0.11 0.00 0.00 41.96 39.54 1mx9 s TYR 4366CO 0.79 0.41 1.70 -2.30 -1.11 0.00 0.00 175.55 175.04 1mx9 n PRO 4367N 0.79 3.31 -2.44 -1.71 -0.02 -1.26 -4.67 135.00 129.00 1mx9 n PRO 4367Ca -0.05 -3.49 -0.12 0.00 -2.02 0.00 0.00 63.50 57.82 1mx9 n PRO 4367Cb 0.52 -3.18 0.03 0.00 -0.02 0.00 0.00 33.50 30.86 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 6.12 3.22 -0.14 2.45 4.77 -1.26 -4.87 117.00 127.29 1mx9 n LEU 4368Ca 0.43 -3.91 -0.04 0.00 -0.03 0.00 0.00 56.01 52.45 1mx9 n LEU 4368Cb 0.42 0.07 0.17 0.00 -2.33 0.00 0.00 43.42 41.74 1mx9 n LEU 4368CO 0.73 1.59 0.95 0.77 -1.33 0.00 0.00 177.39 180.10 1mx9 h SER 4369N 2.42 0.81 0.16 -1.43 4.64 -1.96 -2.82 113.55 115.37 1mx9 h SER 4369Ca 0.11 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1mx9 h SER 4369Cb 1.38 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1mx9 h SER 4369CO 0.48 0.81 0.00 -0.62 -0.87 0.00 0.00 176.83 176.63 1mx9 n GLU 4370N -4.25 0.53 -0.26 4.77 -0.58 -1.26 -4.87 120.64 114.72 1mx9 n GLU 4370Ca 0.04 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1mx9 n GLU 4370Cb 0.25 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 0.43 0.00 3.68 0.62 0.00 -1.07 -4.87 105.19 103.97 1mx9 n GLY 4371Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.53 2.32 -0.27 1.61 -2.07 -1.26 -4.61 119.66 114.84 1mx9 s GLN 4372Ca 0.00 -1.48 -0.11 0.00 -1.82 0.00 0.00 55.36 51.95 1mx9 s GLN 4372Cb 0.00 -2.15 0.11 0.00 -1.09 0.00 0.00 33.01 29.88 1mx9 s GLN 4372CO 0.00 0.26 0.61 -1.17 -1.32 0.00 0.00 175.29 173.67 1mx9 s LEU 4373N -3.74 -0.98 -0.17 2.60 2.96 -0.47 -4.87 118.68 114.01 1mx9 s LEU 4373Ca 0.34 1.44 -0.09 0.00 -0.22 0.00 0.00 54.13 55.60 1mx9 s LEU 4373Cb -0.04 2.13 -0.05 0.00 0.50 0.00 0.00 46.19 48.73 1mx9 s LEU 4373CO 0.21 -0.22 0.14 1.51 -1.32 0.00 0.00 176.35 176.67 1mx9 s ASP 4374N 2.54 6.27 0.26 3.68 -4.77 -1.26 -4.31 116.67 119.07 1mx9 s ASP 4374Ca -0.06 0.31 0.22 0.00 -3.30 0.00 0.00 52.55 49.72 1mx9 s ASP 4374Cb -0.10 -2.09 0.83 0.00 -1.09 0.00 0.00 42.92 40.46 1mx9 s ASP 4374CO -0.18 0.24 0.78 0.00 0.70 0.00 0.00 175.17 176.71 1mx9 n GLN 4375N 3.08 -0.01 0.03 2.11 6.02 -1.26 1.00 117.38 128.35 1mx9 n GLN 4375Ca -0.17 0.57 -0.19 0.00 -0.01 0.00 0.00 57.00 57.20 1mx9 n GLN 4375Cb 0.53 -1.25 -0.12 0.00 1.02 0.00 0.00 30.24 30.43 1mx9 n GLN 4375CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1mx9 h LYS 4376N 0.00 0.47 0.00 -1.09 3.64 -2.00 -2.67 116.57 114.93 1mx9 h LYS 4376Ca 0.46 -0.55 -0.12 0.00 -1.27 0.00 0.00 60.65 59.17 1mx9 h LYS 4376Cb 1.74 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.70 1mx9 h LYS 4376CO -0.08 1.19 -0.57 1.15 -2.27 0.00 0.00 179.45 178.87 1mx9 h THR 4377N -0.01 1.34 -0.49 1.00 2.02 0.25 -2.88 112.91 114.14 1mx9 h THR 4377Ca -0.11 -2.00 -0.05 0.00 0.77 0.00 0.00 66.41 65.02 1mx9 h THR 4377Cb 1.49 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 69.98 1mx9 h THR 4377CO 0.15 0.56 0.12 0.00 0.37 0.00 0.00 175.52 176.72 1mx9 h ALA 4378N 1.43 0.65 -0.50 6.16 0.00 -1.33 -1.44 119.26 124.23 1mx9 h ALA 4378Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1mx9 h ALA 4378Cb 1.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1mx9 h ALA 4378CO 0.07 0.34 -0.07 0.52 0.00 0.00 0.00 179.25 180.11 1mx9 h MET 4379N 0.67 0.93 -0.61 0.00 2.86 -1.37 0.13 114.93 117.54 1mx9 h MET 4379Ca 0.15 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1mx9 h MET 4379Cb 0.33 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1mx9 h MET 4379CO 0.00 0.99 0.26 0.66 1.06 0.00 0.00 176.91 179.88 1mx9 h SER 4380N 0.78 0.82 0.04 1.22 4.64 -1.37 -1.28 113.55 118.41 1mx9 h SER 4380Ca 0.13 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1mx9 h SER 4380Cb 0.61 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1mx9 h SER 4380CO 0.04 0.75 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.66 1mx9 h LEU 4381N 0.84 -0.05 -1.94 5.97 3.38 -1.07 -1.94 115.31 120.50 1mx9 h LEU 4381Ca 0.20 -0.20 0.23 0.00 0.09 0.00 0.00 57.88 58.21 1mx9 h LEU 4381Cb 0.17 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1mx9 h LEU 4381CO -0.02 0.17 0.59 0.25 0.09 0.00 0.00 178.44 179.52 1mx9 h LEU 4382N -0.27 0.05 0.19 1.67 5.85 -0.47 -0.08 115.31 122.26 1mx9 h LEU 4382Ca -0.01 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1mx9 h LEU 4382Cb 0.25 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1mx9 h LEU 4382CO 0.01 0.02 -0.09 -0.25 -0.34 0.00 0.00 178.44 177.79 1mx9 h TRP 4383N 0.05 -0.24 -0.13 1.25 -0.00 -0.75 -3.00 115.95 113.13 1mx9 h TRP 4383Ca 0.40 -0.01 0.04 0.00 -0.00 0.00 0.00 58.89 59.32 1mx9 h TRP 4383Cb 1.52 0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 30.76 1mx9 h TRP 4383CO -0.00 0.17 0.23 0.87 -0.00 0.00 0.00 178.44 179.70 1mx9 h LYS 4384N -0.82 0.00 -0.78 2.65 1.79 -0.33 0.28 116.57 119.36 1mx9 h LYS 4384Ca -0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1mx9 h LYS 4384Cb 0.52 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1mx9 h LYS 4384CO 0.04 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.28 1mx9 n SER 4385N -3.42 3.47 -0.19 0.86 3.41 -0.28 -4.46 113.62 113.01 1mx9 n SER 4385Ca 0.00 -2.49 -0.01 0.00 -0.26 0.00 0.00 58.87 56.12 1mx9 n SER 4385Cb 0.33 -0.60 0.08 0.00 -0.26 0.00 0.00 64.21 63.75 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 2.08 -0.14 0.00 7.33 3.20 -0.46 0.74 116.97 129.71 1mx9 h TYR 4386Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1mx9 h TYR 4386Cb 1.28 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.70 1mx9 h TYR 4386CO 0.57 -0.19 0.04 -0.35 -1.64 0.00 0.00 178.16 176.59 1mx9 n PRO 4387N -5.32 0.00 -0.08 1.82 -0.04 -1.26 0.08 135.00 130.19 1mx9 n PRO 4387Ca 0.07 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.71 1mx9 n PRO 4387Cb 0.32 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 1mx9 n PRO 4387CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1mx9 n LEU 4388N -1.29 2.44 -0.00 1.53 4.77 0.22 -4.60 117.00 120.06 1mx9 n LEU 4388Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1mx9 n LEU 4388Cb 0.04 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 1mx9 n LEU 4388CO 0.00 0.64 -0.25 1.33 -1.33 0.00 0.00 177.39 177.78 1mx9 n VAL 4389N -3.20 0.00 -3.77 4.08 0.24 -1.01 -4.54 118.33 110.14 1mx9 n VAL 4389Ca -0.29 -0.20 -0.28 0.00 -2.04 0.00 0.00 64.34 61.52 1mx9 n VAL 4389Cb 0.78 0.72 0.02 0.00 -1.47 0.00 0.00 33.84 33.89 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 -3.65 3.95 0.63 0.00 1.01 -1.26 -5.08 121.20 116.80 1mx9 s ILE 4391Ca 0.27 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 1mx9 s ILE 4391Cb -0.09 -2.96 -0.08 0.00 0.01 0.00 0.00 42.46 39.34 1mx9 s ILE 4391CO 0.86 0.19 0.40 0.00 0.00 0.00 0.00 174.94 176.40 1mx9 n ALA 4392N 4.87 -1.67 0.30 9.38 0.00 -1.26 -4.77 120.51 127.36 1mx9 n ALA 4392Ca -0.15 -0.13 0.18 0.00 0.00 0.00 0.00 53.44 53.33 1mx9 n ALA 4392Cb 0.49 -1.76 0.81 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.06 0.00 -0.07 0.00 3.64 -1.99 -2.60 116.57 115.49 1mx9 h LYS 4393Ca -0.45 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.77 1mx9 h LYS 4393Cb 1.38 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.21 1mx9 h LYS 4393CO 0.44 0.00 -0.58 0.93 -2.27 0.00 0.00 179.45 177.97 1mx9 h GLU 4394N 0.00 0.51 -0.00 1.90 3.07 -2.05 -3.25 114.58 114.76 1mx9 h GLU 4394Ca 0.00 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1mx9 h GLU 4394Cb 0.29 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1mx9 h GLU 4394CO 0.00 1.09 -0.04 1.28 -1.40 0.00 0.00 179.01 179.94 1mx9 n LEU 4395N -4.19 0.13 0.24 1.33 4.77 -1.00 -4.25 117.00 114.03 1mx9 n LEU 4395Ca -0.09 0.21 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 1mx9 n LEU 4395Cb 0.65 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1mx9 n LEU 4395CO 0.47 0.03 0.58 0.40 -1.33 0.00 0.00 177.39 177.54 1mx9 h ILE 4396N 0.14 0.14 -0.81 -0.08 1.08 -1.53 -1.77 117.51 114.69 1mx9 h ILE 4396Ca 0.00 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.59 1mx9 h ILE 4396Cb 0.31 0.14 -0.06 0.00 -3.07 0.00 0.00 36.82 34.15 1mx9 h ILE 4396CO 0.00 0.00 0.53 -0.65 -0.69 0.00 0.00 178.15 177.34 1mx9 h PRO 4397N -0.85 0.62 0.30 2.37 0.11 -1.80 -1.10 132.00 131.65 1mx9 h PRO 4397Ca -0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1mx9 h PRO 4397Cb 0.76 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1mx9 h PRO 4397CO -0.08 0.41 -0.14 1.49 -0.21 0.00 0.00 178.00 179.46 1mx9 h GLU 4398N 0.64 -0.39 -0.88 1.05 4.81 -1.74 -1.89 114.58 116.18 1mx9 h GLU 4398Ca 0.39 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1mx9 h GLU 4398Cb 0.62 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1mx9 h GLU 4398CO -0.15 -0.11 0.46 0.00 -0.73 0.00 0.00 179.01 178.48 1mx9 h ALA 4399N -0.04 1.14 -0.73 2.92 0.00 -1.06 -2.07 119.26 119.42 1mx9 h ALA 4399Ca -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1mx9 h ALA 4399Cb 0.46 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1mx9 h ALA 4399CO 0.07 0.66 0.44 1.15 0.00 0.00 0.00 179.25 181.57 1mx9 h THR 4400N 1.24 1.21 -0.37 0.00 2.02 -1.18 -2.81 112.91 113.02 1mx9 h THR 4400Ca 0.31 -0.45 -0.14 0.00 0.77 0.00 0.00 66.41 66.90 1mx9 h THR 4400Cb 0.06 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1mx9 h THR 4400CO -0.05 0.21 -0.31 -0.08 0.37 0.00 0.00 175.52 175.67 1mx9 h GLU 4401N 0.99 0.87 -0.16 6.66 4.57 -1.06 -0.54 114.58 125.92 1mx9 h GLU 4401Ca 0.26 -0.43 0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1mx9 h GLU 4401Cb -0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1mx9 h GLU 4401CO -0.05 1.08 0.16 -0.22 -1.18 0.00 0.00 179.01 178.80 1mx9 h LYS 4402N 0.67 0.00 0.00 1.92 1.63 -1.16 -1.83 116.57 117.80 1mx9 h LYS 4402Ca 0.07 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.72 1mx9 h LYS 4402Cb 0.89 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 1mx9 h LYS 4402CO 0.08 0.00 -1.34 0.66 -3.45 0.00 0.00 179.45 175.39 1mx9 n TYR 4403N -3.91 0.00 0.12 1.91 4.02 -1.08 -4.75 117.16 113.46 1mx9 n TYR 4403Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.89 1mx9 n TYR 4403Cb 0.28 -0.55 0.02 0.00 -0.02 0.00 0.00 39.34 39.07 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 -0.79 0.00 -0.03 7.72 3.38 -1.19 -3.32 115.31 121.09 1mx9 h LEU 4404Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1mx9 h LEU 4404Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1mx9 h LEU 4404CO -0.13 0.67 0.05 0.61 0.09 0.00 0.00 178.44 179.73 1mx9 n GLY 4405N 1.09 -0.46 0.24 0.83 0.00 -0.69 -2.94 105.19 103.27 1mx9 n GLY 4405Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -2.49 -0.02 0.00 -1.77 -3.46 103.07 95.33 1mx9 h GLY 4406Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1mx9 h GLY 4406CO 0.00 0.00 -0.56 -0.51 0.00 0.00 0.00 176.54 175.47 1mx9 s THR 4407N -4.55 0.00 -1.47 4.70 -4.23 -1.15 -5.04 115.64 103.90 1mx9 s THR 4407Ca -0.04 -1.94 0.17 0.00 -1.18 0.00 0.00 61.69 58.70 1mx9 s THR 4407Cb 0.15 -2.48 0.46 0.00 1.34 0.00 0.00 72.50 71.98 1mx9 s THR 4407CO 0.66 0.00 1.38 0.47 -0.54 0.00 0.00 174.62 176.59 1mx9 n ASP 4408N -0.40 3.39 -4.57 3.99 8.00 -1.26 -4.93 116.55 120.77 1mx9 n ASP 4408Ca 0.02 -1.99 -0.43 0.00 0.71 0.00 0.00 54.79 53.11 1mx9 n ASP 4408Cb 0.65 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.02 6.50 0.34 -2.24 -1.08 -1.26 -4.95 116.67 112.96 1mx9 s ASP 4409Ca 0.35 0.18 0.04 0.00 -0.52 0.00 0.00 52.55 52.60 1mx9 s ASP 4409Cb 0.19 -2.40 0.66 0.00 -1.46 0.00 0.00 42.92 39.91 1mx9 s ASP 4409CO 0.24 -0.82 1.95 0.71 0.52 0.00 0.00 175.17 177.77 1mx9 h THR 4410N 5.86 1.05 -0.07 1.71 1.35 -1.92 0.16 112.91 121.04 1mx9 h THR 4410Ca -0.25 -0.29 -0.14 0.00 -0.55 0.00 0.00 66.41 65.18 1mx9 h THR 4410Cb 1.09 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1mx9 h THR 4410CO 0.94 0.16 -0.59 0.58 -0.25 0.00 0.00 175.52 176.35 1mx9 h VAL 4411N 0.86 1.38 0.00 6.82 2.07 -1.85 -1.03 116.25 124.50 1mx9 h VAL 4411Ca 0.33 -1.95 -0.17 0.00 0.82 0.00 0.00 66.70 65.73 1mx9 h VAL 4411Cb 0.21 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1mx9 h VAL 4411CO -0.11 0.58 -0.82 0.50 0.02 0.00 0.00 177.57 177.73 1mx9 h LYS 4412N 0.18 0.00 -0.36 1.57 3.64 -1.59 -2.77 116.57 117.24 1mx9 h LYS 4412Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1mx9 h LYS 4412Cb 1.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1mx9 h LYS 4412CO 0.09 0.82 -0.04 0.87 -2.27 0.00 0.00 179.45 178.92 1mx9 h LYS 4413N 0.00 0.66 -0.45 1.90 1.57 -0.55 0.21 116.57 119.92 1mx9 h LYS 4413Ca -0.01 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1mx9 h LYS 4413Cb 1.48 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.72 1mx9 h LYS 4413CO 0.11 0.80 0.31 -0.22 -0.57 0.00 0.00 179.45 179.87 1mx9 h LYS 4414N 0.47 0.34 0.00 3.15 3.64 -1.24 0.62 116.57 123.55 1mx9 h LYS 4414Ca 0.10 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.24 1mx9 h LYS 4414Cb 0.53 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1mx9 h LYS 4414CO 0.03 0.23 -1.16 -0.44 -2.27 0.00 0.00 179.45 175.83 1mx9 h ASP 4415N 0.35 0.00 0.57 4.20 3.32 -1.16 -3.13 116.42 120.58 1mx9 h ASP 4415Ca 0.20 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 1mx9 h ASP 4415Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1mx9 h ASP 4415CO -0.05 0.91 -0.70 -0.07 -1.72 0.00 0.00 179.24 177.62 1mx9 h LEU 4416N 0.00 0.12 -0.64 1.55 3.38 0.11 -2.66 115.31 117.18 1mx9 h LEU 4416Ca -0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1mx9 h LEU 4416Cb 1.78 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.46 1mx9 h LEU 4416CO 0.10 0.78 0.27 0.15 0.09 0.00 0.00 178.44 179.84 1mx9 h PHE 4417N 0.07 0.95 -0.44 1.13 3.57 0.13 -2.00 116.94 120.36 1mx9 h PHE 4417Ca -0.01 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 1mx9 h PHE 4417Cb 1.24 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1mx9 h PHE 4417CO 0.01 0.74 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.57 1mx9 h LEU 4418N 0.89 0.89 -1.49 0.59 3.38 -1.48 -2.16 115.31 115.93 1mx9 h LEU 4418Ca 0.21 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1mx9 h LEU 4418Cb 0.18 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1mx9 h LEU 4418CO -0.02 1.06 0.48 0.44 0.09 0.00 0.00 178.44 180.49 1mx9 h ASP 4419N 0.77 0.51 0.45 -0.43 3.32 -1.06 -1.31 116.42 118.67 1mx9 h ASP 4419Ca 0.11 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1mx9 h ASP 4419Cb 0.73 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1mx9 h ASP 4419CO 0.06 0.29 -0.22 0.25 -1.72 0.00 0.00 179.24 177.90 1mx9 h LEU 4420N 0.56 -0.52 -0.82 1.55 5.85 -0.74 -1.92 115.31 119.26 1mx9 h LEU 4420Ca 0.34 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.28 1mx9 h LEU 4420Cb 0.57 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.61 1mx9 h LEU 4420CO -0.12 -0.35 0.19 0.40 -0.34 0.00 0.00 178.44 178.22 1mx9 h ILE 4421N -0.65 0.38 -0.06 4.05 2.04 -1.07 -1.06 117.51 121.13 1mx9 h ILE 4421Ca -0.06 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 1mx9 h ILE 4421Cb 0.47 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1mx9 h ILE 4421CO 0.10 0.04 -0.51 0.00 0.00 0.00 0.00 178.15 177.78 1mx9 h ALA 4422N 1.72 1.03 -0.19 1.87 0.00 -1.27 -2.39 119.26 120.02 1mx9 h ALA 4422Ca 0.49 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1mx9 h ALA 4422Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1mx9 h ALA 4422CO -0.61 0.66 -0.43 -0.44 0.00 0.00 0.00 179.25 178.43 1mx9 h ASP 4423N 0.13 0.49 0.21 0.00 3.32 -0.37 -0.54 116.42 119.67 1mx9 h ASP 4423Ca 0.00 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.67 1mx9 h ASP 4423Cb 0.95 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1mx9 h ASP 4423CO 0.08 0.86 -0.61 0.58 -1.72 0.00 0.00 179.24 178.43 1mx9 h VAL 4424N 0.38 1.36 0.11 -1.35 2.07 -1.33 0.22 116.25 117.71 1mx9 h VAL 4424Ca 0.03 -1.94 -0.35 0.00 0.82 0.00 0.00 66.70 65.26 1mx9 h VAL 4424Cb 0.90 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1mx9 h VAL 4424CO 0.08 0.58 -1.90 0.23 0.02 0.00 0.00 177.57 176.59 1mx9 n MET 4425N -3.90 0.74 -0.01 1.57 2.81 -0.91 -4.52 117.12 112.90 1mx9 n MET 4425Ca -0.03 0.30 -0.04 0.00 -1.81 0.00 0.00 57.70 56.12 1mx9 n MET 4425Cb 0.63 -1.72 -0.01 0.00 -0.71 0.00 0.00 33.22 31.41 1mx9 n MET 4425CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1mx9 n PHE 4426N -3.61 0.00 0.00 2.03 3.01 -0.26 -4.67 117.46 113.96 1mx9 n PHE 4426Ca -0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.14 1mx9 n PHE 4426Cb 1.00 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 40.33 1mx9 n PHE 4426CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 4427N 2.82 -2.69 0.34 1.37 0.00 -0.92 -0.87 105.19 105.24 1mx9 n GLY 4427Ca -0.07 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1mx9 n GLY 4427CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mx9 h VAL 4428N 0.00 0.28 -0.55 1.61 2.07 -0.84 -0.18 116.25 118.63 1mx9 h VAL 4428Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1mx9 h VAL 4428Cb 0.00 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 29.98 1mx9 h VAL 4428CO 0.00 0.00 0.15 -0.65 0.02 0.00 0.00 177.57 177.09 1mx9 h PRO 4429N -0.46 0.30 -0.81 1.57 0.11 -1.73 0.44 132.00 131.43 1mx9 h PRO 4429Ca 0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1mx9 h PRO 4429Cb 0.56 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 1mx9 h PRO 4429CO -0.30 0.20 0.43 0.77 -0.21 0.00 0.00 178.00 178.88 1mx9 h SER 4430N 0.30 1.02 -0.41 -2.05 0.02 -0.60 -0.14 113.55 111.70 1mx9 h SER 4430Ca 0.28 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1mx9 h SER 4430Cb 0.37 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1mx9 h SER 4430CO -0.33 0.84 -0.07 0.58 -1.14 0.00 0.00 176.83 176.71 1mx9 h VAL 4431N 1.13 1.27 0.45 2.27 2.07 -0.01 0.12 116.25 123.54 1mx9 h VAL 4431Ca 0.28 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1mx9 h VAL 4431Cb 0.06 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1mx9 h VAL 4431CO -0.04 0.39 -0.22 0.40 0.02 0.00 0.00 177.57 178.12 1mx9 h ILE 4432N 0.60 0.55 -0.77 4.57 2.04 -0.75 0.72 117.51 124.46 1mx9 h ILE 4432Ca 0.11 -0.15 0.20 0.00 1.00 0.00 0.00 64.86 66.02 1mx9 h ILE 4432Cb 0.59 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1mx9 h ILE 4432CO 0.04 0.03 0.54 0.58 0.00 0.00 0.00 178.15 179.33 1mx9 h VAL 4433N -0.69 0.68 -0.28 1.67 2.07 -0.90 0.16 116.25 118.96 1mx9 h VAL 4433Ca -0.06 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.23 1mx9 h VAL 4433Cb 0.51 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1mx9 h VAL 4433CO 0.10 0.03 -0.50 0.00 0.02 0.00 0.00 177.57 177.22 1mx9 h ALA 4434N 1.63 0.58 -0.19 1.67 0.00 0.09 -2.82 119.26 120.23 1mx9 h ALA 4434Ca 0.38 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1mx9 h ALA 4434Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1mx9 h ALA 4434CO -0.07 0.68 -0.37 0.00 0.00 0.00 0.00 179.25 179.49 1mx9 h ARG 4435N 0.61 0.59 -0.59 0.00 3.08 0.16 -1.83 114.38 116.40 1mx9 h ARG 4435Ca 0.02 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 1mx9 h ARG 4435Cb 1.08 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 1mx9 h ARG 4435CO 0.11 0.99 0.25 -0.91 -1.07 0.00 0.00 179.97 179.33 1mx9 h ASN 4436N 0.26 0.80 -0.53 7.04 4.21 -1.36 0.78 115.58 126.78 1mx9 h ASN 4436Ca 0.01 -0.16 -0.02 0.00 1.21 0.00 0.00 56.30 57.34 1mx9 h ASN 4436Cb 0.96 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.93 1mx9 h ASN 4436CO 0.08 0.75 0.27 -0.74 -1.29 0.00 0.00 177.43 176.50 1mx9 h HIS 4437N 0.81 0.74 0.06 1.19 2.76 -1.51 -1.40 115.15 117.80 1mx9 h HIS 4437Ca 0.20 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1mx9 h HIS 4437Cb 0.18 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1mx9 h HIS 4437CO 0.01 0.56 -0.08 -0.09 -1.30 0.00 0.00 177.93 177.03 1mx9 h ARG 4438N 0.70 -0.16 0.00 5.26 2.43 -0.96 -2.30 114.38 119.35 1mx9 h ARG 4438Ca 0.18 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1mx9 h ARG 4438Cb 0.09 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1mx9 h ARG 4438CO -0.03 -0.11 0.00 -0.25 -1.51 0.00 0.00 179.97 178.07 1mx9 n ASP 4439N -5.20 0.00 0.04 -3.80 8.00 0.23 -1.94 116.55 113.88 1mx9 n ASP 4439Ca -0.07 -0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.50 1mx9 n ASP 4439Cb 0.12 -0.20 0.23 0.00 -0.02 0.00 0.00 41.12 41.25 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 -1.20 3.08 0.00 2.24 0.00 -0.56 -4.93 120.51 119.14 1mx9 n ALA 4440Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1mx9 n ALA 4440Cb 0.09 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.40 1.17 3.65 0.00 0.00 -0.82 -5.04 105.19 105.55 1mx9 n GLY 4441Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.17 0.21 4.61 0.00 -1.21 -5.07 121.76 121.46 1mx9 s ALA 4442Ca 0.00 -1.31 -0.31 0.00 0.00 0.00 0.00 51.96 50.35 1mx9 s ALA 4442Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 23.12 22.02 1mx9 s ALA 4442CO 0.00 0.55 1.48 -2.14 0.00 0.00 0.00 175.76 175.64 1mx9 s PRO 4443N -2.71 4.25 -0.02 0.00 0.02 -1.26 -4.47 135.00 130.81 1mx9 s PRO 4443Ca 0.26 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.59 1mx9 s PRO 4443Cb -0.10 -3.13 0.02 0.00 0.02 0.00 0.00 34.50 31.30 1mx9 s PRO 4443CO 0.18 -0.48 -0.01 0.99 -0.33 0.00 0.00 177.00 177.34 1mx9 s THR 4444N 0.44 0.25 -0.02 0.99 2.01 -1.26 -1.51 115.64 116.54 1mx9 s THR 4444Ca 0.63 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.67 1mx9 s THR 4444Cb -0.42 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 1mx9 s THR 4444CO 0.38 0.13 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.99 1mx9 s TYR 4445N 0.69 1.32 0.14 4.92 2.02 -0.75 0.06 117.35 125.75 1mx9 s TYR 4445Ca -0.07 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 1mx9 s TYR 4445Cb -0.10 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 1mx9 s TYR 4445CO -0.01 -0.04 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.18 1mx9 s MET 4446N -0.25 1.02 0.14 -0.62 -1.94 -1.25 0.14 119.30 116.54 1mx9 s MET 4446Ca 0.04 -1.37 -0.14 0.00 -1.71 0.00 0.00 55.69 52.52 1mx9 s MET 4446Cb -0.06 -0.67 0.02 0.00 2.01 0.00 0.00 34.83 36.12 1mx9 s MET 4446CO -0.00 0.10 0.37 1.52 -0.01 0.00 0.00 175.02 177.00 1mx9 s TYR 4447N -2.94 -0.01 -0.33 -0.03 1.13 -0.89 -1.57 117.35 112.71 1mx9 s TYR 4447Ca 0.13 -0.34 -0.01 0.00 -1.41 0.00 0.00 57.07 55.44 1mx9 s TYR 4447Cb 0.00 0.18 0.11 0.00 -1.10 0.00 0.00 41.96 41.14 1mx9 s TYR 4447CO 0.01 -0.73 0.12 -2.00 -2.51 0.00 0.00 175.55 170.44 1mx9 s GLU 4448N -3.86 0.74 0.02 -3.49 2.12 -0.17 -1.94 118.70 112.12 1mx9 s GLU 4448Ca 0.07 -1.16 -0.30 0.00 0.36 0.00 0.00 54.97 53.94 1mx9 s GLU 4448Cb 0.02 -1.95 -0.05 0.00 0.26 0.00 0.00 34.13 32.41 1mx9 s GLU 4448CO -0.07 -1.02 1.18 0.12 -0.54 0.00 0.00 175.26 174.93 1mx9 s PHE 4449N 1.48 3.38 -0.32 5.30 5.36 -0.15 -2.38 117.98 130.65 1mx9 s PHE 4449Ca 0.11 1.31 -0.02 0.00 -0.96 0.00 0.00 56.93 57.37 1mx9 s PHE 4449Cb -0.18 -3.39 0.12 0.00 -0.34 0.00 0.00 43.02 39.23 1mx9 s PHE 4449CO -0.22 -1.17 0.17 -1.14 -1.46 0.00 0.00 175.22 171.40 1mx9 s GLN 4450N 1.39 0.38 -0.28 10.12 0.74 0.20 0.11 119.66 132.32 1mx9 s GLN 4450Ca 0.57 -0.95 -0.25 0.00 0.05 0.00 0.00 55.36 54.78 1mx9 s GLN 4450Cb -0.27 -1.24 0.10 0.00 1.10 0.00 0.00 33.01 32.69 1mx9 s GLN 4450CO 0.27 -1.12 0.88 -0.47 -0.55 0.00 0.00 175.29 174.30 1mx9 s TYR 4451N 1.55 -0.64 -0.52 1.67 5.04 -1.26 -4.08 117.35 119.11 1mx9 s TYR 4451Ca 0.14 1.53 -0.16 0.00 -2.44 0.00 0.00 57.07 56.14 1mx9 s TYR 4451Cb -0.20 0.33 0.11 0.00 0.35 0.00 0.00 41.96 42.56 1mx9 s TYR 4451CO -0.17 -0.31 0.47 0.50 -1.34 0.00 0.00 175.55 174.70 1mx9 s ARG 4452N 0.37 2.98 0.50 4.97 3.52 -1.26 -2.93 118.95 127.10 1mx9 s ARG 4452Ca 0.01 -1.61 -0.23 0.00 -0.13 0.00 0.00 55.73 53.77 1mx9 s ARG 4452Cb -0.05 -4.25 -0.06 0.00 -1.56 0.00 0.00 34.95 29.03 1mx9 s ARG 4452CO -0.04 -1.24 1.29 -1.25 -0.81 0.00 0.00 175.30 173.25 1mx9 s PRO 4453N 1.61 3.46 0.51 5.12 0.04 -1.26 -4.89 135.00 139.57 1mx9 s PRO 4453Ca 0.03 2.08 0.29 0.00 0.04 0.00 0.00 61.00 63.45 1mx9 s PRO 4453Cb -0.28 -2.37 1.17 0.00 0.04 0.00 0.00 34.50 33.05 1mx9 s PRO 4453CO 0.04 -0.89 1.91 0.66 0.04 0.00 0.00 177.00 178.77 1mx9 h SER 4454N 1.82 0.00 0.00 6.66 4.64 -1.98 -2.63 113.55 122.05 1mx9 h SER 4454Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1mx9 h SER 4454Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1mx9 h SER 4454CO 0.59 0.09 0.00 0.49 -0.87 0.00 0.00 176.83 177.13 1mx9 n PHE 4455N -3.22 0.00 -0.82 4.77 3.01 -1.26 -4.82 117.46 115.12 1mx9 n PHE 4455Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 1mx9 n PHE 4455Cb 0.36 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 40.05 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 -1.62 1.64 0.94 4.37 0.01 -1.00 -5.00 113.70 113.05 1mx9 s SER 4456Ca 0.21 1.36 -0.12 0.00 1.31 0.00 0.00 55.95 58.71 1mx9 s SER 4456Cb 0.10 -2.09 0.16 0.00 0.21 0.00 0.00 66.02 64.39 1mx9 s SER 4456CO 0.16 -3.77 1.09 -0.55 0.41 0.00 0.00 173.24 170.58 1mx9 s SER 4457N -2.93 3.05 0.19 2.44 0.15 -1.26 -4.94 113.70 110.40 1mx9 s SER 4457Ca 0.67 1.43 0.17 0.00 0.70 0.00 0.00 55.95 58.92 1mx9 s SER 4457Cb -0.22 -2.11 -0.01 0.00 -1.71 0.00 0.00 66.02 61.97 1mx9 s SER 4457CO 0.62 -2.90 1.16 0.44 1.20 0.00 0.00 173.24 173.76 1mx9 h ASP 4458N -1.73 0.00 1.19 5.45 3.32 -1.96 -3.25 116.42 119.45 1mx9 h ASP 4458Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1mx9 h ASP 4458Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1mx9 h ASP 4458CO 0.55 0.45 0.00 0.23 -1.72 0.00 0.00 179.24 178.75 1mx9 n MET 4459N -3.03 0.19 -3.13 3.56 2.81 -1.26 -4.71 117.12 111.56 1mx9 n MET 4459Ca -0.03 0.23 -0.40 0.00 -1.81 0.00 0.00 57.70 55.68 1mx9 n MET 4459Cb 0.75 -1.76 -0.06 0.00 -0.71 0.00 0.00 33.22 31.44 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 -3.12 4.12 1.17 0.03 2.20 -1.23 -5.06 119.74 117.85 1mx9 s LYS 4460Ca 0.10 0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 56.05 1mx9 s LYS 4460Cb 0.13 -3.64 0.21 0.00 -1.51 0.00 0.00 37.83 33.02 1mx9 s LYS 4460CO 0.53 -0.38 0.42 -0.35 -0.36 0.00 0.00 175.35 175.21 1mx9 n PRO 4461N 5.59 -2.67 0.06 4.03 -0.04 -1.26 -4.85 135.00 135.86 1mx9 n PRO 4461Ca -0.01 -0.78 0.12 0.00 -0.04 0.00 0.00 63.50 62.79 1mx9 n PRO 4461Cb 0.49 -1.73 0.17 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.71 0.00 -0.03 0.54 1.57 -1.97 -3.35 116.57 110.63 1mx9 h LYS 4462Ca -0.42 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.23 1mx9 h LYS 4462Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1mx9 h LYS 4462CO 0.29 0.00 -0.58 1.79 -0.57 0.00 0.00 179.45 180.39 1mx9 h THR 4463N 0.00 1.40 -2.65 -0.16 1.35 -2.04 -3.43 112.91 107.38 1mx9 h THR 4463Ca 0.00 -1.95 -0.57 0.00 -0.55 0.00 0.00 66.41 63.33 1mx9 h THR 4463Cb 0.76 2.03 -0.03 0.00 -1.73 0.00 0.00 68.15 69.17 1mx9 h THR 4463CO 0.00 0.57 1.27 -0.69 -0.25 0.00 0.00 175.52 176.42 1mx9 s VAL 4464N -3.75 3.49 -0.12 6.82 1.01 -1.26 -4.99 120.40 121.60 1mx9 s VAL 4464Ca -0.02 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.46 1mx9 s VAL 4464Cb 0.13 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1mx9 s VAL 4464CO 0.77 -0.45 -0.17 -0.63 0.00 0.00 0.00 175.10 174.61 1mx9 s ILE 4465N 6.96 1.68 0.00 2.22 1.01 -1.26 -4.67 121.20 127.14 1mx9 s ILE 4465Ca 0.78 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1mx9 s ILE 4465Cb -0.21 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1mx9 s ILE 4465CO 0.33 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.35 1mx9 n GLY 4466N 4.21 0.76 3.64 6.18 0.00 -1.15 -3.98 105.19 114.84 1mx9 n GLY 4466Ca -0.19 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.92 2.57 0.24 1.61 2.15 -1.25 -0.33 116.67 118.74 1mx9 s ASP 4467Ca 0.00 1.58 -0.31 0.00 0.43 0.00 0.00 52.55 54.24 1mx9 s ASP 4467Cb 0.00 -2.24 -0.13 0.00 -0.30 0.00 0.00 42.92 40.25 1mx9 s ASP 4467CO 0.00 -3.22 1.54 1.57 -0.17 0.00 0.00 175.17 174.89 1mx9 n HIS 4468N -4.27 2.50 -0.57 -5.34 -0.00 -1.11 -1.35 115.22 105.08 1mx9 n HIS 4468Ca 0.06 0.30 0.00 0.00 -0.00 0.00 0.00 57.72 58.08 1mx9 n HIS 4468Cb 0.55 -2.55 0.00 0.00 -0.00 0.00 0.00 29.99 27.99 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 2.57 1.40 0.30 1.57 0.00 -1.26 -4.85 105.19 104.92 1mx9 n GLY 4469Ca 0.12 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.34 1mx9 n GLY 4469CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx9 h ASP 4470N 0.00 0.00 1.36 1.61 5.19 -1.54 -2.60 116.42 120.44 1mx9 h ASP 4470Ca 0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 1mx9 h ASP 4470Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1mx9 h ASP 4470CO 0.00 0.00 -0.47 1.05 -3.12 0.00 0.00 179.24 176.70 1mx9 h GLU 4471N 0.00 0.00 -0.63 3.56 9.09 -1.90 -3.36 114.58 121.34 1mx9 h GLU 4471Ca 0.00 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.52 1mx9 h GLU 4471Cb 0.09 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.07 1mx9 h GLU 4471CO 0.00 0.47 -0.31 -0.07 0.05 0.00 0.00 179.01 179.15 1mx9 h LEU 4472N 0.00 -1.09 -1.52 3.06 3.38 -1.87 -0.04 115.31 117.22 1mx9 h LEU 4472Ca -0.00 0.23 0.20 0.00 0.09 0.00 0.00 57.88 58.40 1mx9 h LEU 4472Cb 1.27 0.56 -0.06 0.00 0.09 0.00 0.00 40.66 42.52 1mx9 h LEU 4472CO 0.06 -0.29 0.59 -0.26 0.09 0.00 0.00 178.44 178.63 1mx9 h PHE 4473N -0.13 0.53 -0.00 1.13 -1.00 -1.80 0.34 116.94 116.01 1mx9 h PHE 4473Ca 0.26 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.05 1mx9 h PHE 4473Cb 0.55 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1mx9 h PHE 4473CO -0.64 0.14 -0.01 0.77 -1.61 0.00 0.00 178.31 176.96 1mx9 h SER 4474N 0.40 0.01 -0.36 2.17 0.02 -1.29 0.67 113.55 115.18 1mx9 h SER 4474Ca 0.46 -0.73 0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1mx9 h SER 4474Cb 1.16 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1mx9 h SER 4474CO -0.17 0.74 0.24 0.58 -1.14 0.00 0.00 176.83 177.09 1mx9 h VAL 4475N -0.72 0.97 -0.46 2.27 2.07 0.04 -2.57 116.25 117.86 1mx9 h VAL 4475Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1mx9 h VAL 4475Cb 0.75 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1mx9 h VAL 4475CO 0.00 0.05 0.00 0.49 0.02 0.00 0.00 177.57 178.13 1mx9 n PHE 4476N -4.48 1.24 -3.59 1.57 3.01 0.97 -4.80 117.46 111.39 1mx9 n PHE 4476Ca 0.04 -0.70 -0.23 0.00 1.01 0.00 0.00 57.45 57.57 1mx9 n PHE 4476Cb 0.22 -0.28 0.08 0.00 -0.01 0.00 0.00 39.48 39.49 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 0.39 -0.49 0.33 1.37 0.00 -0.97 -4.41 105.19 101.42 1mx9 n GLY 4477Ca 0.22 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.52 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 0.98 1.81 0.00 4.61 0.00 -1.13 -0.83 119.26 124.70 1mx9 h ALA 4478Ca -0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1mx9 h ALA 4478Cb 1.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1mx9 h ALA 4478CO 0.56 0.12 0.00 -2.30 0.00 0.00 0.00 179.25 177.62 1mx9 n PRO 4479N -4.47 0.02 0.00 0.00 -0.02 -1.26 -0.49 135.00 128.78 1mx9 n PRO 4479Ca 0.06 0.28 0.03 0.00 -2.02 0.00 0.00 63.50 61.85 1mx9 n PRO 4479Cb 0.19 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.29 0.00 -0.00 6.00 3.01 -0.32 -4.72 117.46 120.13 1mx9 n PHE 4480Ca 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.46 1mx9 n PHE 4480Cb 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 -0.11 1.10 -4.88 4.37 4.77 -0.30 -5.03 117.00 116.92 1mx9 n LEU 4481Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 1mx9 n LEU 4481Cb 0.12 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1mx9 n LEU 4481CO 0.05 0.19 0.63 -0.54 -1.33 0.00 0.00 177.39 176.39 1mx9 s LYS 4482N -2.01 3.59 0.26 3.23 1.02 0.36 -4.26 119.74 121.92 1mx9 s LYS 4482Ca -0.01 0.58 -0.12 0.00 0.02 0.00 0.00 55.97 56.44 1mx9 s LYS 4482Cb 0.00 -2.18 -0.08 0.00 -0.52 0.00 0.00 37.83 35.05 1mx9 s LYS 4482CO 0.01 -0.44 0.62 -2.00 -0.92 0.00 0.00 175.35 172.62 1mx9 s GLU 4483N -5.00 3.90 -1.00 1.68 2.12 -1.26 -4.60 118.70 114.55 1mx9 s GLU 4483Ca 0.53 0.45 -0.05 0.00 0.36 0.00 0.00 54.97 56.26 1mx9 s GLU 4483Cb -0.11 -2.59 0.01 0.00 0.26 0.00 0.00 34.13 31.70 1mx9 s GLU 4483CO 0.50 0.27 0.64 0.41 -0.54 0.00 0.00 175.26 176.55 1mx9 n GLY 4484N -0.13 -0.11 3.76 -1.50 0.00 -1.26 -5.02 105.19 100.93 1mx9 n GLY 4484Ca 0.01 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.11 3.34 0.99 4.61 0.00 -1.26 -5.02 121.76 121.31 1mx9 s ALA 4485Ca 0.32 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 1mx9 s ALA 4485Cb -0.14 -3.13 0.19 0.00 0.00 0.00 0.00 23.12 20.03 1mx9 s ALA 4485CO 0.39 0.23 1.08 -1.54 0.00 0.00 0.00 175.76 175.92 1mx9 s SER 4486N -1.27 2.50 0.36 0.00 1.04 -1.26 -4.80 113.70 110.26 1mx9 s SER 4486Ca 0.42 1.66 0.03 0.00 0.48 0.00 0.00 55.95 58.54 1mx9 s SER 4486Cb -0.24 -2.30 0.68 0.00 0.10 0.00 0.00 66.02 64.26 1mx9 s SER 4486CO 0.29 -3.28 2.01 -0.08 0.98 0.00 0.00 173.24 173.16 1mx9 h GLU 4487N -1.99 0.74 -0.02 4.02 4.57 -2.00 -2.34 114.58 117.56 1mx9 h GLU 4487Ca -0.52 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1mx9 h GLU 4487Cb 1.30 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1mx9 h GLU 4487CO 0.50 0.51 0.00 1.49 -1.18 0.00 0.00 179.01 180.34 1mx9 h GLU 4488N 0.76 0.03 -0.67 1.92 4.81 -2.01 -2.79 114.58 116.64 1mx9 h GLU 4488Ca 0.20 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1mx9 h GLU 4488Cb -0.05 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 1mx9 h GLU 4488CO -0.04 0.27 0.36 0.93 -0.73 0.00 0.00 179.01 179.80 1mx9 h GLU 4489N -0.21 0.64 -0.87 1.92 5.08 -1.80 -2.28 114.58 117.05 1mx9 h GLU 4489Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1mx9 h GLU 4489Cb 0.25 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1mx9 h GLU 4489CO 0.00 0.42 0.54 0.82 -1.00 0.00 0.00 179.01 179.79 1mx9 h ILE 4490N 0.66 1.24 -0.12 3.13 2.04 -1.42 -1.92 117.51 121.13 1mx9 h ILE 4490Ca 0.31 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1mx9 h ILE 4490Cb 0.22 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1mx9 h ILE 4490CO -0.20 0.25 0.05 -0.09 0.00 0.00 0.00 178.15 178.16 1mx9 h ARG 4491N 1.20 0.17 -0.42 2.37 2.43 -1.14 -2.32 114.38 116.67 1mx9 h ARG 4491Ca 0.32 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1mx9 h ARG 4491Cb -0.07 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1mx9 h ARG 4491CO -0.06 0.27 0.24 1.25 -1.51 0.00 0.00 179.97 180.17 1mx9 h LEU 4492N 0.04 0.50 -0.11 3.80 5.85 -1.20 -0.59 115.31 123.60 1mx9 h LEU 4492Ca 0.04 -0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.49 1mx9 h LEU 4492Cb 0.16 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.08 1mx9 h LEU 4492CO -0.00 0.40 -0.87 -1.28 -0.34 0.00 0.00 178.44 176.34 1mx9 h SER 4493N 0.58 0.93 -0.76 1.25 0.87 -1.23 -0.15 113.55 115.04 1mx9 h SER 4493Ca 0.15 -0.66 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 1mx9 h SER 4493Cb -0.01 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.64 1mx9 h SER 4493CO -0.03 1.46 0.45 0.11 -0.53 0.00 0.00 176.83 178.29 1mx9 h LYS 4494N 0.49 1.05 0.15 2.24 1.57 -0.89 0.58 116.57 121.74 1mx9 h LYS 4494Ca -0.08 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1mx9 h LYS 4494Cb 1.51 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1mx9 h LYS 4494CO 0.18 0.74 -0.07 1.98 -0.57 0.00 0.00 179.45 181.71 1mx9 h MET 4495N 1.06 -0.19 -0.96 3.15 4.05 -0.98 -2.52 114.93 118.53 1mx9 h MET 4495Ca 0.28 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.79 1mx9 h MET 4495Cb -0.03 0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 30.75 1mx9 h MET 4495CO -0.05 0.21 0.62 0.28 0.23 0.00 0.00 176.91 178.21 1mx9 h VAL 4496N -0.66 1.04 -0.34 -5.77 2.07 -0.78 -2.28 116.25 109.53 1mx9 h VAL 4496Ca -0.02 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 1mx9 h VAL 4496Cb 0.49 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1mx9 h VAL 4496CO 0.03 0.20 -0.01 0.24 0.02 0.00 0.00 177.57 178.05 1mx9 h MET 4497N 1.08 0.61 0.54 1.57 2.07 -0.89 -1.52 114.93 118.38 1mx9 h MET 4497Ca 0.43 -0.20 -0.02 0.00 -2.07 0.00 0.00 59.70 57.84 1mx9 h MET 4497Cb 0.25 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.91 1mx9 h MET 4497CO -0.18 0.74 -0.46 0.87 1.07 0.00 0.00 176.91 178.95 1mx9 h LYS 4498N 0.41 -0.95 -0.72 1.72 1.79 -1.04 0.18 116.57 117.97 1mx9 h LYS 4498Ca 0.09 0.06 0.09 0.00 -2.18 0.00 0.00 60.65 58.72 1mx9 h LYS 4498Cb 0.47 0.22 -0.11 0.00 -1.58 0.00 0.00 32.23 31.22 1mx9 h LYS 4498CO 0.02 -0.63 -0.49 0.74 -1.08 0.00 0.00 179.45 178.01 1mx9 h PHE 4499N -0.98 -1.49 -0.78 -1.35 0.05 -1.42 1.46 116.94 112.43 1mx9 h PHE 4499Ca -0.06 0.10 0.04 0.00 3.82 0.00 0.00 57.97 61.86 1mx9 h PHE 4499Cb 0.84 0.75 -0.05 0.00 2.00 0.00 0.00 35.95 39.49 1mx9 h PHE 4499CO -0.20 -0.42 0.49 -1.49 -0.18 0.00 0.00 178.31 176.51 1mx9 h TRP 4500N -0.17 0.92 -0.08 -0.55 -0.00 -1.03 -0.53 115.95 114.51 1mx9 h TRP 4500Ca 0.18 0.02 -0.22 0.00 -0.00 0.00 0.00 58.89 58.88 1mx9 h TRP 4500Cb 0.54 -0.30 0.01 0.00 -0.00 0.00 0.00 29.16 29.40 1mx9 h TRP 4500CO -0.82 0.52 -0.83 0.00 -0.00 0.00 0.00 178.44 177.31 1mx9 h ALA 4501N 1.33 0.38 0.00 1.49 0.00 0.94 -1.57 119.26 121.84 1mx9 h ALA 4501Ca 0.32 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1mx9 h ALA 4501Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mx9 h ALA 4501CO -0.12 0.73 -0.25 -0.91 0.00 0.00 0.00 179.25 178.71 1mx9 h ASN 4502N 0.38 0.00 -0.11 0.00 2.35 0.22 0.17 115.58 118.60 1mx9 h ASN 4502Ca -0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1mx9 h ASN 4502Cb 1.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.82 1mx9 h ASN 4502CO 0.16 0.25 -0.11 0.15 -1.65 0.00 0.00 177.43 176.22 1mx9 h PHE 4503N 0.00 0.32 0.00 1.19 3.57 -0.86 0.13 116.94 121.29 1mx9 h PHE 4503Ca -0.00 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 1mx9 h PHE 4503Cb 0.44 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1mx9 h PHE 4503CO 0.00 0.68 -0.01 0.00 -2.23 0.00 0.00 178.31 176.75 1mx9 h ALA 4504N 0.58 1.19 0.00 2.41 0.00 -0.59 0.04 119.26 122.89 1mx9 h ALA 4504Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mx9 h ALA 4504Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1mx9 h ALA 4504CO 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.29 1mx9 h ARG 4505N 0.00 0.00 0.00 0.00 3.08 -0.07 -3.44 114.38 113.95 1mx9 h ARG 4505Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mx9 h ARG 4505Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1mx9 h ARG 4505CO 0.00 0.00 -0.15 0.09 -1.07 0.00 0.00 179.97 178.84 1mx9 n ASN 4506N -4.53 1.67 -0.47 7.04 3.02 0.40 -4.97 115.26 117.43 1mx9 n ASN 4506Ca -0.00 -2.78 -0.06 0.00 -0.03 0.00 0.00 54.58 51.70 1mx9 n ASN 4506Cb 0.00 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.02 0.74 3.02 7.41 0.00 -0.01 -4.93 105.19 110.40 1mx9 n GLY 4507Ca 0.11 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.38 0.31 0.36 1.61 3.84 -1.26 -4.95 114.94 112.47 1mx9 s ASN 4508Ca 0.00 0.61 0.16 0.00 0.21 0.00 0.00 52.86 53.84 1mx9 s ASN 4508Cb 0.00 0.73 0.67 0.00 -0.55 0.00 0.00 41.25 42.10 1mx9 s ASN 4508CO 0.00 -0.24 1.75 1.55 -2.79 0.00 0.00 177.10 177.37 1mx9 h PRO 4509N 8.26 0.00 -6.59 0.43 0.13 -1.79 -3.30 132.00 129.15 1mx9 h PRO 4509Ca -0.15 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.39 1mx9 h PRO 4509Cb 1.11 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.35 1mx9 h PRO 4509CO 0.14 0.41 0.33 0.09 -0.23 0.00 0.00 178.00 178.74 1mx9 n ASN 4510N -3.72 2.01 -2.01 1.44 3.02 -1.26 -4.42 115.26 110.31 1mx9 n ASN 4510Ca -0.01 1.19 -0.05 0.00 -0.03 0.00 0.00 54.58 55.68 1mx9 n ASN 4510Cb 0.49 -1.38 0.02 0.00 -0.61 0.00 0.00 39.78 38.30 1mx9 n ASN 4510CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx9 n GLY 4511N 1.16 1.40 3.73 7.41 0.00 -1.26 -5.01 105.19 112.62 1mx9 n GLY 4511Ca 0.08 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1mx9 n GLY 4511CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mx9 s GLU 4512N -2.05 4.43 -1.13 1.61 2.02 -1.26 -3.13 118.70 119.19 1mx9 s GLU 4512Ca 0.09 1.93 -0.05 0.00 0.02 0.00 0.00 54.97 56.96 1mx9 s GLU 4512Cb -0.03 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.96 1mx9 s GLU 4512CO 0.06 -0.21 0.69 0.41 0.02 0.00 0.00 175.26 176.23 1mx9 n GLY 4513N 2.59 -0.22 2.85 -1.39 0.00 -1.26 -5.02 105.19 102.74 1mx9 n GLY 4513Ca 0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.55 1.77 0.67 0.99 1.43 -1.18 -5.09 118.68 111.71 1mx9 s LEU 4514Ca 0.34 0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.27 1mx9 s LEU 4514Cb -0.15 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.03 1mx9 s LEU 4514CO 0.42 -0.03 1.14 -2.65 0.23 0.00 0.00 176.35 175.46 1mx9 n PRO 4515N 3.35 0.85 -2.22 1.29 -0.02 -1.26 -4.69 135.00 132.30 1mx9 n PRO 4515Ca -0.16 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 1mx9 n PRO 4515Cb 0.57 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.57 2.70 -0.45 6.00 2.46 -1.26 -4.82 115.29 118.35 1mx9 s HIS 4516Ca 0.79 0.74 -0.12 0.00 0.47 0.00 0.00 55.06 56.94 1mx9 s HIS 4516Cb -0.37 -3.68 0.09 0.00 -0.13 0.00 0.00 32.58 28.49 1mx9 s HIS 4516CO 0.45 -2.56 0.34 -0.46 -2.47 0.00 0.00 174.74 170.03 1mx9 s TRP 4517N 2.87 3.31 0.26 3.88 -0.11 -1.26 -4.21 118.94 123.69 1mx9 s TRP 4517Ca 0.64 -1.37 -0.30 0.00 1.22 0.00 0.00 56.10 56.29 1mx9 s TRP 4517Cb -0.30 -3.18 -0.11 0.00 -1.50 0.00 0.00 33.47 28.38 1mx9 s TRP 4517CO 0.25 -0.87 1.54 -1.25 -4.62 0.00 0.00 176.95 172.00 1mx9 s PRO 4518N 1.50 4.19 0.28 5.86 0.04 -1.26 -4.84 135.00 140.77 1mx9 s PRO 4518Ca 0.04 2.46 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 1mx9 s PRO 4518Cb -0.25 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.13 1mx9 s PRO 4518CO 0.03 -0.55 1.28 -2.00 0.04 0.00 0.00 177.00 175.80 1mx9 s GLU 4519N -0.28 4.41 -1.30 4.56 2.12 -1.26 -4.30 118.70 122.65 1mx9 s GLU 4519Ca 0.63 2.10 -0.18 0.00 0.36 0.00 0.00 54.97 57.87 1mx9 s GLU 4519Cb -0.45 -3.13 0.05 0.00 0.26 0.00 0.00 34.13 30.86 1mx9 s GLU 4519CO 0.44 -0.14 1.80 0.98 -0.54 0.00 0.00 175.26 177.80 1mx9 n TYR 4520N 1.47 4.37 0.00 5.30 9.36 0.11 -4.23 117.16 133.54 1mx9 n TYR 4520Ca 0.02 -2.70 0.00 0.00 3.32 0.00 0.00 57.90 58.54 1mx9 n TYR 4520Cb 0.43 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.51 1mx9 n TYR 4520CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1mx9 n ASN 4521N 8.84 0.00 0.13 2.98 0.23 -1.26 -4.66 115.26 121.52 1mx9 n ASN 4521Ca 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.54 1mx9 n ASN 4521Cb 0.46 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.27 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 -2.00 -3.04 115.11 107.32 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 0.62 0.00 0.87 -0.95 0.00 0.00 178.83 179.37 1mx9 h LYS 4523N 0.00 0.00 -3.07 1.46 1.57 -1.94 -3.47 116.57 111.12 1mx9 h LYS 4523Ca -0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 1mx9 h LYS 4523Cb 1.27 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.63 1mx9 h LYS 4523CO 0.08 0.00 -0.38 0.39 -0.57 0.00 0.00 179.45 178.97 1mx9 n GLU 4524N -2.82 -3.25 -2.45 3.15 -0.58 -1.15 -4.10 120.64 109.44 1mx9 n GLU 4524Ca 0.02 0.57 -0.37 0.00 -0.42 0.00 0.00 57.16 56.96 1mx9 n GLU 4524Cb 0.32 -4.71 -0.03 0.00 -0.57 0.00 0.00 31.44 26.45 1mx9 n GLU 4524CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1mx9 s GLY 4525N -2.85 2.73 0.22 0.62 0.00 -1.26 -1.23 107.32 105.55 1mx9 s GLY 4525Ca 0.21 0.77 -0.16 0.00 0.00 0.00 0.00 44.72 45.54 1mx9 s GLY 4525CO 0.26 1.21 0.53 -2.52 0.00 0.00 0.00 173.10 172.57 1mx9 s TYR 4526N -1.64 0.02 -0.11 1.90 -0.85 -0.36 -3.76 117.35 112.55 1mx9 s TYR 4526Ca 0.60 -0.38 -0.05 0.00 -0.52 0.00 0.00 57.07 56.72 1mx9 s TYR 4526Cb -0.24 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.43 1mx9 s TYR 4526CO 0.29 -0.97 0.06 -1.17 -1.52 0.00 0.00 175.55 172.25 1mx9 s LEU 4527N -2.92 3.94 -0.26 -3.49 2.96 -0.61 0.28 118.68 118.58 1mx9 s LEU 4527Ca 0.13 0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 54.21 1mx9 s LEU 4527Cb -0.01 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1mx9 s LEU 4527CO 0.02 0.37 0.15 -1.10 -1.32 0.00 0.00 176.35 174.47 1mx9 s GLN 4528N -0.80 3.92 -0.14 1.98 -0.21 -1.02 -1.00 119.66 122.39 1mx9 s GLN 4528Ca 0.13 -0.34 -0.02 0.00 0.02 0.00 0.00 55.36 55.14 1mx9 s GLN 4528Cb -0.12 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.33 1mx9 s GLN 4528CO 0.03 -0.10 -0.06 0.42 -2.12 0.00 0.00 175.29 173.45 1mx9 s ILE 4529N 1.50 3.70 -2.91 1.08 1.01 -1.00 -2.61 121.20 121.96 1mx9 s ILE 4529Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1mx9 s ILE 4529Cb -0.15 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1mx9 s ILE 4529CO 0.08 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.14 1mx9 n GLY 4530N 3.34 -0.63 0.34 6.18 0.00 -1.26 0.60 105.19 113.76 1mx9 n GLY 4530Ca -0.18 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 1.49 -3.19 4.61 0.00 -1.97 -3.34 119.26 116.87 1mx9 h ALA 4531Ca 0.00 0.08 -0.65 0.00 0.00 0.00 0.00 54.91 54.34 1mx9 h ALA 4531Cb 0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 17.79 17.38 1mx9 h ALA 4531CO 0.00 -0.04 -0.86 -0.80 0.00 0.00 0.00 179.25 177.56 1mx9 s ASN 4532N -5.45 2.93 -0.25 0.00 0.01 -1.26 -5.10 114.94 105.82 1mx9 s ASN 4532Ca -0.12 -0.56 -0.02 0.00 -0.71 0.00 0.00 52.86 51.45 1mx9 s ASN 4532Cb 0.23 -1.35 0.03 0.00 0.41 0.00 0.00 41.25 40.57 1mx9 s ASN 4532CO 0.79 0.04 -0.05 -0.89 -1.51 0.00 0.00 177.10 175.49 1mx9 s THR 4533N 0.99 2.97 -0.04 1.60 2.01 -1.26 -4.57 115.64 117.34 1mx9 s THR 4533Ca -0.04 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 1mx9 s THR 4533Cb -0.15 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.86 1mx9 s THR 4533CO -0.04 0.18 0.27 0.00 -0.69 0.00 0.00 174.62 174.34 1mx9 s GLN 4534N 1.34 0.54 0.56 4.92 0.00 -1.07 -4.90 119.66 121.05 1mx9 s GLN 4534Ca 0.00 -0.07 -0.21 0.00 -0.00 0.00 0.00 55.36 55.08 1mx9 s GLN 4534Cb -0.17 0.24 -0.04 0.00 0.00 0.00 0.00 33.01 33.04 1mx9 s GLN 4534CO -0.04 -0.13 1.35 0.00 0.00 0.00 0.00 175.29 176.48 1mx9 s ALA 4535N -0.93 2.75 0.14 2.60 0.00 -1.26 -2.43 121.76 122.63 1mx9 s ALA 4535Ca -0.10 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.22 1mx9 s ALA 4535Cb -0.05 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 1mx9 s ALA 4535CO 0.03 -1.43 0.11 0.00 0.00 0.00 0.00 175.76 174.47 1mx9 n ALA 4536N -1.18 0.30 -3.37 0.00 0.00 0.14 -4.87 120.51 111.53 1mx9 n ALA 4536Ca 0.11 -0.81 -0.15 0.00 0.00 0.00 0.00 53.44 52.59 1mx9 n ALA 4536Cb 0.45 0.65 -0.06 0.00 0.00 0.00 0.00 19.45 20.49 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 -2.57 0.97 -0.72 0.00 -0.21 -1.26 -1.22 119.66 114.66 1mx9 s GLN 4537Ca 0.16 -0.04 -0.02 0.00 0.02 0.00 0.00 55.36 55.48 1mx9 s GLN 4537Cb 0.01 0.45 -0.03 0.00 1.00 0.00 0.00 33.01 34.44 1mx9 s GLN 4537CO 0.11 -0.32 0.61 1.63 -2.12 0.00 0.00 175.29 175.21 1mx9 n LYS 4538N 0.77 -2.50 -2.20 2.91 4.76 -0.36 -4.96 118.16 116.58 1mx9 n LYS 4538Ca -0.19 0.56 -0.42 0.00 -2.87 0.00 0.00 58.31 55.38 1mx9 n LYS 4538Cb 0.58 -4.45 -0.03 0.00 -1.84 0.00 0.00 35.03 29.30 1mx9 n LYS 4538CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1mx9 s LEU 4539N -4.65 4.34 -0.68 -0.35 2.96 -1.26 -3.13 118.68 115.91 1mx9 s LEU 4539Ca 0.19 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 1mx9 s LEU 4539Cb -0.02 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1mx9 s LEU 4539CO 0.48 -0.69 0.00 0.29 -1.32 0.00 0.00 176.35 175.11 1mx9 n LYS 4540N 4.75 -2.30 0.19 1.98 4.76 -1.26 -4.83 118.16 121.44 1mx9 n LYS 4540Ca 0.12 0.38 -0.15 0.00 -2.87 0.00 0.00 58.31 55.79 1mx9 n LYS 4540Cb 0.43 -4.88 -0.08 0.00 -1.84 0.00 0.00 35.03 28.67 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 -1.12 -0.28 4.39 -0.00 -1.94 -1.38 116.42 116.09 1mx9 h ASP 4541Ca -0.18 0.11 0.00 0.00 -0.00 0.00 0.00 57.03 56.96 1mx9 h ASP 4541Cb 1.03 0.40 -0.01 0.00 -0.00 0.00 0.00 39.33 40.75 1mx9 h ASP 4541CO 0.22 -0.51 0.18 0.11 -0.00 0.00 0.00 179.24 179.23 1mx9 h LYS 4542N -0.73 0.37 -0.77 0.28 1.57 -1.88 -2.30 116.57 113.11 1mx9 h LYS 4542Ca -0.01 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.86 1mx9 h LYS 4542Cb 0.70 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1mx9 h LYS 4542CO -0.14 0.25 0.51 0.93 -0.57 0.00 0.00 179.45 180.43 1mx9 h GLU 4543N 0.37 0.58 -0.14 3.15 3.07 -1.91 -0.36 114.58 119.33 1mx9 h GLU 4543Ca 0.10 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1mx9 h GLU 4543Cb -0.03 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.75 1mx9 h GLU 4543CO -0.02 0.38 -0.05 0.28 -1.40 0.00 0.00 179.01 178.21 1mx9 h VAL 4544N 0.60 1.30 -0.42 3.13 2.07 -0.78 -2.20 116.25 119.94 1mx9 h VAL 4544Ca 0.37 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1mx9 h VAL 4544Cb 0.61 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1mx9 h VAL 4544CO -0.14 0.30 0.26 0.00 0.02 0.00 0.00 177.57 178.01 1mx9 h ALA 4545N 0.69 0.53 0.78 1.67 0.00 -0.74 -0.55 119.26 121.64 1mx9 h ALA 4545Ca 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1mx9 h ALA 4545Cb 0.49 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1mx9 h ALA 4545CO 0.02 0.02 -0.37 0.35 0.00 0.00 0.00 179.25 179.26 1mx9 h PHE 4546N 0.55 -0.97 -0.41 0.00 3.57 -1.10 -2.83 116.94 115.75 1mx9 h PHE 4546Ca 0.15 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1mx9 h PHE 4546Cb -0.01 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1mx9 h PHE 4546CO -0.04 -0.59 0.21 -1.49 -2.23 0.00 0.00 178.31 174.17 1mx9 h TRP 4547N -1.10 0.59 -1.25 0.41 4.06 -1.42 -0.25 115.95 116.98 1mx9 h TRP 4547Ca -0.11 -0.02 0.37 0.00 2.06 0.00 0.00 58.89 61.19 1mx9 h TRP 4547Cb 0.81 -0.18 -0.09 0.00 -1.00 0.00 0.00 29.16 28.70 1mx9 h TRP 4547CO -0.01 0.47 0.84 1.15 -3.56 0.00 0.00 178.44 177.34 1mx9 h THR 4548N 0.53 0.32 0.00 1.49 2.02 -1.11 0.70 112.91 116.86 1mx9 h THR 4548Ca 0.14 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 1mx9 h THR 4548Cb 0.10 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1mx9 h THR 4548CO -0.02 0.03 -0.62 -1.13 0.37 0.00 0.00 175.52 174.15 1mx9 h ASN 4549N 0.16 0.00 -0.83 4.18 -1.24 -1.09 -3.09 115.58 113.68 1mx9 h ASN 4549Ca 0.69 -0.57 0.13 0.00 0.71 0.00 0.00 56.30 57.26 1mx9 h ASN 4549Cb 2.24 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 41.20 1mx9 h ASN 4549CO -0.24 1.15 0.43 0.25 -1.29 0.00 0.00 177.43 177.73 1mx9 h LEU 4550N -1.00 0.54 -0.68 0.34 5.85 -0.18 -0.21 115.31 119.97 1mx9 h LEU 4550Ca -0.16 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1mx9 h LEU 4550Cb 0.99 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1mx9 h LEU 4550CO -0.09 0.26 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.93 1mx9 h PHE 4551N 0.65 1.05 0.00 1.25 0.05 -1.07 -2.33 116.94 116.54 1mx9 h PHE 4551Ca 0.44 -0.19 0.00 0.00 3.82 0.00 0.00 57.97 62.03 1mx9 h PHE 4551Cb 0.57 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.25 1mx9 h PHE 4551CO -0.09 0.97 0.00 0.00 -0.18 0.00 0.00 178.31 179.01 1mx9 n ALA 4552N -2.49 2.86 -0.11 2.45 0.00 -0.11 -5.11 120.51 118.01 1mx9 n ALA 4552Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1mx9 n ALA 4552Cb 0.37 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1mx9 n ALA 4552CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13