#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx9 n PRO 5023N 0.00 0.60 -2.52 4.33 -0.04 -1.26 -4.94 135.00 131.17 1mx9 n PRO 5023Ca 0.00 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 1mx9 n PRO 5023Cb 0.00 -1.97 -0.04 0.00 -0.04 0.00 0.00 33.50 31.45 1mx9 n PRO 5023CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1mx9 s PRO 5024N -2.64 4.64 -0.08 0.54 0.04 -1.26 -4.95 135.00 131.29 1mx9 s PRO 5024Ca 0.72 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 63.49 1mx9 s PRO 5024Cb -0.40 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 30.92 1mx9 s PRO 5024CO 0.51 0.18 -0.04 0.08 0.04 0.00 0.00 177.00 177.77 1mx9 s VAL 5025N -0.73 0.68 0.07 -0.36 1.01 -1.26 -2.11 120.40 117.71 1mx9 s VAL 5025Ca 0.46 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.42 1mx9 s VAL 5025Cb -0.30 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1mx9 s VAL 5025CO 0.37 0.29 -0.24 -0.69 0.00 0.00 0.00 175.10 174.84 1mx9 s VAL 5026N 1.52 2.37 -0.34 2.92 1.01 -0.94 -4.95 120.40 122.00 1mx9 s VAL 5026Ca -0.01 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.40 1mx9 s VAL 5026Cb -0.13 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1mx9 s VAL 5026CO -0.04 0.26 0.21 -1.81 0.00 0.00 0.00 175.10 173.72 1mx9 s ASP 5027N -1.58 5.87 0.34 3.32 -0.00 -1.26 -0.39 116.67 122.97 1mx9 s ASP 5027Ca 0.13 -0.51 0.07 0.00 -0.00 0.00 0.00 52.55 52.24 1mx9 s ASP 5027Cb -0.10 -2.09 -0.01 0.00 -0.00 0.00 0.00 42.92 40.72 1mx9 s ASP 5027CO 0.04 -0.24 0.41 0.42 -0.00 0.00 0.00 175.17 175.81 1mx9 s THR 5028N 1.67 3.77 0.51 -1.27 -4.23 -1.07 -4.88 115.64 110.14 1mx9 s THR 5028Ca 0.05 -1.14 0.34 0.00 -1.18 0.00 0.00 61.69 59.77 1mx9 s THR 5028Cb -0.17 -3.29 0.54 0.00 1.34 0.00 0.00 72.50 70.91 1mx9 s THR 5028CO 0.09 -0.15 1.76 0.58 -0.54 0.00 0.00 174.62 176.36 1mx9 h VAL 5029N 1.01 0.36 -0.03 2.29 2.07 -1.94 0.53 116.25 120.53 1mx9 h VAL 5029Ca -0.45 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1mx9 h VAL 5029Cb 1.26 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1mx9 h VAL 5029CO 0.54 0.02 -0.08 1.41 0.02 0.00 0.00 177.57 179.48 1mx9 n HIS 5030N -4.29 0.00 0.00 1.57 8.25 -1.26 -5.02 115.22 114.48 1mx9 n HIS 5030Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1mx9 n HIS 5030Cb 1.28 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.39 1mx9 n HIS 5030CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mx9 n GLY 5031N 1.34 4.05 3.75 -1.41 0.00 0.17 -0.96 105.19 112.13 1mx9 n GLY 5031Ca 0.14 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1mx9 n GLY 5031CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mx9 n LYS 5032N -1.83 2.75 -5.22 1.61 5.02 -1.24 -2.61 118.16 116.64 1mx9 n LYS 5032Ca 0.00 0.98 -0.31 0.00 -2.02 0.00 0.00 58.31 56.95 1mx9 n LYS 5032Cb 0.00 -2.77 -0.16 0.00 -0.02 0.00 0.00 35.03 32.08 1mx9 n LYS 5032CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1mx9 s VAL 5033N 0.12 2.23 -0.29 -0.18 -7.23 0.48 0.81 120.40 116.34 1mx9 s VAL 5033Ca 0.65 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.75 1mx9 s VAL 5033Cb -0.49 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 34.67 1mx9 s VAL 5033CO 0.47 0.58 0.03 -0.22 -0.31 0.00 0.00 175.10 175.64 1mx9 s LEU 5034N -0.44 3.75 0.00 1.32 0.20 0.52 -2.20 118.68 121.82 1mx9 s LEU 5034Ca 0.05 -0.93 0.00 0.00 0.69 0.00 0.00 54.13 53.94 1mx9 s LEU 5034Cb -0.12 -1.79 0.00 0.00 -0.43 0.00 0.00 46.19 43.86 1mx9 s LEU 5034CO 0.01 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.47 1mx9 n GLY 5035N 4.76 4.38 2.95 7.98 0.00 -0.90 -0.23 105.19 124.13 1mx9 n GLY 5035Ca -0.14 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 1mx9 n GLY 5035CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx9 s LYS 5036N 2.40 0.19 -0.16 1.61 -2.85 -0.05 -4.27 119.74 116.61 1mx9 s LYS 5036Ca 0.00 -0.30 -0.20 0.00 -1.00 0.00 0.00 55.97 54.47 1mx9 s LYS 5036Cb 0.00 0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.81 1mx9 s LYS 5036CO 0.00 -0.03 0.58 -0.06 0.10 0.00 0.00 175.35 175.94 1mx9 s PHE 5037N -0.78 3.44 -0.21 1.78 2.99 -1.26 0.07 117.98 124.00 1mx9 s PHE 5037Ca -0.09 0.94 -0.01 0.00 0.00 0.00 0.00 56.93 57.77 1mx9 s PHE 5037Cb -0.05 -2.72 0.06 0.00 0.00 0.00 0.00 43.02 40.31 1mx9 s PHE 5037CO -0.00 -0.04 0.00 0.08 -0.00 0.00 0.00 175.22 175.26 1mx9 s VAL 5038N 1.39 0.94 0.39 -0.44 1.01 0.27 -4.92 120.40 119.04 1mx9 s VAL 5038Ca 0.28 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 1mx9 s VAL 5038Cb -0.16 -1.36 -0.10 0.00 0.00 0.00 0.00 36.38 34.76 1mx9 s VAL 5038CO 0.11 -0.18 0.96 -0.44 0.00 0.00 0.00 175.10 175.55 1mx9 s SER 5039N 1.66 7.06 0.13 3.32 0.01 -1.26 -1.52 113.70 123.10 1mx9 s SER 5039Ca -0.03 1.80 0.10 0.00 1.31 0.00 0.00 55.95 59.13 1mx9 s SER 5039Cb -0.18 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 1mx9 s SER 5039CO -0.08 -0.27 -0.19 -0.22 0.41 0.00 0.00 173.24 172.89 1mx9 s LEU 5040N -2.68 2.64 0.22 2.44 2.96 -1.26 -4.95 118.68 118.05 1mx9 s LEU 5040Ca 0.57 -0.63 -0.32 0.00 -0.22 0.00 0.00 54.13 53.54 1mx9 s LEU 5040Cb -0.15 -1.46 -0.14 0.00 0.50 0.00 0.00 46.19 44.94 1mx9 s LEU 5040CO 0.19 0.16 1.37 1.21 -1.32 0.00 0.00 176.35 177.97 1mx9 n GLU 5041N 0.67 1.88 -0.59 1.98 4.07 -1.26 -2.02 120.64 125.38 1mx9 n GLU 5041Ca -0.15 0.67 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 1mx9 n GLU 5041Cb 0.53 -2.31 0.00 0.00 -0.06 0.00 0.00 31.44 29.61 1mx9 n GLU 5041CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1mx9 n GLY 5042N 2.19 1.49 3.03 8.31 0.00 -1.26 -4.99 105.19 113.97 1mx9 n GLY 5042Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1mx9 n GLY 5042CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mx9 s PHE 5043N -3.27 2.02 0.00 1.61 0.40 -0.85 -5.07 117.98 112.81 1mx9 s PHE 5043Ca 0.00 -1.03 0.00 0.00 -0.60 0.00 0.00 56.93 55.30 1mx9 s PHE 5043Cb 0.00 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 42.05 1mx9 s PHE 5043CO 0.00 -0.55 0.39 0.00 0.70 0.00 0.00 175.22 175.76 1mx9 n ALA 5044N 4.47 0.00 -1.41 5.36 0.00 -1.26 -4.26 120.51 123.40 1mx9 n ALA 5044Ca -0.18 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.78 1mx9 n ALA 5044Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.83 1mx9 n ALA 5044CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1mx9 n GLN 5045N -0.39 0.11 -1.03 0.00 -0.06 -1.26 -4.86 117.38 109.88 1mx9 n GLN 5045Ca 0.00 0.02 -0.33 0.00 -2.00 0.00 0.00 57.00 54.69 1mx9 n GLN 5045Cb 0.00 -1.65 0.13 0.00 -4.06 0.00 0.00 30.24 24.67 1mx9 n GLN 5045CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 1mx9 s PRO 5046N 7.79 1.55 0.20 3.69 0.02 -1.26 -4.86 135.00 142.12 1mx9 s PRO 5046Ca 1.27 1.65 -0.22 0.00 0.02 0.00 0.00 61.00 63.71 1mx9 s PRO 5046Cb -1.27 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 31.39 1mx9 s PRO 5046CO 0.54 -2.26 0.75 0.08 -0.33 0.00 0.00 177.00 175.78 1mx9 s VAL 5047N -2.35 4.47 -0.38 3.83 1.01 -0.58 -4.82 120.40 121.58 1mx9 s VAL 5047Ca 0.70 1.50 -0.17 0.00 0.00 0.00 0.00 61.98 64.01 1mx9 s VAL 5047Cb -0.26 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1mx9 s VAL 5047CO 0.52 0.36 0.43 0.00 0.00 0.00 0.00 175.10 176.41 1mx9 s ALA 5048N -1.35 3.46 -0.19 5.51 0.00 -0.05 -0.56 121.76 128.58 1mx9 s ALA 5048Ca 0.40 -1.33 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 1mx9 s ALA 5048Cb -0.20 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1mx9 s ALA 5048CO 0.23 -1.36 0.03 0.42 0.00 0.00 0.00 175.76 175.09 1mx9 s ILE 5049N 2.15 4.42 -0.20 0.00 1.01 0.11 -1.82 121.20 126.88 1mx9 s ILE 5049Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1mx9 s ILE 5049Cb -0.17 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.34 1mx9 s ILE 5049CO 0.13 0.45 -0.16 -0.36 0.00 0.00 0.00 174.94 175.00 1mx9 s PHE 5050N 0.58 2.78 -0.13 3.97 0.40 -0.52 -0.87 117.98 124.20 1mx9 s PHE 5050Ca 0.01 -1.75 -0.02 0.00 -0.60 0.00 0.00 56.93 54.58 1mx9 s PHE 5050Cb -0.13 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 1mx9 s PHE 5050CO 0.02 -0.80 -0.08 -0.51 0.70 0.00 0.00 175.22 174.55 1mx9 s LEU 5051N 1.28 3.05 -0.44 -0.37 1.43 -0.50 -0.88 118.68 122.24 1mx9 s LEU 5051Ca 0.01 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1mx9 s LEU 5051Cb -0.15 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1mx9 s LEU 5051CO -0.10 0.21 0.38 0.61 0.23 0.00 0.00 176.35 177.67 1mx9 n GLY 5052N 3.26 0.11 3.64 -3.19 0.00 -1.25 -3.99 105.19 103.78 1mx9 n GLY 5052Ca -0.18 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1mx9 n GLY 5052CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx9 s ILE 5053N -3.15 5.28 0.14 -0.61 1.01 -1.01 -4.85 121.20 118.01 1mx9 s ILE 5053Ca 0.09 0.38 -0.31 0.00 0.00 0.00 0.00 60.65 60.82 1mx9 s ILE 5053Cb -0.01 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 1mx9 s ILE 5053CO 0.29 0.27 1.32 -2.16 0.00 0.00 0.00 174.94 174.67 1mx9 s PRO 5054N 1.40 4.37 0.00 2.79 0.04 -1.26 -1.98 135.00 140.36 1mx9 s PRO 5054Ca 0.12 2.01 0.06 0.00 0.04 0.00 0.00 61.00 63.22 1mx9 s PRO 5054Cb -0.15 -3.25 0.05 0.00 0.04 0.00 0.00 34.50 31.20 1mx9 s PRO 5054CO 0.07 -0.33 0.71 1.97 0.04 0.00 0.00 177.00 179.46 1mx9 n PHE 5055N 3.44 0.01 -3.48 0.56 1.16 -1.10 -4.92 117.46 113.13 1mx9 n PHE 5055Ca 0.09 -0.02 -0.15 0.00 -1.87 0.00 0.00 57.45 55.50 1mx9 n PHE 5055Cb 0.43 -0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.26 1mx9 n PHE 5055CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mx9 s ALA 5056N -0.53 -1.71 0.09 1.98 0.00 -1.26 -4.37 121.76 115.97 1mx9 s ALA 5056Ca 0.07 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 52.73 1mx9 s ALA 5056Cb 0.05 0.33 -0.08 0.00 0.00 0.00 0.00 23.12 23.42 1mx9 s ALA 5056CO 0.08 -0.53 1.57 0.21 0.00 0.00 0.00 175.76 177.09 1mx9 s LYS 5057N -2.20 4.23 -0.32 0.00 2.20 0.63 -4.55 119.74 119.72 1mx9 s LYS 5057Ca -0.06 2.26 -0.42 0.00 -0.36 0.00 0.00 55.97 57.40 1mx9 s LYS 5057Cb -0.00 -3.44 -0.16 0.00 -1.51 0.00 0.00 37.83 32.71 1mx9 s LYS 5057CO 0.01 -0.65 1.71 -2.30 -0.36 0.00 0.00 175.35 173.76 1mx9 n PRO 5058N 4.96 0.92 -1.99 4.03 -0.02 -1.26 -4.43 135.00 137.21 1mx9 n PRO 5058Ca 0.14 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.61 1mx9 n PRO 5058Cb 0.41 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.86 1mx9 n PRO 5058CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1mx9 n PRO 5059N 5.10 2.07 -4.44 0.52 -0.04 -1.26 -4.90 135.00 132.05 1mx9 n PRO 5059Ca 0.27 -2.56 -0.24 0.00 -0.04 0.00 0.00 63.50 60.93 1mx9 n PRO 5059Cb 0.09 -3.49 -0.10 0.00 -0.04 0.00 0.00 33.50 29.97 1mx9 n PRO 5059CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx9 s LEU 5060N 6.84 2.68 0.00 1.53 1.43 -1.26 -4.31 118.68 125.59 1mx9 s LEU 5060Ca 0.61 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1mx9 s LEU 5060Cb 0.04 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1mx9 s LEU 5060CO 0.10 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1mx9 n GLY 5061N -0.58 2.35 0.35 -3.19 0.00 -1.26 -1.17 105.19 101.69 1mx9 n GLY 5061Ca -0.06 0.35 -0.00 0.00 0.00 0.00 0.00 46.02 46.30 1mx9 n GLY 5061CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mx9 h PRO 5062N 0.00 -0.04 0.00 1.61 0.11 -1.96 0.21 132.00 131.93 1mx9 h PRO 5062Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1mx9 h PRO 5062Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1mx9 h PRO 5062CO 0.00 -0.03 0.00 1.28 -0.21 0.00 0.00 178.00 179.04 1mx9 n LEU 5063N -5.49 0.00 -4.72 2.35 4.77 -0.32 -4.75 117.00 108.84 1mx9 n LEU 5063Ca 0.10 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 56.02 1mx9 n LEU 5063Cb 0.40 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1mx9 n LEU 5063CO -0.08 -0.32 0.96 -0.60 -1.33 0.00 0.00 177.39 176.03 1mx9 s ARG 5064N -2.73 4.40 -0.60 3.23 3.52 0.06 -2.82 118.95 124.01 1mx9 s ARG 5064Ca 0.03 1.93 -0.03 0.00 -0.13 0.00 0.00 55.73 57.54 1mx9 s ARG 5064Cb 0.03 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1mx9 s ARG 5064CO 0.07 -0.29 0.34 1.19 -0.81 0.00 0.00 175.30 175.79 1mx9 n PHE 5065N 3.51 -0.94 -4.04 5.12 3.72 -1.26 -4.98 117.46 118.59 1mx9 n PHE 5065Ca 0.09 0.29 -0.09 0.00 -0.05 0.00 0.00 57.45 57.68 1mx9 n PHE 5065Cb 0.44 -2.50 -0.09 0.00 -0.94 0.00 0.00 39.48 36.40 1mx9 n PHE 5065CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1mx9 s THR 5066N -2.92 0.10 0.49 4.37 -4.23 -1.13 -4.90 115.64 107.43 1mx9 s THR 5066Ca 0.17 -1.63 -0.21 0.00 -1.18 0.00 0.00 61.69 58.84 1mx9 s THR 5066Cb -0.07 -1.85 -0.09 0.00 1.34 0.00 0.00 72.50 71.82 1mx9 s THR 5066CO 0.21 -0.46 0.81 -2.65 -0.54 0.00 0.00 174.62 171.98 1mx9 n PRO 5067N -0.12 0.92 -2.26 3.99 -0.02 -1.26 -4.92 135.00 131.34 1mx9 n PRO 5067Ca -0.08 0.34 -0.37 0.00 -2.02 0.00 0.00 63.50 61.38 1mx9 n PRO 5067Cb 0.63 -1.90 -0.01 0.00 -0.02 0.00 0.00 33.50 32.21 1mx9 n PRO 5067CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mx9 s PRO 5068N -2.11 3.71 0.16 0.52 0.04 -1.26 -5.04 135.00 131.01 1mx9 s PRO 5068Ca 0.67 1.76 0.10 0.00 0.04 0.00 0.00 61.00 63.56 1mx9 s PRO 5068Cb -0.51 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1mx9 s PRO 5068CO 0.54 -0.59 -0.21 -0.65 0.04 0.00 0.00 177.00 176.13 1mx9 s GLN 5069N -2.77 1.34 0.38 4.56 -0.21 -1.26 -5.00 119.66 116.71 1mx9 s GLN 5069Ca 0.65 -1.40 -0.25 0.00 0.02 0.00 0.00 55.36 54.38 1mx9 s GLN 5069Cb -0.28 -1.56 -0.12 0.00 1.00 0.00 0.00 33.01 32.05 1mx9 s GLN 5069CO 0.34 0.34 0.99 -2.30 -2.12 0.00 0.00 175.29 172.53 1mx9 n PRO 5070N 0.48 1.33 -2.45 2.91 -0.02 -1.26 0.23 135.00 136.21 1mx9 n PRO 5070Ca -0.14 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 1mx9 n PRO 5070Cb 0.56 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 1mx9 n PRO 5070CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mx9 s ALA 5071N -1.23 3.12 -0.06 3.55 0.00 -1.26 -3.21 121.76 122.67 1mx9 s ALA 5071Ca 0.62 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 1mx9 s ALA 5071Cb -0.60 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1mx9 s ALA 5071CO 0.58 -0.22 1.10 -1.21 0.00 0.00 0.00 175.76 176.01 1mx9 s GLU 5072N -4.09 4.41 0.71 0.00 0.41 -1.26 -4.88 118.70 114.00 1mx9 s GLU 5072Ca 0.57 1.54 -0.16 0.00 -0.41 0.00 0.00 54.97 56.51 1mx9 s GLU 5072Cb -0.10 -3.52 0.01 0.00 -1.78 0.00 0.00 34.13 28.73 1mx9 s GLU 5072CO 0.32 -0.34 1.05 -0.35 -0.49 0.00 0.00 175.26 175.45 1mx9 n PRO 5073N 4.89 0.61 -4.17 0.39 -0.04 -1.26 -5.01 135.00 130.41 1mx9 n PRO 5073Ca 0.09 0.27 -0.24 0.00 -0.04 0.00 0.00 63.50 63.58 1mx9 n PRO 5073Cb 0.48 -2.29 -0.07 0.00 -0.04 0.00 0.00 33.50 31.57 1mx9 n PRO 5073CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1mx9 s TRP 5074N -1.75 2.63 -0.08 0.54 -2.14 -0.13 -5.05 118.94 112.96 1mx9 s TRP 5074Ca 0.75 -0.47 0.15 0.00 2.66 0.00 0.00 56.10 59.19 1mx9 s TRP 5074Cb -0.35 -1.72 -0.20 0.00 -3.10 0.00 0.00 33.47 28.10 1mx9 s TRP 5074CO 0.48 0.31 0.69 0.43 -2.66 0.00 0.00 176.95 176.20 1mx9 n SER 5075N -1.13 0.81 0.00 -2.66 7.64 -1.26 -4.63 113.62 112.38 1mx9 n SER 5075Ca -0.03 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1mx9 n SER 5075Cb 0.63 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1mx9 n SER 5075CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1mx9 n PHE 5076N -2.96 0.00 -4.01 1.43 3.01 -1.26 -5.00 117.46 108.67 1mx9 n PHE 5076Ca -0.15 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.00 1mx9 n PHE 5076Cb 0.97 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 40.29 1mx9 n PHE 5076CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1mx9 s VAL 5077N 2.07 1.99 -0.40 -4.37 1.01 -1.26 -3.59 120.40 115.85 1mx9 s VAL 5077Ca 0.00 -1.69 -0.28 0.00 0.00 0.00 0.00 61.98 60.01 1mx9 s VAL 5077Cb 0.00 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 1mx9 s VAL 5077CO 0.00 -0.20 1.57 -0.75 0.00 0.00 0.00 175.10 175.72 1mx9 s LYS 5078N 1.15 3.44 -0.51 2.72 2.20 0.24 -4.80 119.74 124.18 1mx9 s LYS 5078Ca -0.03 1.07 -0.28 0.00 -0.36 0.00 0.00 55.97 56.37 1mx9 s LYS 5078Cb -0.19 -4.11 0.03 0.00 -1.51 0.00 0.00 37.83 32.05 1mx9 s LYS 5078CO -0.07 -1.74 1.11 1.21 -0.36 0.00 0.00 175.35 175.51 1mx9 s ASN 5079N 4.88 6.53 -0.91 1.43 2.47 -1.26 -0.36 114.94 127.73 1mx9 s ASN 5079Ca 0.68 0.24 -0.00 0.00 0.42 0.00 0.00 52.86 54.20 1mx9 s ASN 5079Cb -0.17 -2.53 0.28 0.00 -1.45 0.00 0.00 41.25 37.39 1mx9 s ASN 5079CO 0.32 -1.29 1.16 0.00 -3.72 0.00 0.00 177.10 173.57 1mx9 n ALA 5080N 7.90 4.66 -2.55 1.71 0.00 0.68 -4.83 120.51 128.09 1mx9 n ALA 5080Ca 0.09 -4.78 -0.16 0.00 0.00 0.00 0.00 53.44 48.59 1mx9 n ALA 5080Cb 0.49 -1.77 0.02 0.00 0.00 0.00 0.00 19.45 18.19 1mx9 n ALA 5080CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mx9 n THR 5081N 1.24 1.69 -3.64 0.00 -2.24 -1.25 -1.41 114.28 108.66 1mx9 n THR 5081Ca 0.27 -3.84 -0.04 0.00 -2.27 0.00 0.00 64.05 58.17 1mx9 n THR 5081Cb 0.36 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 1mx9 n THR 5081CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mx9 s SER 5082N -3.41 -0.60 0.19 3.42 1.04 -1.26 -5.02 113.70 108.07 1mx9 s SER 5082Ca 0.37 0.98 -0.33 0.00 0.48 0.00 0.00 55.95 57.45 1mx9 s SER 5082Cb 0.41 1.21 -0.14 0.00 0.10 0.00 0.00 66.02 67.60 1mx9 s SER 5082CO -0.05 -0.16 1.37 -1.22 0.98 0.00 0.00 173.24 174.16 1mx9 n TYR 5083N 3.63 1.89 -1.43 5.02 4.01 -1.26 -4.25 117.16 124.76 1mx9 n TYR 5083Ca -0.18 0.49 -0.29 0.00 -0.16 0.00 0.00 57.90 57.76 1mx9 n TYR 5083Cb 0.58 -2.41 0.15 0.00 -0.31 0.00 0.00 39.34 37.35 1mx9 n TYR 5083CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1mx9 s PRO 5084N -0.09 0.80 1.02 -0.72 0.04 -1.26 -4.96 135.00 129.83 1mx9 s PRO 5084Ca 0.73 0.30 -0.15 0.00 0.04 0.00 0.00 61.00 61.92 1mx9 s PRO 5084Cb -0.74 -1.80 0.20 0.00 0.04 0.00 0.00 34.50 32.20 1mx9 s PRO 5084CO 0.48 -2.43 1.16 -2.14 0.04 0.00 0.00 177.00 174.11 1mx9 s PRO 5085N -5.23 0.26 -0.00 0.56 0.02 -1.26 -4.68 135.00 124.67 1mx9 s PRO 5085Ca 0.65 0.07 0.05 0.00 0.02 0.00 0.00 61.00 61.78 1mx9 s PRO 5085Cb -0.15 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1mx9 s PRO 5085CO 0.54 -2.75 -0.13 0.00 -0.33 0.00 0.00 177.00 174.34 1mx9 s MET 5086N -5.40 2.39 0.17 5.54 0.23 0.10 -4.84 119.30 117.49 1mx9 s MET 5086Ca 0.68 -0.79 -0.33 0.00 -1.03 0.00 0.00 55.69 54.22 1mx9 s MET 5086Cb -0.12 -2.36 -0.15 0.00 -1.53 0.00 0.00 34.83 30.67 1mx9 s MET 5086CO 0.54 0.59 1.29 0.00 -2.03 0.00 0.00 175.02 175.42 1mx9 n THR 5088N 1.94 0.20 -3.83 0.00 -2.24 -0.84 -4.67 114.28 104.83 1mx9 n THR 5088Ca 0.15 -0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.81 1mx9 n THR 5088Cb 0.26 -0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1mx9 n THR 5088CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mx9 s GLN 5089N -0.08 1.84 -0.19 -0.78 -2.07 -1.26 -4.70 119.66 112.42 1mx9 s GLN 5089Ca 0.88 -1.14 -0.29 0.00 -1.82 0.00 0.00 55.36 52.99 1mx9 s GLN 5089Cb -1.22 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 31.20 1mx9 s GLN 5089CO 0.56 -0.86 1.85 0.34 -1.32 0.00 0.00 175.29 175.87 1mx9 s ASP 5090N -3.10 6.09 0.18 12.60 2.15 -1.26 -4.88 116.67 128.46 1mx9 s ASP 5090Ca 0.16 1.82 -0.19 0.00 0.43 0.00 0.00 52.55 54.77 1mx9 s ASP 5090Cb -0.04 -2.53 0.13 0.00 -0.30 0.00 0.00 42.92 40.18 1mx9 s ASP 5090CO 0.08 -1.46 1.62 -0.65 -0.17 0.00 0.00 175.17 174.59 1mx9 h PRO 5091N 12.09 -0.13 0.37 4.34 0.11 -1.98 0.26 132.00 147.07 1mx9 h PRO 5091Ca -0.38 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 1mx9 h PRO 5091Cb 1.19 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1mx9 h PRO 5091CO 0.98 -0.08 -0.47 0.87 -0.21 0.00 0.00 178.00 179.09 1mx9 h LYS 5092N -0.13 -0.85 -0.73 1.05 1.79 -1.99 0.93 116.57 116.64 1mx9 h LYS 5092Ca 0.22 0.06 0.09 0.00 -2.18 0.00 0.00 60.65 58.84 1mx9 h LYS 5092Cb 0.48 0.19 -0.07 0.00 -1.58 0.00 0.00 32.23 31.25 1mx9 h LYS 5092CO -0.56 -0.56 0.37 0.00 -1.08 0.00 0.00 179.45 177.62 1mx9 h ALA 5093N -0.62 1.01 0.64 3.86 0.00 -1.89 -0.04 119.26 122.22 1mx9 h ALA 5093Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1mx9 h ALA 5093Cb 0.80 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1mx9 h ALA 5093CO -0.12 -0.03 -0.44 0.78 0.00 0.00 0.00 179.25 179.45 1mx9 h GLY 5094N 0.63 -1.16 1.13 0.00 0.00 -0.50 -2.12 103.07 101.05 1mx9 h GLY 5094Ca 0.36 0.49 0.02 0.00 0.00 0.00 0.00 47.33 48.20 1mx9 h GLY 5094CO -0.26 -0.39 0.56 -1.61 0.00 0.00 0.00 176.54 174.83 1mx9 h GLN 5095N -1.03 1.07 -0.64 4.80 4.15 -0.38 -0.28 115.11 122.81 1mx9 h GLN 5095Ca -0.08 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.22 1mx9 h GLN 5095Cb 0.85 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 1mx9 h GLN 5095CO 0.05 0.71 0.17 1.25 -1.93 0.00 0.00 178.83 179.08 1mx9 h LEU 5096N 1.11 0.96 -0.13 -2.39 5.85 -0.95 -1.52 115.31 118.24 1mx9 h LEU 5096Ca 0.32 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1mx9 h LEU 5096Cb -0.07 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.71 1mx9 h LEU 5096CO -0.08 0.93 -0.06 0.25 -0.34 0.00 0.00 178.44 179.14 1mx9 h LEU 5097N 0.93 0.27 -1.09 2.25 5.85 -0.82 -1.95 115.31 120.75 1mx9 h LEU 5097Ca 0.20 -0.42 0.12 0.00 0.84 0.00 0.00 57.88 58.63 1mx9 h LEU 5097Cb 0.34 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 1mx9 h LEU 5097CO -0.00 0.63 0.61 -1.28 -0.34 0.00 0.00 178.44 178.06 1mx9 h SER 5098N -0.08 0.85 -0.14 1.25 0.87 -0.98 0.27 113.55 115.59 1mx9 h SER 5098Ca 0.03 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1mx9 h SER 5098Cb 0.53 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1mx9 h SER 5098CO 0.02 0.45 0.09 -0.33 -0.53 0.00 0.00 176.83 176.53 1mx9 h GLU 5099N 0.91 0.19 -0.05 2.24 5.08 -1.01 0.34 114.58 122.28 1mx9 h GLU 5099Ca 0.48 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.68 1mx9 h GLU 5099Cb 0.54 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1mx9 h GLU 5099CO -0.24 0.17 -0.62 -0.07 -1.00 0.00 0.00 179.01 177.24 1mx9 h LEU 5100N 0.16 0.22 0.00 1.33 3.38 -0.49 -3.29 115.31 116.62 1mx9 h LEU 5100Ca 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1mx9 h LEU 5100Cb 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1mx9 h LEU 5100CO -0.01 0.78 -1.43 0.49 0.09 0.00 0.00 178.44 178.37 1mx9 n PHE 5101N -3.85 0.34 -1.68 1.13 3.72 -0.02 -4.98 117.46 112.12 1mx9 n PHE 5101Ca -0.02 0.10 -0.41 0.00 -0.05 0.00 0.00 57.45 57.07 1mx9 n PHE 5101Cb 0.63 -0.59 0.02 0.00 -0.94 0.00 0.00 39.48 38.60 1mx9 n PHE 5101CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1mx9 n THR 5102N -2.26 2.75 -0.00 4.37 5.66 0.12 -4.88 114.28 120.03 1mx9 n THR 5102Ca -0.01 -0.50 0.03 0.00 -3.05 0.00 0.00 64.05 60.52 1mx9 n THR 5102Cb 0.52 -1.46 0.08 0.00 -1.55 0.00 0.00 70.33 67.92 1mx9 n THR 5102CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1mx9 n ASN 5103N 0.07 2.31 -4.87 1.09 6.94 -1.25 -5.01 115.26 114.54 1mx9 n ASN 5103Ca 0.08 -1.81 -0.30 0.00 -0.02 0.00 0.00 54.58 52.53 1mx9 n ASN 5103Cb 0.41 -0.11 -0.02 0.00 -2.36 0.00 0.00 39.78 37.70 1mx9 n ASN 5103CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1mx9 s ARG 5104N -0.89 3.74 0.25 -3.83 0.52 -1.26 -4.38 118.95 113.10 1mx9 s ARG 5104Ca 0.13 0.63 -0.06 0.00 -0.52 0.00 0.00 55.73 55.91 1mx9 s ARG 5104Cb 0.07 -2.24 0.26 0.00 0.52 0.00 0.00 34.95 33.57 1mx9 s ARG 5104CO 0.09 -0.27 1.91 -0.22 0.02 0.00 0.00 175.30 176.84 1mx9 h LYS 5105N 0.58 1.29 -6.17 3.54 1.63 -1.96 -3.43 116.57 112.06 1mx9 h LYS 5105Ca -0.46 -0.10 -0.57 0.00 -0.85 0.00 0.00 60.65 58.67 1mx9 h LYS 5105Cb 1.19 -0.28 -0.24 0.00 -0.60 0.00 0.00 32.23 32.30 1mx9 h LYS 5105CO 0.62 0.88 -0.84 -2.00 -3.45 0.00 0.00 179.45 174.67 1mx9 s GLU 5106N -6.03 1.26 -0.25 1.90 2.56 -1.26 -5.00 118.70 111.88 1mx9 s GLU 5106Ca -0.13 -1.08 -0.19 0.00 0.00 0.00 0.00 54.97 53.58 1mx9 s GLU 5106Cb 0.18 -1.47 -0.02 0.00 2.00 0.00 0.00 34.13 34.82 1mx9 s GLU 5106CO 0.82 0.36 0.57 1.21 -0.56 0.00 0.00 175.26 177.66 1mx9 s ASN 5107N -1.59 6.52 -0.32 -1.70 3.04 -1.26 -5.00 114.94 114.63 1mx9 s ASN 5107Ca 0.07 0.63 -0.29 0.00 0.04 0.00 0.00 52.86 53.32 1mx9 s ASN 5107Cb -0.09 -2.31 0.01 0.00 -1.54 0.00 0.00 41.25 37.32 1mx9 s ASN 5107CO 0.03 -0.31 1.12 -0.63 -3.04 0.00 0.00 177.10 174.28 1mx9 s ILE 5108N 2.29 4.42 0.58 -5.21 1.01 -1.26 -5.02 121.20 118.01 1mx9 s ILE 5108Ca 0.24 1.63 -0.19 0.00 0.00 0.00 0.00 60.65 62.33 1mx9 s ILE 5108Cb -0.16 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 1mx9 s ILE 5108CO 0.09 -0.49 1.19 -2.16 0.00 0.00 0.00 174.94 173.56 1mx9 s PRO 5109N 3.77 3.07 0.38 2.79 0.04 -1.26 -5.00 135.00 138.79 1mx9 s PRO 5109Ca 0.48 1.76 0.04 0.00 0.04 0.00 0.00 61.00 63.31 1mx9 s PRO 5109Cb -0.13 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1mx9 s PRO 5109CO 0.17 -1.11 0.08 -0.51 0.04 0.00 0.00 177.00 175.67 1mx9 s LEU 5110N -4.02 2.10 -0.01 -3.56 1.43 -1.26 -5.12 118.68 108.24 1mx9 s LEU 5110Ca 0.76 -1.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1mx9 s LEU 5110Cb -0.28 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 1mx9 s LEU 5110CO 0.32 -0.77 -0.07 -0.54 0.23 0.00 0.00 176.35 175.51 1mx9 s LYS 5111N -3.81 2.57 0.20 1.70 3.01 -1.26 -4.97 119.74 117.17 1mx9 s LYS 5111Ca 0.29 -0.70 -0.14 0.00 -1.01 0.00 0.00 55.97 54.41 1mx9 s LYS 5111Cb 0.06 -2.50 -0.07 0.00 -1.01 0.00 0.00 37.83 34.30 1mx9 s LYS 5111CO 0.14 0.61 0.60 -0.51 0.51 0.00 0.00 175.35 176.70 1mx9 s LEU 5112N -1.28 4.27 -0.17 3.17 1.43 -1.26 0.01 118.68 124.85 1mx9 s LEU 5112Ca 0.16 1.13 -0.30 0.00 -1.03 0.00 0.00 54.13 54.08 1mx9 s LEU 5112Cb -0.11 -3.50 0.14 0.00 0.03 0.00 0.00 46.19 42.75 1mx9 s LEU 5112CO 0.06 0.02 1.07 -0.55 0.23 0.00 0.00 176.35 177.18 1mx9 s SER 5113N -1.90 -0.29 0.25 2.29 0.15 -0.75 -4.85 113.70 108.60 1mx9 s SER 5113Ca 0.43 0.26 0.13 0.00 0.70 0.00 0.00 55.95 57.46 1mx9 s SER 5113Cb -0.14 0.25 0.14 0.00 -1.71 0.00 0.00 66.02 64.56 1mx9 s SER 5113CO 0.20 -0.30 1.47 -0.33 1.20 0.00 0.00 173.24 175.48 1mx9 h GLU 5114N 2.37 0.00 -6.03 5.44 5.08 -1.94 -2.23 114.58 117.27 1mx9 h GLU 5114Ca -0.16 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.58 1mx9 h GLU 5114Cb 1.17 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.33 1mx9 h GLU 5114CO 0.29 0.65 1.72 0.34 -1.00 0.00 0.00 179.01 181.00 1mx9 s ASP 5115N -6.58 6.60 0.00 1.42 2.15 -1.26 -4.52 116.67 114.47 1mx9 s ASP 5115Ca 0.02 -1.76 0.00 0.00 0.43 0.00 0.00 52.55 51.24 1mx9 s ASP 5115Cb 0.10 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1mx9 s ASP 5115CO 0.76 -1.41 0.18 0.00 -0.17 0.00 0.00 175.17 174.53 1mx9 n LEU 5117N -0.01 5.41 -4.80 0.00 4.77 -1.26 -4.72 117.00 116.38 1mx9 n LEU 5117Ca 0.00 -3.35 -0.30 0.00 -0.03 0.00 0.00 56.01 52.32 1mx9 n LEU 5117Cb 0.28 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 1mx9 n LEU 5117CO 0.00 0.43 -0.16 -0.31 -1.33 0.00 0.00 177.39 176.03 1mx9 s TYR 5118N 3.97 1.89 -0.14 -1.77 1.51 -1.26 -2.71 117.35 118.83 1mx9 s TYR 5118Ca 0.52 -0.88 -0.25 0.00 -1.01 0.00 0.00 57.07 55.46 1mx9 s TYR 5118Cb 0.14 -1.74 0.06 0.00 -0.11 0.00 0.00 41.96 40.31 1mx9 s TYR 5118CO 0.02 0.02 0.62 -0.48 -1.11 0.00 0.00 175.55 174.62 1mx9 s LEU 5119N -3.99 -0.37 0.01 -1.29 0.05 -0.84 -2.14 118.68 110.11 1mx9 s LEU 5119Ca 0.19 0.93 -0.01 0.00 0.05 0.00 0.00 54.13 55.29 1mx9 s LEU 5119Cb 0.01 2.21 -0.04 0.00 -2.05 0.00 0.00 46.19 46.32 1mx9 s LEU 5119CO 0.11 -0.39 0.12 0.20 -0.55 0.00 0.00 176.35 175.84 1mx9 s ASN 5120N -0.42 5.91 -0.04 1.48 0.01 0.17 -2.40 114.94 119.64 1mx9 s ASN 5120Ca -0.06 0.19 0.05 0.00 -0.71 0.00 0.00 52.86 52.34 1mx9 s ASN 5120Cb -0.03 -1.74 -0.01 0.00 0.41 0.00 0.00 41.25 39.88 1mx9 s ASN 5120CO 0.05 0.25 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.06 1mx9 s ILE 5121N -1.28 1.62 -0.39 0.60 1.01 -0.05 -0.45 121.20 122.24 1mx9 s ILE 5121Ca 0.26 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1mx9 s ILE 5121Cb -0.12 -1.37 0.12 0.00 0.01 0.00 0.00 42.46 41.09 1mx9 s ILE 5121CO 0.17 0.46 0.16 -0.31 0.00 0.00 0.00 174.94 175.42 1mx9 s TYR 5122N -0.13 2.57 -0.24 3.97 1.51 -0.08 -1.44 117.35 123.51 1mx9 s TYR 5122Ca -0.01 -2.52 -0.06 0.00 -1.01 0.00 0.00 57.07 53.47 1mx9 s TYR 5122Cb -0.11 -2.27 -0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1mx9 s TYR 5122CO 0.02 -0.84 0.03 -0.08 -1.11 0.00 0.00 175.55 173.57 1mx9 s THR 5123N 0.71 3.96 -1.91 -0.71 -1.32 -0.75 -2.42 115.64 113.20 1mx9 s THR 5123Ca 0.14 -0.31 0.29 0.00 -1.21 0.00 0.00 61.69 60.59 1mx9 s THR 5123Cb -0.21 -2.85 0.50 0.00 -1.51 0.00 0.00 72.50 68.42 1mx9 s THR 5123CO -0.09 0.36 1.82 -0.81 -2.21 0.00 0.00 174.62 173.69 1mx9 n PRO 5124N 4.88 0.99 -0.84 7.08 -0.04 -1.26 -0.87 135.00 144.93 1mx9 n PRO 5124Ca -0.17 -0.43 -0.30 0.00 -0.04 0.00 0.00 63.50 62.57 1mx9 n PRO 5124Cb 0.51 -1.49 0.18 0.00 -0.04 0.00 0.00 33.50 32.66 1mx9 n PRO 5124CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mx9 s ALA 5125N -2.31 0.82 -1.01 0.55 0.00 -1.26 -4.90 121.76 113.66 1mx9 s ALA 5125Ca 0.33 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.27 1mx9 s ALA 5125Cb 0.20 -3.28 0.26 0.00 0.00 0.00 0.00 23.12 20.30 1mx9 s ALA 5125CO 0.44 -2.98 0.98 0.34 0.00 0.00 0.00 175.76 174.53 1mx9 s ASP 5126N -2.91 7.06 0.64 0.00 2.15 -1.26 -4.83 116.67 117.52 1mx9 s ASP 5126Ca 0.66 -3.31 0.00 0.00 0.43 0.00 0.00 52.55 50.34 1mx9 s ASP 5126Cb -0.22 -2.19 0.01 0.00 -0.30 0.00 0.00 42.92 40.22 1mx9 s ASP 5126CO 0.60 -0.37 0.99 -0.07 -0.17 0.00 0.00 175.17 176.14 1mx9 h LEU 5127N 7.00 0.00 -0.57 -1.34 3.38 -1.93 0.80 115.31 122.64 1mx9 h LEU 5127Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1mx9 h LEU 5127Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1mx9 h LEU 5127CO 0.92 0.00 -0.28 0.71 0.09 0.00 0.00 178.44 179.88 1mx9 h THR 5128N 0.00 0.55 -1.95 0.22 1.35 -2.00 -3.44 112.91 107.64 1mx9 h THR 5128Ca 0.00 -1.45 -0.55 0.00 -0.55 0.00 0.00 66.41 63.85 1mx9 h THR 5128Cb 1.96 2.02 -0.08 0.00 -1.73 0.00 0.00 68.15 70.32 1mx9 h THR 5128CO 0.00 0.27 -0.57 -0.54 -0.25 0.00 0.00 175.52 174.43 1mx9 s LYS 5129N -3.34 2.32 0.22 4.72 1.02 0.28 -5.10 119.74 119.85 1mx9 s LYS 5129Ca 0.03 -1.55 -0.30 0.00 0.02 0.00 0.00 55.97 54.17 1mx9 s LYS 5129Cb 0.08 -2.14 -0.08 0.00 -0.52 0.00 0.00 37.83 35.17 1mx9 s LYS 5129CO 0.67 0.17 1.02 0.21 -0.92 0.00 0.00 175.35 176.50 1mx9 s LYS 5130N -3.79 4.73 0.03 1.68 2.20 -1.26 -4.75 119.74 118.57 1mx9 s LYS 5130Ca 0.36 1.61 -0.01 0.00 -0.36 0.00 0.00 55.97 57.58 1mx9 s LYS 5130Cb -0.03 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1mx9 s LYS 5130CO 0.22 0.31 -0.02 -0.80 -0.36 0.00 0.00 175.35 174.69 1mx9 s ASN 5131N -0.72 0.30 -0.42 1.43 0.01 -1.26 -4.99 114.94 109.29 1mx9 s ASN 5131Ca 0.44 -0.62 0.07 0.00 -0.71 0.00 0.00 52.86 52.05 1mx9 s ASN 5131Cb -0.28 0.13 0.24 0.00 0.41 0.00 0.00 41.25 41.75 1mx9 s ASN 5131CO 0.35 -0.39 0.59 0.54 -1.51 0.00 0.00 177.10 176.68 1mx9 n ARG 5132N 1.19 0.68 -3.30 -0.60 5.12 -1.08 -4.03 116.66 114.63 1mx9 n ARG 5132Ca -0.21 -2.88 -0.31 0.00 -1.93 0.00 0.00 57.85 52.52 1mx9 n ARG 5132Cb 0.57 -1.31 -0.04 0.00 -1.16 0.00 0.00 32.46 30.51 1mx9 n ARG 5132CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1mx9 s LEU 5133N -0.93 4.08 0.50 0.55 1.43 0.23 -4.34 118.68 120.21 1mx9 s LEU 5133Ca 0.34 0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 54.12 1mx9 s LEU 5133Cb 0.17 -3.70 -0.06 0.00 0.03 0.00 0.00 46.19 42.62 1mx9 s LEU 5133CO -0.14 -0.16 1.34 -2.16 0.23 0.00 0.00 176.35 175.46 1mx9 s PRO 5134N -3.19 3.41 -0.19 1.29 0.04 -1.26 0.52 135.00 135.62 1mx9 s PRO 5134Ca 0.47 2.21 -0.04 0.00 0.04 0.00 0.00 61.00 63.68 1mx9 s PRO 5134Cb -0.11 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 1mx9 s PRO 5134CO 0.25 -0.97 -0.02 0.08 0.04 0.00 0.00 177.00 176.38 1mx9 s VAL 5135N -1.31 3.79 -0.28 -0.36 1.01 -0.74 0.02 120.40 122.53 1mx9 s VAL 5135Ca 0.67 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1mx9 s VAL 5135Cb -0.39 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.33 1mx9 s VAL 5135CO 0.48 0.45 -0.02 -0.04 0.00 0.00 0.00 175.10 175.97 1mx9 s MET 5136N 0.85 2.64 -0.22 2.72 -1.94 0.22 0.61 119.30 124.18 1mx9 s MET 5136Ca -0.00 -1.12 -0.15 0.00 -1.71 0.00 0.00 55.69 52.71 1mx9 s MET 5136Cb -0.14 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.55 1mx9 s MET 5136CO 0.02 -0.51 0.37 0.08 -0.01 0.00 0.00 175.02 174.96 1mx9 s VAL 5137N 1.30 5.21 -0.16 -6.03 1.01 0.13 0.15 120.40 122.01 1mx9 s VAL 5137Ca -0.02 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 1mx9 s VAL 5137Cb -0.18 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1mx9 s VAL 5137CO -0.02 0.24 0.10 0.86 0.00 0.00 0.00 175.10 176.27 1mx9 s TRP 5138N 1.48 3.40 -0.30 5.22 -0.11 0.12 -0.47 118.94 128.28 1mx9 s TRP 5138Ca 0.17 0.30 -0.00 0.00 1.22 0.00 0.00 56.10 57.79 1mx9 s TRP 5138Cb -0.15 -2.04 0.06 0.00 -1.50 0.00 0.00 33.47 29.84 1mx9 s TRP 5138CO 0.08 0.39 -0.01 0.42 -4.62 0.00 0.00 176.95 173.22 1mx9 s ILE 5139N -0.14 2.75 0.58 5.86 1.01 0.65 -2.66 121.20 129.26 1mx9 s ILE 5139Ca 0.09 -1.58 -0.20 0.00 0.00 0.00 0.00 60.65 58.96 1mx9 s ILE 5139Cb -0.12 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1mx9 s ILE 5139CO 0.01 -0.18 1.24 -1.38 0.00 0.00 0.00 174.94 174.63 1mx9 s HIS 5140N 1.18 2.37 0.22 3.97 -3.43 -1.26 -3.81 115.29 114.52 1mx9 s HIS 5140Ca -0.04 1.49 -0.01 0.00 -0.80 0.00 0.00 55.06 55.70 1mx9 s HIS 5140Cb -0.20 -3.55 0.05 0.00 -1.43 0.00 0.00 32.58 27.44 1mx9 s HIS 5140CO -0.03 -2.36 0.30 0.41 -2.00 0.00 0.00 174.74 171.06 1mx9 n GLY 5141N 0.59 0.22 0.00 -1.38 0.00 -1.23 -3.85 105.19 99.55 1mx9 n GLY 5141Ca 0.13 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1mx9 n GLY 5141CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx9 n GLY 5142N 2.83 -0.54 2.87 -0.02 0.00 -1.25 -4.42 105.19 104.66 1mx9 n GLY 5142Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1mx9 n GLY 5142CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx9 n GLY 5143N 0.00 0.37 3.01 -0.02 0.00 -1.26 -1.96 105.19 105.33 1mx9 n GLY 5143Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mx9 n GLY 5143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mx9 n LEU 5144N 0.00 0.15 -0.11 0.99 4.77 -1.26 -4.81 117.00 116.73 1mx9 n LEU 5144Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1mx9 n LEU 5144Cb 0.14 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 1mx9 n LEU 5144CO 0.00 -0.09 -1.22 0.23 -1.33 0.00 0.00 177.39 174.99 1mx9 n MET 5145N -2.06 0.67 -4.09 3.23 2.81 -0.98 -0.35 117.12 116.35 1mx9 n MET 5145Ca 0.00 0.06 -0.12 0.00 -1.81 0.00 0.00 57.70 55.83 1mx9 n MET 5145Cb 0.01 -1.53 -0.07 0.00 -0.71 0.00 0.00 33.22 30.93 1mx9 n MET 5145CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1mx9 s VAL 5146N -2.50 0.00 0.00 2.03 -7.23 -0.83 -4.12 120.40 107.75 1mx9 s VAL 5146Ca -0.19 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 1mx9 s VAL 5146Cb 0.07 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1mx9 s VAL 5146CO 0.74 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.14 1mx9 n GLY 5147N -0.40 3.26 3.57 2.32 0.00 -1.26 -3.80 105.19 108.88 1mx9 n GLY 5147Ca 0.01 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.01 1mx9 n GLY 5147CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 5148N -2.18 -1.78 0.16 4.61 0.00 -1.26 -4.66 121.76 116.65 1mx9 s ALA 5148Ca 0.00 1.62 -0.06 0.00 0.00 0.00 0.00 51.96 53.52 1mx9 s ALA 5148Cb 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1mx9 s ALA 5148CO 0.00 -0.36 1.42 0.00 0.00 0.00 0.00 175.76 176.83 1mx9 h ALA 5149N 3.83 0.55 -0.00 0.00 0.00 -1.93 -3.13 119.26 118.57 1mx9 h ALA 5149Ca -0.28 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1mx9 h ALA 5149Cb 1.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1mx9 h ALA 5149CO 0.25 0.71 0.15 0.77 0.00 0.00 0.00 179.25 181.13 1mx9 h SER 5150N 0.43 0.00 -0.01 0.00 0.02 -1.93 -1.72 113.55 110.34 1mx9 h SER 5150Ca -0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1mx9 h SER 5150Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1mx9 h SER 5150CO 0.13 0.00 0.01 0.74 -1.14 0.00 0.00 176.83 176.56 1mx9 h THR 5151N 0.00 1.00 -3.62 -2.27 2.02 -1.93 -3.39 112.91 104.72 1mx9 h THR 5151Ca 0.00 -0.01 -0.70 0.00 0.77 0.00 0.00 66.41 66.48 1mx9 h THR 5151Cb 0.30 0.98 -0.25 0.00 -1.74 0.00 0.00 68.15 67.45 1mx9 h THR 5151CO -0.00 0.00 -0.55 -0.31 0.37 0.00 0.00 175.52 175.03 1mx9 s TYR 5152N -5.08 3.22 -0.30 3.16 1.51 -0.65 -3.84 117.35 115.37 1mx9 s TYR 5152Ca -0.05 -0.99 -0.25 0.00 -1.01 0.00 0.00 57.07 54.77 1mx9 s TYR 5152Cb 0.17 -2.37 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 1mx9 s TYR 5152CO 0.67 -0.62 0.88 0.34 -1.11 0.00 0.00 175.55 175.72 1mx9 s ASP 5153N 1.53 6.78 -0.08 2.29 3.68 -1.26 -4.94 116.67 124.67 1mx9 s ASP 5153Ca 0.02 0.85 0.08 0.00 2.13 0.00 0.00 52.55 55.63 1mx9 s ASP 5153Cb -0.19 -2.45 0.39 0.00 -1.45 0.00 0.00 42.92 39.22 1mx9 s ASP 5153CO 0.05 -0.68 1.18 0.61 0.13 0.00 0.00 175.17 176.46 1mx9 n GLY 5154N 4.00 1.79 0.35 2.66 0.00 -1.26 -4.52 105.19 108.22 1mx9 n GLY 5154Ca 0.07 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1mx9 n GLY 5154CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mx9 h LEU 5155N 2.08 -0.91 -0.27 0.99 6.46 -1.92 -1.60 115.31 120.15 1mx9 h LEU 5155Ca 0.00 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1mx9 h LEU 5155Cb 1.02 0.29 -0.08 0.00 -0.73 0.00 0.00 40.66 41.16 1mx9 h LEU 5155CO 0.17 -0.48 -0.33 0.00 -0.62 0.00 0.00 178.44 177.19 1mx9 h ALA 5156N -1.27 -0.28 0.22 1.25 0.00 -1.81 -1.04 119.26 116.32 1mx9 h ALA 5156Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1mx9 h ALA 5156Cb 0.62 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1mx9 h ALA 5156CO 0.00 -0.76 -0.11 1.25 0.00 0.00 0.00 179.25 179.63 1mx9 h LEU 5157N -0.32 -0.25 -1.00 0.00 5.85 -1.75 0.35 115.31 118.18 1mx9 h LEU 5157Ca 0.13 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.94 1mx9 h LEU 5157Cb 0.54 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 1mx9 h LEU 5157CO -0.45 -0.13 0.63 0.00 -0.34 0.00 0.00 178.44 178.15 1mx9 h ALA 5158N 0.42 1.51 0.00 1.25 0.00 -1.14 -1.57 119.26 119.73 1mx9 h ALA 5158Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mx9 h ALA 5158Cb 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1mx9 h ALA 5158CO 0.05 0.24 -0.00 0.00 0.00 0.00 0.00 179.25 179.54 1mx9 h ALA 5159N 1.53 -0.00 -0.41 0.00 0.00 -0.98 -1.17 119.26 118.23 1mx9 h ALA 5159Ca 0.49 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1mx9 h ALA 5159Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1mx9 h ALA 5159CO -0.26 -0.01 0.22 0.45 0.00 0.00 0.00 179.25 179.65 1mx9 h HIS 5160N -0.99 0.40 -0.02 0.00 -0.00 -0.23 -2.97 115.15 111.35 1mx9 h HIS 5160Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1mx9 h HIS 5160Cb 0.88 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.17 1mx9 h HIS 5160CO 0.25 0.22 -0.38 0.39 -0.00 0.00 0.00 177.93 178.40 1mx9 n GLU 5161N -4.90 1.44 -3.64 2.45 -0.58 -0.60 -5.00 120.64 109.81 1mx9 n GLU 5161Ca 0.02 -1.17 -0.24 0.00 -0.42 0.00 0.00 57.16 55.34 1mx9 n GLU 5161Cb 0.09 -1.47 0.04 0.00 -0.57 0.00 0.00 31.44 29.53 1mx9 n GLU 5161CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mx9 n ASN 5162N 0.24 -3.43 -4.48 1.62 2.85 -0.47 -5.02 115.26 106.58 1mx9 n ASN 5162Ca 0.10 -0.88 -0.23 0.00 -0.11 0.00 0.00 54.58 53.46 1mx9 n ASN 5162Cb 0.49 -3.94 -0.11 0.00 1.24 0.00 0.00 39.78 37.47 1mx9 n ASN 5162CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1mx9 s VAL 5163N -3.57 1.58 -0.31 3.44 -7.23 -1.01 -4.71 120.40 108.58 1mx9 s VAL 5163Ca 0.24 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.23 1mx9 s VAL 5163Cb -0.07 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1mx9 s VAL 5163CO 0.82 -0.14 0.23 -0.69 -0.31 0.00 0.00 175.10 175.01 1mx9 s VAL 5164N -3.04 5.29 -0.15 1.32 1.01 0.10 -4.32 120.40 120.61 1mx9 s VAL 5164Ca 0.33 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 1mx9 s VAL 5164Cb 0.07 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1mx9 s VAL 5164CO 0.14 0.12 0.35 -0.69 0.00 0.00 0.00 175.10 175.02 1mx9 s VAL 5165N 1.77 5.27 -0.12 2.92 1.01 -1.02 0.72 120.40 130.95 1mx9 s VAL 5165Ca 0.07 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.75 1mx9 s VAL 5165Cb -0.17 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1mx9 s VAL 5165CO 0.11 0.37 -0.20 -0.69 0.00 0.00 0.00 175.10 174.69 1mx9 s VAL 5166N 0.53 1.82 -0.21 2.92 1.01 0.12 -0.91 120.40 125.69 1mx9 s VAL 5166Ca 0.19 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1mx9 s VAL 5166Cb -0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1mx9 s VAL 5166CO 0.06 0.50 0.01 0.42 0.00 0.00 0.00 175.10 176.09 1mx9 s THR 5167N 0.77 3.98 0.28 3.92 -4.23 0.40 0.15 115.64 120.91 1mx9 s THR 5167Ca -0.10 -0.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.21 1mx9 s THR 5167Cb -0.16 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 1mx9 s THR 5167CO 0.01 0.41 0.03 0.27 -0.54 0.00 0.00 174.62 174.80 1mx9 s ILE 5168N 1.14 3.40 0.24 2.99 -4.36 -1.09 0.42 121.20 123.95 1mx9 s ILE 5168Ca 0.03 -1.86 0.10 0.00 -0.26 0.00 0.00 60.65 58.67 1mx9 s ILE 5168Cb -0.14 -2.89 -0.05 0.00 1.25 0.00 0.00 42.46 40.62 1mx9 s ILE 5168CO 0.02 -0.34 -0.18 -1.10 0.24 0.00 0.00 174.94 173.58 1mx9 s GLN 5169N -3.71 1.53 0.08 0.37 -0.21 -0.91 -4.40 119.66 112.41 1mx9 s GLN 5169Ca 0.33 -1.68 -0.17 0.00 0.02 0.00 0.00 55.36 53.85 1mx9 s GLN 5169Cb -0.06 -1.51 0.04 0.00 1.00 0.00 0.00 33.01 32.48 1mx9 s GLN 5169CO 0.21 0.28 0.41 1.52 -2.12 0.00 0.00 175.29 175.58 1mx9 s TYR 5170N -2.64 -0.25 0.64 0.91 1.13 -1.26 -4.68 117.35 111.21 1mx9 s TYR 5170Ca 0.26 0.09 -0.18 0.00 -1.41 0.00 0.00 57.07 55.84 1mx9 s TYR 5170Cb -0.04 0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 41.03 1mx9 s TYR 5170CO 0.11 -0.63 1.02 0.54 -2.51 0.00 0.00 175.55 174.08 1mx9 n ARG 5171N 0.19 0.84 -4.34 -3.49 1.74 -1.26 -4.82 116.66 105.52 1mx9 n ARG 5171Ca -0.17 0.34 -0.18 0.00 -0.77 0.00 0.00 57.85 57.06 1mx9 n ARG 5171Cb 0.61 -2.24 -0.10 0.00 -1.02 0.00 0.00 32.46 29.71 1mx9 n ARG 5171CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mx9 s LEU 5172N -2.67 2.37 0.00 0.55 1.43 -1.26 -4.41 118.68 114.69 1mx9 s LEU 5172Ca 0.77 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1mx9 s LEU 5172Cb -0.39 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.40 1mx9 s LEU 5172CO 0.46 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1mx9 n GLY 5173N -0.41 2.35 0.24 -3.19 0.00 0.52 -2.37 105.19 102.33 1mx9 n GLY 5173Ca -0.06 -0.38 0.02 0.00 0.00 0.00 0.00 46.02 45.59 1mx9 n GLY 5173CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mx9 h ILE 5174N 0.00 0.67 -0.97 -0.61 2.04 -1.91 -0.59 117.51 116.15 1mx9 h ILE 5174Ca 0.00 -0.12 0.13 0.00 1.00 0.00 0.00 64.86 65.87 1mx9 h ILE 5174Cb 0.00 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 1mx9 h ILE 5174CO 0.00 0.06 0.61 -0.50 0.00 0.00 0.00 178.15 178.32 1mx9 h TRP 5175N 0.34 1.04 0.00 1.37 6.55 -1.85 -2.34 115.95 121.06 1mx9 h TRP 5175Ca 0.34 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.21 1mx9 h TRP 5175Cb 0.48 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 1mx9 h TRP 5175CO -0.21 0.40 -0.74 0.41 -1.05 0.00 0.00 178.44 177.26 1mx9 n GLY 5176N -1.37 -0.47 0.09 1.49 0.00 -0.81 -4.49 105.19 99.63 1mx9 n GLY 5176Ca 0.18 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.77 1mx9 n GLY 5176CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mx9 n PHE 5177N -1.37 0.00 -2.36 1.61 3.72 -0.30 0.16 117.46 118.92 1mx9 n PHE 5177Ca 0.03 -0.18 -0.41 0.00 -0.05 0.00 0.00 57.45 56.84 1mx9 n PHE 5177Cb 0.24 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1mx9 n PHE 5177CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1mx9 s PHE 5178N -0.42 3.41 0.04 1.38 2.19 -0.89 -4.50 117.98 119.19 1mx9 s PHE 5178Ca 0.02 1.40 -0.16 0.00 0.33 0.00 0.00 56.93 58.52 1mx9 s PHE 5178Cb 0.02 -3.44 0.03 0.00 -1.31 0.00 0.00 43.02 38.32 1mx9 s PHE 5178CO 0.00 -1.26 0.37 -1.54 1.83 0.00 0.00 175.22 174.62 1mx9 s SER 5179N 0.19 -0.22 0.00 6.13 1.04 -1.26 -3.95 113.70 115.63 1mx9 s SER 5179Ca 0.53 -0.05 0.10 0.00 0.48 0.00 0.00 55.95 57.02 1mx9 s SER 5179Cb -0.33 0.39 0.19 0.00 0.10 0.00 0.00 66.02 66.38 1mx9 s SER 5179CO 0.36 -0.62 1.06 0.35 0.98 0.00 0.00 173.24 175.37 1mx9 n THR 5180N 0.62 0.57 -1.79 2.02 -2.24 -0.74 -4.51 114.28 108.21 1mx9 n THR 5180Ca -0.19 -0.78 -0.06 0.00 -2.27 0.00 0.00 64.05 60.75 1mx9 n THR 5180Cb 0.59 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.62 1mx9 n THR 5180CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx9 n GLY 5181N 0.49 0.36 3.83 3.38 0.00 -1.26 -4.51 105.19 107.49 1mx9 n GLY 5181Ca 0.09 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 1mx9 n GLY 5181CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1mx9 s ASP 5182N -2.81 -0.08 0.42 1.61 3.84 -1.26 -5.05 116.67 113.34 1mx9 s ASP 5182Ca 0.00 -0.83 0.26 0.00 -0.00 0.00 0.00 52.55 51.99 1mx9 s ASP 5182Cb 0.00 0.70 1.34 0.00 -1.38 0.00 0.00 42.92 43.58 1mx9 s ASP 5182CO 0.00 -1.36 1.66 1.05 -0.00 0.00 0.00 175.17 176.51 1mx9 h GLU 5183N 2.00 0.16 0.00 2.11 9.09 -1.95 -1.90 114.58 124.09 1mx9 h GLU 5183Ca -0.27 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.13 1mx9 h GLU 5183Cb 1.24 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1mx9 h GLU 5183CO 0.34 0.10 0.00 0.45 0.05 0.00 0.00 179.01 179.95 1mx9 h HIS 5184N 0.16 0.00 -0.13 2.06 3.86 -1.97 -3.36 115.15 115.77 1mx9 h HIS 5184Ca 0.77 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.94 1mx9 h HIS 5184Cb 2.28 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 30.61 1mx9 h HIS 5184CO -0.01 0.00 -0.12 0.45 0.86 0.00 0.00 177.93 179.11 1mx9 n SER 5185N -2.52 -1.53 -0.25 2.45 2.88 -0.74 -4.95 113.62 108.97 1mx9 n SER 5185Ca -0.01 -1.47 0.06 0.00 -1.33 0.00 0.00 58.87 56.11 1mx9 n SER 5185Cb 0.10 0.81 0.18 0.00 -0.75 0.00 0.00 64.21 64.56 1mx9 n SER 5185CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1mx9 h ARG 5186N 3.78 0.29 0.00 -1.46 3.08 -1.65 -1.97 114.38 116.45 1mx9 h ARG 5186Ca -0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1mx9 h ARG 5186Cb 1.18 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1mx9 h ARG 5186CO -0.12 0.19 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 1mx9 n GLY 5187N -1.35 -2.80 2.52 0.04 0.00 -1.25 -4.56 105.19 97.78 1mx9 n GLY 5187Ca 0.14 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 1mx9 n GLY 5187CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mx9 n ASN 5188N 0.00 -4.34 0.06 1.61 3.02 -1.25 -4.91 115.26 109.45 1mx9 n ASN 5188Ca 0.00 -0.18 0.01 0.00 -0.03 0.00 0.00 54.58 54.38 1mx9 n ASN 5188Cb 0.00 -3.21 0.34 0.00 -0.61 0.00 0.00 39.78 36.30 1mx9 n ASN 5188CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1mx9 h TRP 5189N -0.87 0.39 -0.22 3.10 -0.00 -0.61 -2.73 115.95 115.01 1mx9 h TRP 5189Ca -0.32 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.89 58.50 1mx9 h TRP 5189Cb 1.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 30.26 1mx9 h TRP 5189CO 0.32 0.46 0.05 0.78 -0.00 0.00 0.00 178.44 180.05 1mx9 h GLY 5190N 0.80 0.38 1.87 1.49 0.00 -1.44 -1.18 103.07 104.99 1mx9 h GLY 5190Ca 0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1mx9 h GLY 5190CO 0.02 0.22 -0.19 0.45 0.00 0.00 0.00 176.54 177.04 1mx9 h HIS 5191N 0.17 0.17 -0.19 5.60 3.86 -1.81 0.48 115.15 123.43 1mx9 h HIS 5191Ca 0.07 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 1mx9 h HIS 5191Cb 0.27 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1mx9 h HIS 5191CO 0.01 0.35 -0.42 -0.07 0.86 0.00 0.00 177.93 178.65 1mx9 h LEU 5192N 0.15 0.49 -0.43 2.43 3.38 -1.23 0.16 115.31 120.26 1mx9 h LEU 5192Ca 0.03 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1mx9 h LEU 5192Cb 0.42 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1mx9 h LEU 5192CO 0.03 0.85 0.01 0.44 0.09 0.00 0.00 178.44 179.86 1mx9 h ASP 5193N 0.38 0.74 -0.12 -0.43 3.32 0.12 0.77 116.42 121.19 1mx9 h ASP 5193Ca 0.03 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 1mx9 h ASP 5193Cb 0.90 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1mx9 h ASP 5193CO 0.08 0.86 0.06 1.56 -1.72 0.00 0.00 179.24 180.07 1mx9 h GLN 5194N 0.60 0.17 -0.21 3.56 4.20 -0.47 -0.40 115.11 122.56 1mx9 h GLN 5194Ca 0.12 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1mx9 h GLN 5194Cb 0.47 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1mx9 h GLN 5194CO 0.02 0.22 0.11 0.28 -0.67 0.00 0.00 178.83 178.78 1mx9 h VAL 5195N 0.08 1.07 -0.38 -0.54 2.07 -0.55 -0.72 116.25 117.27 1mx9 h VAL 5195Ca 0.04 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 1mx9 h VAL 5195Cb 0.10 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1mx9 h VAL 5195CO -0.01 0.08 -0.11 0.00 0.02 0.00 0.00 177.57 177.55 1mx9 h ALA 5196N 1.83 1.08 -0.35 1.67 0.00 0.07 -1.63 119.26 121.93 1mx9 h ALA 5196Ca 0.08 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1mx9 h ALA 5196Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1mx9 h ALA 5196CO -0.01 0.57 -0.36 0.00 0.00 0.00 0.00 179.25 179.44 1mx9 h ALA 5197N 1.26 0.70 -0.00 0.00 0.00 0.34 -2.08 119.26 119.47 1mx9 h ALA 5197Ca 0.11 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1mx9 h ALA 5197Cb 0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1mx9 h ALA 5197CO 0.03 0.66 -0.28 -0.07 0.00 0.00 0.00 179.25 179.60 1mx9 h LEU 5198N 0.67 0.01 -0.30 0.00 3.38 -0.92 -0.54 115.31 117.62 1mx9 h LEU 5198Ca 0.06 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1mx9 h LEU 5198Cb 0.92 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1mx9 h LEU 5198CO 0.08 0.28 -0.58 -0.09 0.09 0.00 0.00 178.44 178.22 1mx9 h ARG 5199N 0.01 0.84 -0.08 1.13 9.65 -1.00 -2.11 114.38 122.82 1mx9 h ARG 5199Ca -0.00 -0.55 -0.00 0.00 -1.10 0.00 0.00 59.98 58.32 1mx9 h ARG 5199Cb 0.49 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1mx9 h ARG 5199CO 0.04 1.18 0.05 2.35 2.80 0.00 0.00 179.97 186.39 1mx9 h TRP 5200N 0.63 0.11 -0.09 2.20 7.01 -0.68 -1.71 115.95 123.42 1mx9 h TRP 5200Ca 0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1mx9 h TRP 5200Cb 1.19 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 28.21 1mx9 h TRP 5200CO 0.07 0.12 0.09 0.28 -2.79 0.00 0.00 178.44 176.21 1mx9 h VAL 5201N 0.06 0.68 -0.09 2.65 2.07 -1.07 0.34 116.25 120.90 1mx9 h VAL 5201Ca 0.03 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.38 1mx9 h VAL 5201Cb 0.05 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1mx9 h VAL 5201CO -0.01 0.00 -0.67 1.56 0.02 0.00 0.00 177.57 178.48 1mx9 h GLN 5202N 0.00 0.36 -0.55 1.57 1.08 -0.60 -3.03 115.11 113.94 1mx9 h GLN 5202Ca 0.04 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1mx9 h GLN 5202Cb 0.21 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1mx9 h GLN 5202CO -0.00 0.90 0.00 -0.25 -0.95 0.00 0.00 178.83 178.53 1mx9 n ASP 5203N -3.86 3.66 0.00 1.46 8.00 -0.22 -4.72 116.55 120.87 1mx9 n ASP 5203Ca -0.03 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1mx9 n ASP 5203Cb 0.67 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1mx9 n ASP 5203CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mx9 n ASN 5204N 1.51 0.43 0.13 -2.24 3.02 -0.06 -4.67 115.26 113.38 1mx9 n ASN 5204Ca 0.21 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.94 1mx9 n ASN 5204Cb 0.60 0.00 0.64 0.00 -0.61 0.00 0.00 39.78 40.41 1mx9 n ASN 5204CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1mx9 h ILE 5205N 0.00 0.16 -0.75 2.41 6.09 -1.72 0.23 117.51 123.93 1mx9 h ILE 5205Ca 0.00 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.57 1mx9 h ILE 5205Cb 0.11 0.47 -0.06 0.00 0.47 0.00 0.00 36.82 37.80 1mx9 h ILE 5205CO 0.00 0.00 0.42 0.00 -3.07 0.00 0.00 178.15 175.50 1mx9 h ALA 5206N 1.12 1.03 0.00 0.18 0.00 -1.81 0.22 119.26 120.01 1mx9 h ALA 5206Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1mx9 h ALA 5206Cb 1.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1mx9 h ALA 5206CO -0.00 0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.75 1mx9 n SER 5207N -4.77 0.00 -0.49 0.00 7.64 0.82 -1.94 113.62 114.88 1mx9 n SER 5207Ca 0.11 -0.30 0.07 0.00 1.01 0.00 0.00 58.87 59.76 1mx9 n SER 5207Cb 0.23 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.57 1mx9 n SER 5207CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1mx9 n PHE 5208N -0.98 0.00 -1.00 1.43 3.01 0.71 -4.82 117.46 115.80 1mx9 n PHE 5208Ca 0.07 -1.09 -0.00 0.00 1.01 0.00 0.00 57.45 57.44 1mx9 n PHE 5208Cb 0.03 -0.19 -0.00 0.00 -0.01 0.00 0.00 39.48 39.31 1mx9 n PHE 5208CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 5209N -0.98 0.40 3.78 1.37 0.00 -0.82 -4.69 105.19 104.25 1mx9 n GLY 5209Ca 0.15 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1mx9 n GLY 5209CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mx9 s GLY 5210N -2.02 2.01 -0.41 -0.02 0.00 -0.83 0.75 107.32 106.81 1mx9 s GLY 5210Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 44.72 43.61 1mx9 s GLY 5210CO 0.00 -0.78 0.70 0.21 0.00 0.00 0.00 173.10 173.23 1mx9 s ASN 5211N -1.82 6.41 0.00 1.64 2.47 0.19 -3.32 114.94 120.50 1mx9 s ASN 5211Ca 0.24 -0.05 0.14 0.00 0.42 0.00 0.00 52.86 53.61 1mx9 s ASN 5211Cb -0.12 -2.35 0.85 0.00 -1.45 0.00 0.00 41.25 38.18 1mx9 s ASN 5211CO 0.15 -0.76 1.30 -0.81 -3.72 0.00 0.00 177.10 173.26 1mx9 n PRO 5212N 6.36 0.60 -0.10 0.43 -0.04 -1.26 -1.74 135.00 139.25 1mx9 n PRO 5212Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1mx9 n PRO 5212Cb 0.48 -1.37 0.14 0.00 -0.04 0.00 0.00 33.50 32.71 1mx9 n PRO 5212CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mx9 n GLY 5213N 0.18 1.22 2.47 0.55 0.00 -1.26 -4.59 105.19 103.76 1mx9 n GLY 5213Ca 0.11 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 1mx9 n GLY 5213CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mx9 n SER 5214N 1.18 -1.38 -4.59 1.61 2.88 -0.71 -4.93 113.62 107.69 1mx9 n SER 5214Ca 0.15 -2.88 -0.35 0.00 -1.33 0.00 0.00 58.87 54.45 1mx9 n SER 5214Cb 0.52 0.49 -0.10 0.00 -0.75 0.00 0.00 64.21 64.36 1mx9 n SER 5214CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1mx9 s VAL 5215N -0.14 4.62 -0.10 2.46 1.01 -1.26 -1.80 120.40 125.20 1mx9 s VAL 5215Ca 0.33 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1mx9 s VAL 5215Cb 0.15 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1mx9 s VAL 5215CO -0.16 0.44 -0.20 -0.89 0.00 0.00 0.00 175.10 174.28 1mx9 s THR 5216N 0.58 2.41 -0.12 3.92 2.01 0.20 -0.78 115.64 123.86 1mx9 s THR 5216Ca 0.03 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 1mx9 s THR 5216Cb -0.13 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1mx9 s THR 5216CO 0.01 0.55 0.03 0.27 -0.69 0.00 0.00 174.62 174.80 1mx9 s ILE 5217N 0.16 4.55 -0.00 1.82 -4.36 -0.47 0.22 121.20 123.13 1mx9 s ILE 5217Ca -0.11 -0.14 -0.15 0.00 -0.26 0.00 0.00 60.65 59.99 1mx9 s ILE 5217Cb -0.16 -2.97 0.02 0.00 1.25 0.00 0.00 42.46 40.60 1mx9 s ILE 5217CO 0.06 0.56 0.31 0.72 0.24 0.00 0.00 174.94 176.83 1mx9 s PHE 5218N -0.46 -0.16 0.06 1.37 -0.71 0.38 -1.59 117.98 116.86 1mx9 s PHE 5218Ca 0.09 0.20 -0.27 0.00 -1.04 0.00 0.00 56.93 55.91 1mx9 s PHE 5218Cb -0.12 0.10 0.09 0.00 -1.21 0.00 0.00 43.02 41.88 1mx9 s PHE 5218CO 0.02 -0.42 0.96 0.20 -1.34 0.00 0.00 175.22 174.65 1mx9 s GLY 5219N -1.49 -0.35 0.19 1.99 0.00 -1.13 -0.25 107.32 106.28 1mx9 s GLY 5219Ca -0.12 0.62 0.09 0.00 0.00 0.00 0.00 44.72 45.32 1mx9 s GLY 5219CO 0.03 0.18 -0.18 -1.83 0.00 0.00 0.00 173.10 171.30 1mx9 s GLU 5220N -3.11 1.37 7.90 2.90 4.04 -1.25 -1.50 118.70 129.04 1mx9 s GLU 5220Ca 0.09 -1.51 0.00 0.00 0.04 0.00 0.00 54.97 53.59 1mx9 s GLU 5220Cb -0.01 -1.40 0.00 0.00 0.02 0.00 0.00 34.13 32.74 1mx9 s GLU 5220CO -0.03 0.27 0.00 0.45 -1.84 0.00 0.00 175.26 174.11 1mx9 n SER 5221N 0.01 0.00 0.23 0.83 2.88 0.33 -1.18 113.62 116.71 1mx9 n SER 5221Ca -0.11 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.57 1mx9 n SER 5221Cb 0.58 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.82 1mx9 n SER 5221CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mx9 h ALA 5222N -0.94 1.86 -0.34 -1.46 0.00 -1.88 0.55 119.26 117.06 1mx9 h ALA 5222Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1mx9 h ALA 5222Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mx9 h ALA 5222CO 0.00 -0.14 -0.46 0.78 0.00 0.00 0.00 179.25 179.43 1mx9 h GLY 5223N 0.00 0.99 1.92 0.00 0.00 -1.26 -0.87 103.07 103.85 1mx9 h GLY 5223Ca 0.05 -1.07 -0.07 0.00 0.00 0.00 0.00 47.33 46.23 1mx9 h GLY 5223CO -0.00 0.97 -0.32 -1.33 0.00 0.00 0.00 176.54 175.86 1mx9 h GLY 5224N 0.75 0.10 1.36 4.60 0.00 -0.78 -0.23 103.07 108.86 1mx9 h GLY 5224Ca 0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 47.33 47.10 1mx9 h GLY 5224CO 0.11 0.07 -0.67 -2.09 0.00 0.00 0.00 176.54 173.95 1mx9 h GLU 5225N 0.08 0.65 -0.16 4.80 4.22 -0.94 -1.35 114.58 121.87 1mx9 h GLU 5225Ca 0.01 -0.48 -0.02 0.00 0.08 0.00 0.00 59.36 58.95 1mx9 h GLU 5225Cb 0.61 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1mx9 h GLU 5225CO 0.04 1.10 0.02 0.77 -2.18 0.00 0.00 179.01 178.76 1mx9 h SER 5226N 0.47 0.27 -0.82 1.04 0.02 -0.69 0.26 113.55 114.09 1mx9 h SER 5226Ca -0.02 -0.28 0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1mx9 h SER 5226Cb 1.27 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 1mx9 h SER 5226CO 0.13 0.48 0.51 0.58 -1.14 0.00 0.00 176.83 177.39 1mx9 h VAL 5227N 0.05 1.06 -0.14 2.27 2.07 -1.05 0.44 116.25 120.96 1mx9 h VAL 5227Ca 0.05 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1mx9 h VAL 5227Cb 0.33 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1mx9 h VAL 5227CO 0.00 0.17 -0.02 -1.28 0.02 0.00 0.00 177.57 176.47 1mx9 h SER 5228N 0.96 0.17 0.14 0.57 0.87 -0.61 -1.10 113.55 114.56 1mx9 h SER 5228Ca 0.35 -0.02 -0.27 0.00 -1.23 0.00 0.00 61.79 60.62 1mx9 h SER 5228Cb 0.12 -0.04 0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1mx9 h SER 5228CO -0.15 0.23 -1.14 0.58 -0.53 0.00 0.00 176.83 175.82 1mx9 h VAL 5229N 0.19 1.35 -0.61 2.23 2.07 0.28 -3.19 116.25 118.56 1mx9 h VAL 5229Ca 0.05 -2.48 -0.01 0.00 0.82 0.00 0.00 66.70 65.08 1mx9 h VAL 5229Cb 0.17 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1mx9 h VAL 5229CO 0.00 0.74 0.36 -0.07 0.02 0.00 0.00 177.57 178.62 1mx9 h LEU 5230N 0.07 0.74 -1.46 2.57 3.38 0.09 -1.23 115.31 119.47 1mx9 h LEU 5230Ca -0.18 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1mx9 h LEU 5230Cb 1.85 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.38 1mx9 h LEU 5230CO 0.22 0.58 0.40 0.58 0.09 0.00 0.00 178.44 180.31 1mx9 h VAL 5231N 0.85 1.07 -0.01 1.22 2.07 -1.24 -2.49 116.25 117.71 1mx9 h VAL 5231Ca 0.22 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1mx9 h VAL 5231Cb -0.01 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1mx9 h VAL 5231CO -0.04 0.13 -0.38 0.18 0.02 0.00 0.00 177.57 177.48 1mx9 n LEU 5232N -4.47 1.21 -4.67 2.57 4.77 -0.54 -4.95 117.00 110.92 1mx9 n LEU 5232Ca 0.08 -0.37 -0.35 0.00 -0.03 0.00 0.00 56.01 55.34 1mx9 n LEU 5232Cb 0.15 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1mx9 n LEU 5232CO 0.35 0.23 -0.22 -0.55 -1.33 0.00 0.00 177.39 175.87 1mx9 s SER 5233N -2.58 5.86 0.64 -1.43 0.15 -0.77 -4.95 113.70 110.62 1mx9 s SER 5233Ca 0.20 0.14 0.37 0.00 0.70 0.00 0.00 55.95 57.37 1mx9 s SER 5233Cb 0.19 -2.01 2.06 0.00 -1.71 0.00 0.00 66.02 64.55 1mx9 s SER 5233CO 0.57 0.18 2.23 1.55 1.20 0.00 0.00 173.24 178.97 1mx9 h PRO 5234N 6.66 0.00 0.00 5.44 0.13 -1.87 -1.69 132.00 140.66 1mx9 h PRO 5234Ca -0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1mx9 h PRO 5234Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1mx9 h PRO 5234CO 0.73 0.00 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.42 1mx9 h LEU 5235N 0.00 0.00 -0.83 1.56 3.38 -1.83 -2.92 115.31 114.67 1mx9 h LEU 5235Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1mx9 h LEU 5235Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1mx9 h LEU 5235CO -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 178.44 178.18 1mx9 n ALA 5236N -2.09 3.21 0.00 1.53 0.00 -0.64 -4.83 120.51 117.69 1mx9 n ALA 5236Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1mx9 n ALA 5236Cb 0.25 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1mx9 n ALA 5236CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mx9 n LYS 5237N -0.20 0.00 -1.88 0.00 4.76 -1.11 0.04 118.16 119.77 1mx9 n LYS 5237Ca 0.06 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.37 1mx9 n LYS 5237Cb 0.33 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.58 1mx9 n LYS 5237CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1mx9 n ASN 5238N -3.36 3.63 -0.28 4.39 3.02 -1.26 -4.68 115.26 116.71 1mx9 n ASN 5238Ca 0.00 -3.42 0.08 0.00 -0.03 0.00 0.00 54.58 51.22 1mx9 n ASN 5238Cb 0.00 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 1mx9 n ASN 5238CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1mx9 n LEU 5239N -0.71 1.46 -3.64 3.41 4.77 0.11 -4.98 117.00 117.42 1mx9 n LEU 5239Ca 0.32 -0.69 -0.11 0.00 -0.03 0.00 0.00 56.01 55.50 1mx9 n LEU 5239Cb 0.90 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.94 1mx9 n LEU 5239CO 0.25 0.29 0.17 0.72 -1.33 0.00 0.00 177.39 177.49 1mx9 s PHE 5240N -2.21 -0.24 0.00 -1.77 -0.71 -1.26 -4.83 117.98 106.96 1mx9 s PHE 5240Ca 0.12 0.04 0.00 0.00 -1.04 0.00 0.00 56.93 56.05 1mx9 s PHE 5240Cb 0.14 0.25 0.00 0.00 -1.21 0.00 0.00 43.02 42.20 1mx9 s PHE 5240CO 0.52 -0.66 0.29 0.72 -1.34 0.00 0.00 175.22 174.75 1mx9 n HIS 5241N 0.05 0.00 -3.71 3.49 8.25 0.04 -4.96 115.22 118.38 1mx9 n HIS 5241Ca -0.17 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.17 1mx9 n HIS 5241Cb 0.62 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.63 1mx9 n HIS 5241CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1mx9 s ARG 5242N -0.04 0.50 0.08 -0.41 0.52 -1.20 -4.05 118.95 114.35 1mx9 s ARG 5242Ca 0.00 0.68 0.06 0.00 -0.52 0.00 0.00 55.73 55.95 1mx9 s ARG 5242Cb 0.00 0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 1mx9 s ARG 5242CO 0.00 -0.09 -0.17 0.00 0.02 0.00 0.00 175.30 175.07 1mx9 s ALA 5243N 0.54 1.40 -0.16 2.13 0.00 -0.64 -1.36 121.76 123.67 1mx9 s ALA 5243Ca -0.02 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1mx9 s ALA 5243Cb -0.04 -0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.00 1mx9 s ALA 5243CO -0.03 0.24 0.20 0.42 0.00 0.00 0.00 175.76 176.59 1mx9 s ILE 5244N -1.21 -0.30 -0.20 0.00 1.01 -0.62 -0.87 121.20 119.00 1mx9 s ILE 5244Ca 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 1mx9 s ILE 5244Cb -0.10 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 1mx9 s ILE 5244CO 0.03 -0.07 0.04 -0.44 0.00 0.00 0.00 174.94 174.49 1mx9 s SER 5245N 2.32 5.22 -0.26 3.58 0.01 0.25 -2.83 113.70 121.98 1mx9 s SER 5245Ca 0.05 -0.08 -0.03 0.00 1.31 0.00 0.00 55.95 57.19 1mx9 s SER 5245Cb -0.14 -1.90 0.02 0.00 0.21 0.00 0.00 66.02 64.21 1mx9 s SER 5245CO -0.10 0.09 -0.02 -1.61 0.41 0.00 0.00 173.24 172.02 1mx9 s GLU 5246N 0.84 2.94 -0.85 12.44 2.02 -0.57 -1.63 118.70 133.89 1mx9 s GLU 5246Ca 0.02 -0.92 -0.04 0.00 0.02 0.00 0.00 54.97 54.05 1mx9 s GLU 5246Cb -0.14 -3.10 -0.00 0.00 0.10 0.00 0.00 34.13 30.99 1mx9 s GLU 5246CO 0.02 -0.40 0.68 0.43 0.02 0.00 0.00 175.26 176.02 1mx9 n SER 5247N 4.73 -6.21 0.00 -0.19 7.64 0.44 -0.51 113.62 119.53 1mx9 n SER 5247Ca -0.16 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1mx9 n SER 5247Cb 0.47 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 1mx9 n SER 5247CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mx9 n GLY 5248N -1.70 3.54 3.28 0.23 0.00 -1.26 -1.03 105.19 108.25 1mx9 n GLY 5248Ca -0.14 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 1mx9 n GLY 5248CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx9 s VAL 5249N 0.00 0.01 -0.55 1.61 -7.23 -1.26 -2.89 120.40 110.09 1mx9 s VAL 5249Ca 0.00 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.39 1mx9 s VAL 5249Cb 0.00 -2.36 0.06 0.00 0.56 0.00 0.00 36.38 34.65 1mx9 s VAL 5249CO 0.00 -0.07 1.11 0.00 -0.31 0.00 0.00 175.10 175.84 1mx9 n ALA 5250N -0.27 0.82 1.01 1.32 0.00 -1.26 -0.34 120.51 121.78 1mx9 n ALA 5250Ca -0.00 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1mx9 n ALA 5250Cb 0.65 -0.90 0.10 0.00 0.00 0.00 0.00 19.45 19.30 1mx9 n ALA 5250CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mx9 n LEU 5251N -1.67 2.91 -3.51 0.00 4.77 -1.26 -4.69 117.00 113.54 1mx9 n LEU 5251Ca -0.00 -0.97 -0.38 0.00 -0.03 0.00 0.00 56.01 54.62 1mx9 n LEU 5251Cb 0.12 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1mx9 n LEU 5251CO 0.03 0.49 2.23 0.41 -1.33 0.00 0.00 177.39 179.21 1mx9 n THR 5252N 1.23 2.11 -0.03 -5.08 -1.04 0.54 -4.81 114.28 107.20 1mx9 n THR 5252Ca 0.14 -1.65 0.02 0.00 -2.04 0.00 0.00 64.05 60.52 1mx9 n THR 5252Cb 0.59 -2.29 0.05 0.00 -1.82 0.00 0.00 70.33 66.85 1mx9 n THR 5252CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1mx9 n SER 5253N 6.49 0.02 -0.33 8.00 3.41 -1.26 -0.55 113.62 129.39 1mx9 n SER 5253Ca 0.49 0.16 0.09 0.00 -0.26 0.00 0.00 58.87 59.35 1mx9 n SER 5253Cb 0.33 -0.07 0.26 0.00 -0.26 0.00 0.00 64.21 64.47 1mx9 n SER 5253CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1mx9 h VAL 5254N 0.00 0.77 0.00 -3.33 3.04 -1.78 -1.48 116.25 113.47 1mx9 h VAL 5254Ca 0.07 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1mx9 h VAL 5254Cb 0.18 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.39 1mx9 h VAL 5254CO -0.08 0.14 -0.03 0.18 -1.01 0.00 0.00 177.57 176.77 1mx9 n LEU 5255N -4.77 0.49 -4.47 3.16 4.77 0.29 -4.79 117.00 111.68 1mx9 n LEU 5255Ca 0.20 0.52 -0.33 0.00 -0.03 0.00 0.00 56.01 56.37 1mx9 n LEU 5255Cb 0.46 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.04 1mx9 n LEU 5255CO 0.23 -0.10 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.07 1mx9 s VAL 5256N -3.06 3.30 -0.46 4.08 1.01 -0.56 -1.01 120.40 123.71 1mx9 s VAL 5256Ca 0.12 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1mx9 s VAL 5256Cb 0.15 -2.35 0.11 0.00 0.00 0.00 0.00 36.38 34.29 1mx9 s VAL 5256CO 0.58 0.56 0.32 -0.54 0.00 0.00 0.00 175.10 176.02 1mx9 s LYS 5257N -0.32 2.48 0.18 2.72 -0.14 0.53 -4.84 119.74 120.35 1mx9 s LYS 5257Ca 0.04 -1.71 -0.07 0.00 -1.36 0.00 0.00 55.97 52.87 1mx9 s LYS 5257Cb -0.13 -3.88 -0.06 0.00 -1.68 0.00 0.00 37.83 32.08 1mx9 s LYS 5257CO 0.02 -1.14 0.46 -1.59 -0.76 0.00 0.00 175.35 172.34 1mx9 s LYS 5258N 1.36 3.71 1.05 1.68 0.00 -1.26 -4.31 119.74 121.96 1mx9 s LYS 5258Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 55.97 56.11 1mx9 s LYS 5258Cb -0.25 -2.75 0.00 0.00 0.00 0.00 0.00 37.83 34.82 1mx9 s LYS 5258CO -0.00 0.39 0.00 0.41 0.00 0.00 0.00 175.35 176.15 1mx9 n GLY 5259N -0.02 -1.53 3.63 0.59 0.00 -1.26 -4.86 105.19 101.74 1mx9 n GLY 5259Ca -0.01 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 1mx9 n GLY 5259CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 5260N -4.00 6.73 0.01 1.61 2.15 -1.26 -4.89 116.67 117.03 1mx9 s ASP 5260Ca 0.00 1.18 0.24 0.00 0.43 0.00 0.00 52.55 54.40 1mx9 s ASP 5260Cb 0.00 -2.54 0.25 0.00 -0.30 0.00 0.00 42.92 40.33 1mx9 s ASP 5260CO 0.00 -1.03 1.23 1.33 -0.17 0.00 0.00 175.17 176.53 1mx9 n VAL 5261N 6.12 0.04 -0.27 1.11 0.24 -1.26 -4.37 118.33 119.94 1mx9 n VAL 5261Ca 0.14 -0.05 0.20 0.00 -2.04 0.00 0.00 64.34 62.59 1mx9 n VAL 5261Cb 0.47 0.40 0.51 0.00 -1.47 0.00 0.00 33.84 33.75 1mx9 n VAL 5261CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1mx9 h LYS 5262N 0.00 0.40 -0.08 7.34 1.63 -1.86 -1.36 116.57 122.64 1mx9 h LYS 5262Ca 0.00 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.70 1mx9 h LYS 5262Cb 0.55 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1mx9 h LYS 5262CO 0.00 0.27 -0.31 -1.35 -3.45 0.00 0.00 179.45 174.61 1mx9 h PRO 5263N 0.41 0.15 0.03 1.90 0.11 -1.97 -1.51 132.00 131.13 1mx9 h PRO 5263Ca 0.51 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 66.34 1mx9 h PRO 5263Cb 1.27 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1mx9 h PRO 5263CO -0.21 0.45 -0.98 1.25 -0.21 0.00 0.00 178.00 178.30 1mx9 h LEU 5264N 0.14 0.31 -0.94 2.35 5.85 -1.56 -1.87 115.31 119.59 1mx9 h LEU 5264Ca 0.02 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.35 1mx9 h LEU 5264Cb 0.62 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1mx9 h LEU 5264CO 0.05 1.12 -0.50 0.00 -0.34 0.00 0.00 178.44 178.76 1mx9 h ALA 5265N 0.85 1.09 -0.06 1.25 0.00 -1.32 -1.13 119.26 119.95 1mx9 h ALA 5265Ca -0.07 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 1mx9 h ALA 5265Cb 1.65 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.36 1mx9 h ALA 5265CO 0.15 0.63 -0.40 0.93 0.00 0.00 0.00 179.25 180.57 1mx9 h GLU 5266N 0.00 0.37 -0.43 0.00 5.08 -1.20 -1.23 114.58 117.18 1mx9 h GLU 5266Ca -0.01 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1mx9 h GLU 5266Cb 0.93 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 1mx9 h GLU 5266CO 0.07 0.97 0.20 0.37 -1.00 0.00 0.00 179.01 179.62 1mx9 h GLN 5267N -0.12 0.40 -0.43 2.33 4.15 -1.18 0.20 115.11 120.46 1mx9 h GLN 5267Ca -0.03 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1mx9 h GLN 5267Cb 1.07 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.65 1mx9 h GLN 5267CO 0.08 0.26 0.24 0.82 -1.93 0.00 0.00 178.83 178.31 1mx9 h ILE 5268N 0.41 1.15 -0.37 2.39 2.04 -1.18 -1.71 117.51 120.24 1mx9 h ILE 5268Ca 0.19 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1mx9 h ILE 5268Cb 0.11 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1mx9 h ILE 5268CO -0.14 0.16 0.17 0.00 0.00 0.00 0.00 178.15 178.34 1mx9 h ALA 5269N 1.10 0.48 -0.43 1.87 0.00 -0.78 0.13 119.26 121.63 1mx9 h ALA 5269Ca 0.15 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1mx9 h ALA 5269Cb 0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1mx9 h ALA 5269CO -0.03 0.05 0.13 0.82 0.00 0.00 0.00 179.25 180.22 1mx9 h ILE 5270N 0.46 0.84 -0.22 0.00 2.04 -0.76 0.31 117.51 120.18 1mx9 h ILE 5270Ca 0.13 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 1mx9 h ILE 5270Cb 0.13 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1mx9 h ILE 5270CO -0.02 0.05 -0.18 0.74 0.00 0.00 0.00 178.15 178.75 1mx9 h THR 5271N 0.29 1.23 0.00 -0.27 2.02 -1.02 -0.79 112.91 114.37 1mx9 h THR 5271Ca 0.20 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1mx9 h THR 5271Cb 0.21 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1mx9 h THR 5271CO -0.22 0.33 0.00 0.00 0.37 0.00 0.00 175.52 175.99 1mx9 n ALA 5272N -2.48 1.90 -0.41 6.16 0.00 0.44 -4.87 120.51 121.25 1mx9 n ALA 5272Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1mx9 n ALA 5272Cb 0.33 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1mx9 n ALA 5272CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx9 n GLY 5273N 0.52 0.76 3.97 0.00 0.00 -0.22 -5.05 105.19 105.18 1mx9 n GLY 5273Ca 0.04 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1mx9 n GLY 5273CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s LYS 5275N -4.17 1.11 -0.08 0.00 1.02 -1.26 -4.02 119.74 112.34 1mx9 s LYS 5275Ca 0.40 -0.29 0.15 0.00 0.02 0.00 0.00 55.97 56.25 1mx9 s LYS 5275Cb -0.09 -1.91 0.31 0.00 -0.52 0.00 0.00 37.83 35.62 1mx9 s LYS 5275CO 0.32 -2.11 1.14 0.25 -0.92 0.00 0.00 175.35 174.04 1mx9 n THR 5276N -3.57 0.91 -0.00 2.17 -2.24 -1.26 -4.31 114.28 105.97 1mx9 n THR 5276Ca 0.13 -1.60 -0.09 0.00 -2.27 0.00 0.00 64.05 60.22 1mx9 n THR 5276Cb 0.60 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 1mx9 n THR 5276CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mx9 h THR 5277N 4.23 0.61 -4.37 4.28 2.02 -1.96 -3.45 112.91 114.27 1mx9 h THR 5277Ca -0.08 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.91 1mx9 h THR 5277Cb 1.40 0.61 -0.14 0.00 -1.74 0.00 0.00 68.15 68.28 1mx9 h THR 5277CO 0.03 0.00 -0.53 0.42 0.37 0.00 0.00 175.52 175.82 1mx9 s THR 5278N -6.15 0.02 0.14 3.16 -4.23 -1.26 -5.00 115.64 102.33 1mx9 s THR 5278Ca -0.14 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 58.38 1mx9 s THR 5278Cb 0.10 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.63 1mx9 s THR 5278CO 0.68 -0.11 1.62 0.28 -0.54 0.00 0.00 174.62 176.54 1mx9 h SER 5279N 2.61 0.74 -0.91 3.99 0.02 -1.97 -2.57 113.55 115.45 1mx9 h SER 5279Ca -0.34 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 60.38 1mx9 h SER 5279Cb 1.24 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 1mx9 h SER 5279CO 0.51 0.82 0.60 0.00 -1.14 0.00 0.00 176.83 177.62 1mx9 h ALA 5280N 0.94 1.43 0.39 3.77 0.00 -1.96 -2.63 119.26 121.19 1mx9 h ALA 5280Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1mx9 h ALA 5280Cb 0.41 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1mx9 h ALA 5280CO 0.01 0.48 -0.19 0.28 0.00 0.00 0.00 179.25 179.84 1mx9 h VAL 5281N 1.14 0.60 -0.14 0.00 2.07 -1.86 -2.05 116.25 116.00 1mx9 h VAL 5281Ca 0.36 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1mx9 h VAL 5281Cb 0.02 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1mx9 h VAL 5281CO -0.11 0.07 -0.46 0.24 0.02 0.00 0.00 177.57 177.33 1mx9 h MET 5282N -0.75 -0.45 -0.74 1.57 0.00 -1.39 0.22 114.93 113.38 1mx9 h MET 5282Ca -0.05 0.03 0.12 0.00 0.00 0.00 0.00 59.70 59.80 1mx9 h MET 5282Cb 0.52 0.10 -0.13 0.00 0.00 0.00 0.00 31.60 32.09 1mx9 h MET 5282CO 0.09 -0.30 -0.34 0.28 0.00 0.00 0.00 176.91 176.63 1mx9 h VAL 5283N -0.47 0.12 -0.36 -2.22 2.07 -1.53 0.19 116.25 114.05 1mx9 h VAL 5283Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1mx9 h VAL 5283Cb 0.56 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1mx9 h VAL 5283CO -0.38 0.00 0.10 -0.74 0.02 0.00 0.00 177.57 176.57 1mx9 h HIS 5284N -0.10 0.18 -0.28 1.57 -0.00 -0.58 0.81 115.15 116.75 1mx9 h HIS 5284Ca 0.28 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.63 1mx9 h HIS 5284Cb 0.57 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 1mx9 h HIS 5284CO -0.71 0.06 0.01 0.00 -0.00 0.00 0.00 177.93 177.29 1mx9 h LEU 5286N 0.28 0.48 0.00 0.00 3.38 -0.54 -0.97 115.31 117.93 1mx9 h LEU 5286Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1mx9 h LEU 5286Cb 0.40 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1mx9 h LEU 5286CO 0.01 0.46 0.00 -1.14 0.09 0.00 0.00 178.44 177.86 1mx9 n ARG 5287N -4.37 0.51 0.00 1.13 0.63 0.26 -2.39 116.66 112.43 1mx9 n ARG 5287Ca 0.02 0.04 0.04 0.00 -0.92 0.00 0.00 57.85 57.03 1mx9 n ARG 5287Cb 0.16 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.54 1mx9 n ARG 5287CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1mx9 n GLN 5288N -1.11 3.11 -2.23 -0.14 6.02 -0.39 -4.85 117.38 117.78 1mx9 n GLN 5288Ca 0.13 -0.30 -0.32 0.00 -0.01 0.00 0.00 57.00 56.51 1mx9 n GLN 5288Cb 0.11 -0.98 -0.02 0.00 1.02 0.00 0.00 30.24 30.36 1mx9 n GLN 5288CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1mx9 s LYS 5289N -1.54 3.80 0.97 -1.09 1.02 -1.01 -5.05 119.74 116.85 1mx9 s LYS 5289Ca 0.05 0.93 -0.14 0.00 0.02 0.00 0.00 55.97 56.84 1mx9 s LYS 5289Cb 0.07 -2.11 0.17 0.00 -0.52 0.00 0.00 37.83 35.44 1mx9 s LYS 5289CO 0.29 -0.40 1.15 0.95 -0.92 0.00 0.00 175.35 176.41 1mx9 s THR 5290N -2.74 1.94 0.10 2.17 -4.23 -1.26 -4.86 115.64 106.76 1mx9 s THR 5290Ca 0.58 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.86 1mx9 s THR 5290Cb -0.11 -2.70 -0.11 0.00 1.34 0.00 0.00 72.50 70.92 1mx9 s THR 5290CO 0.37 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 176.08 1mx9 h GLU 5291N -1.74 -0.14 -0.45 3.99 4.81 -1.98 -2.24 114.58 116.83 1mx9 h GLU 5291Ca -0.50 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.80 1mx9 h GLU 5291Cb 1.32 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 1mx9 h GLU 5291CO 0.55 -0.09 0.18 0.93 -0.73 0.00 0.00 179.01 179.84 1mx9 h GLU 5292N -0.14 0.35 -0.22 1.92 4.39 -1.99 0.01 114.58 118.90 1mx9 h GLU 5292Ca 0.02 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1mx9 h GLU 5292Cb 0.17 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1mx9 h GLU 5292CO -0.06 0.23 0.15 0.93 -1.16 0.00 0.00 179.01 179.10 1mx9 h GLU 5293N 0.36 0.12 0.15 2.33 5.08 -1.84 0.26 114.58 121.04 1mx9 h GLU 5293Ca 0.21 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.28 1mx9 h GLU 5293Cb 0.19 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.44 1mx9 h GLU 5293CO -0.20 0.08 -1.20 -0.07 -1.00 0.00 0.00 179.01 176.62 1mx9 h LEU 5294N 0.13 0.80 -0.33 1.33 3.38 -0.65 -2.88 115.31 117.09 1mx9 h LEU 5294Ca 0.09 -0.86 0.02 0.00 0.09 0.00 0.00 57.88 57.23 1mx9 h LEU 5294Cb 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1mx9 h LEU 5294CO -0.01 1.58 0.17 0.25 0.09 0.00 0.00 178.44 180.52 1mx9 h LEU 5295N 0.14 0.26 -1.67 1.67 5.85 -0.10 -1.09 115.31 120.37 1mx9 h LEU 5295Ca -0.19 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.65 1mx9 h LEU 5295Cb 1.90 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.85 1mx9 h LEU 5295CO 0.23 0.19 0.40 -0.33 -0.34 0.00 0.00 178.44 178.59 1mx9 h GLU 5296N 0.35 0.36 -0.29 1.25 5.08 -1.03 0.72 114.58 121.02 1mx9 h GLU 5296Ca 0.14 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1mx9 h GLU 5296Cb 0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1mx9 h GLU 5296CO -0.09 0.24 -0.05 1.15 -1.00 0.00 0.00 179.01 179.26 1mx9 h THR 5297N 0.37 1.28 -0.91 1.13 2.02 -1.04 0.16 112.91 115.92 1mx9 h THR 5297Ca 0.28 -1.06 0.06 0.00 0.77 0.00 0.00 66.41 66.46 1mx9 h THR 5297Cb 0.60 1.38 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 1mx9 h THR 5297CO -0.07 0.34 0.57 0.74 0.37 0.00 0.00 175.52 177.47 1mx9 h THR 5298N 0.32 1.06 0.11 3.16 2.02 0.25 0.62 112.91 120.44 1mx9 h THR 5298Ca 0.08 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1mx9 h THR 5298Cb 0.52 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1mx9 h THR 5298CO 0.03 0.19 -0.05 -0.07 0.37 0.00 0.00 175.52 175.98 1mx9 h LEU 5299N 1.04 -0.12 -1.31 2.58 3.38 -0.81 -2.87 115.31 117.20 1mx9 h LEU 5299Ca 0.39 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1mx9 h LEU 5299Cb 0.17 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1mx9 h LEU 5299CO -0.17 0.32 0.53 0.11 0.09 0.00 0.00 178.44 179.31 1mx9 h LYS 5300N -0.58 0.76 0.00 1.13 1.57 -0.29 0.27 116.57 119.42 1mx9 h LYS 5300Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1mx9 h LYS 5300Cb 0.47 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1mx9 h LYS 5300CO 0.02 0.50 0.00 0.52 -0.57 0.00 0.00 179.45 179.93 1mx9 h MET 5301N 0.78 0.00 -6.41 3.15 2.86 -0.84 -3.46 114.93 111.01 1mx9 h MET 5301Ca 0.37 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.53 1mx9 h MET 5301Cb 0.40 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1mx9 h MET 5301CO -0.14 0.00 -0.89 1.17 1.06 0.00 0.00 176.91 178.10 1mx9 n LYS 5302N -2.87 -3.01 -0.82 1.72 4.81 0.95 -4.93 118.16 114.01 1mx9 n LYS 5302Ca -0.00 0.43 -0.28 0.00 -0.87 0.00 0.00 58.31 57.58 1mx9 n LYS 5302Cb 0.20 -4.48 0.22 0.00 0.02 0.00 0.00 35.03 31.00 1mx9 n LYS 5302CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1mx9 s PHE 5303N -3.83 1.67 -1.44 5.64 0.40 -1.25 -3.98 117.98 115.19 1mx9 s PHE 5303Ca 0.10 1.10 -0.09 0.00 -0.60 0.00 0.00 56.93 57.44 1mx9 s PHE 5303Cb -0.04 -3.17 0.05 0.00 0.51 0.00 0.00 43.02 40.37 1mx9 s PHE 5303CO 0.88 -3.46 0.70 1.28 0.70 0.00 0.00 175.22 175.32 1mx9 n LEU 5304N -4.61 -2.30 -3.88 -0.37 4.77 0.38 -4.98 117.00 106.02 1mx9 n LEU 5304Ca 0.04 -0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 55.45 1mx9 n LEU 5304Cb 0.55 -2.58 -0.12 0.00 -2.33 0.00 0.00 43.42 38.94 1mx9 n LEU 5304CO 0.57 0.29 -0.28 -0.55 -1.33 0.00 0.00 177.39 176.10 1mx9 s SER 5305N -2.89 -0.00 -0.10 -1.43 0.15 -1.26 -4.51 113.70 103.66 1mx9 s SER 5305Ca 0.45 -0.03 -0.30 0.00 0.70 0.00 0.00 55.95 56.77 1mx9 s SER 5305Cb -0.22 0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1mx9 s SER 5305CO 0.55 -0.13 1.41 -0.22 1.20 0.00 0.00 173.24 176.05 1mx9 s LEU 5306N -0.46 4.25 -0.72 3.45 2.96 -0.89 -4.81 118.68 122.45 1mx9 s LEU 5306Ca -0.05 1.93 -0.27 0.00 -0.22 0.00 0.00 54.13 55.52 1mx9 s LEU 5306Cb -0.03 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.13 1mx9 s LEU 5306CO 0.00 -0.80 1.43 -0.62 -1.32 0.00 0.00 176.35 175.04 1mx9 s ASP 5307N 2.40 5.95 0.41 3.68 3.68 -1.26 -4.84 116.67 126.69 1mx9 s ASP 5307Ca 0.62 -0.31 0.28 0.00 2.13 0.00 0.00 52.55 55.27 1mx9 s ASP 5307Cb -0.27 -2.55 1.01 0.00 -1.45 0.00 0.00 42.92 39.65 1mx9 s ASP 5307CO 0.21 -1.96 1.82 -0.07 0.13 0.00 0.00 175.17 175.30 1mx9 h LEU 5308N 13.87 0.00 -9.26 -1.34 3.38 -1.94 -3.45 115.31 116.57 1mx9 h LEU 5308Ca -0.25 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.05 1mx9 h LEU 5308Cb 1.07 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1mx9 h LEU 5308CO 1.27 0.00 -0.73 -1.58 0.09 0.00 0.00 178.44 177.49 1mx9 s GLN 5309N -3.42 2.23 0.76 1.13 0.74 -1.26 -5.04 119.66 114.80 1mx9 s GLN 5309Ca 0.04 -0.96 0.00 0.00 0.05 0.00 0.00 55.36 54.49 1mx9 s GLN 5309Cb 0.09 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.84 1mx9 s GLN 5309CO 0.53 0.53 0.00 0.41 -0.55 0.00 0.00 175.29 176.21 1mx9 n GLY 5310N 0.85 -1.76 3.59 2.59 0.00 -1.26 -4.82 105.19 104.37 1mx9 n GLY 5310Ca -0.14 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 1mx9 n GLY 5310CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 5311N -4.00 6.48 0.26 1.61 -1.08 -1.26 -4.95 116.67 113.72 1mx9 s ASP 5311Ca 0.00 0.30 -0.09 0.00 -0.52 0.00 0.00 52.55 52.25 1mx9 s ASP 5311Cb 0.00 -2.34 0.41 0.00 -1.46 0.00 0.00 42.92 39.54 1mx9 s ASP 5311CO 0.00 -0.56 1.59 -0.65 0.52 0.00 0.00 175.17 176.07 1mx9 h PRO 5312N 8.33 0.01 -0.43 4.34 0.11 -1.87 -1.21 132.00 141.28 1mx9 h PRO 5312Ca -0.26 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.97 1mx9 h PRO 5312Cb 1.11 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1mx9 h PRO 5312CO 0.83 0.01 0.62 0.00 -0.21 0.00 0.00 178.00 179.25 1mx9 h ARG 5313N 0.01 0.00 0.01 1.05 3.08 -1.93 -2.32 114.38 114.29 1mx9 h ARG 5313Ca 0.43 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.14 1mx9 h ARG 5313Cb 0.69 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 1mx9 h ARG 5313CO -0.86 0.00 -2.08 -0.85 -1.07 0.00 0.00 179.97 175.11 1mx9 n GLU 5314N -3.37 0.67 -1.67 0.04 0.28 -0.46 -4.94 120.64 111.19 1mx9 n GLU 5314Ca 0.08 0.15 -0.51 0.00 -0.16 0.00 0.00 57.16 56.72 1mx9 n GLU 5314Cb 0.79 -1.65 -0.06 0.00 1.43 0.00 0.00 31.44 31.95 1mx9 n GLU 5314CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1mx9 n SER 5315N -2.97 2.70 -4.21 -1.84 3.41 -0.87 -4.94 113.62 104.89 1mx9 n SER 5315Ca -0.27 1.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.99 1mx9 n SER 5315Cb 1.09 -1.28 -0.09 0.00 -0.26 0.00 0.00 64.21 63.67 1mx9 n SER 5315CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1mx9 s GLN 5316N 2.54 2.44 0.45 4.33 -1.52 -1.26 -4.71 119.66 121.92 1mx9 s GLN 5316Ca 0.90 -1.71 0.25 0.00 -1.95 0.00 0.00 55.36 52.85 1mx9 s GLN 5316Cb -0.85 -3.85 0.64 0.00 -0.22 0.00 0.00 33.01 28.73 1mx9 s GLN 5316CO 0.52 -1.13 1.71 -1.00 -0.25 0.00 0.00 175.29 175.14 1mx9 h PRO 5317N 8.38 0.00 -4.22 2.91 0.13 -1.92 -3.44 132.00 133.85 1mx9 h PRO 5317Ca -0.20 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.74 1mx9 h PRO 5317Cb 1.07 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.01 1mx9 h PRO 5317CO 0.82 0.07 -0.70 -0.51 -0.23 0.00 0.00 178.00 177.45 1mx9 s LEU 5318N -6.28 2.33 -0.63 1.56 1.43 -1.26 0.14 118.68 115.97 1mx9 s LEU 5318Ca 0.05 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1mx9 s LEU 5318Cb 0.07 0.06 0.16 0.00 0.03 0.00 0.00 46.19 46.51 1mx9 s LEU 5318CO 0.64 -0.37 0.45 -0.22 0.23 0.00 0.00 176.35 177.09 1mx9 s LEU 5319N -1.99 5.42 0.00 1.79 0.20 -1.26 -5.05 118.68 117.79 1mx9 s LEU 5319Ca -0.07 -2.74 0.00 0.00 0.69 0.00 0.00 54.13 52.01 1mx9 s LEU 5319Cb -0.04 -1.90 0.00 0.00 -0.43 0.00 0.00 46.19 43.82 1mx9 s LEU 5319CO -0.03 -0.42 0.00 0.61 -0.29 0.00 0.00 176.35 176.22 1mx9 n GLY 5320N 3.68 3.27 3.75 7.98 0.00 -1.26 -4.68 105.19 117.93 1mx9 n GLY 5320Ca 0.07 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 1mx9 n GLY 5320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx9 s THR 5321N 2.96 2.88 0.14 2.61 2.01 -0.18 -4.72 115.64 121.34 1mx9 s THR 5321Ca 0.00 0.45 -0.06 0.00 0.31 0.00 0.00 61.69 62.39 1mx9 s THR 5321Cb 0.00 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1mx9 s THR 5321CO 0.00 -0.21 0.19 0.68 -0.69 0.00 0.00 174.62 174.59 1mx9 s VAL 5322N -2.05 0.09 -1.39 3.82 -7.23 -1.26 -0.35 120.40 112.04 1mx9 s VAL 5322Ca 0.71 -1.54 -0.12 0.00 -1.81 0.00 0.00 61.98 59.23 1mx9 s VAL 5322Cb -0.25 -1.82 0.09 0.00 0.56 0.00 0.00 36.38 34.96 1mx9 s VAL 5322CO 0.39 -0.43 2.11 -0.38 -0.31 0.00 0.00 175.10 176.49 1mx9 n ILE 5323N -0.14 3.89 -0.29 -0.62 2.08 -1.26 -4.71 119.36 118.30 1mx9 n ILE 5323Ca -0.08 -3.60 0.05 0.00 0.56 0.00 0.00 62.75 59.69 1mx9 n ILE 5323Cb 0.63 -2.49 0.26 0.00 -0.75 0.00 0.00 39.64 37.29 1mx9 n ILE 5323CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1mx9 h ASP 5324N 5.82 0.86 0.00 4.38 -0.00 -1.80 -3.47 116.42 122.21 1mx9 h ASP 5324Ca 0.51 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.55 1mx9 h ASP 5324Cb 0.61 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 39.77 1mx9 h ASP 5324CO 1.77 0.54 0.00 0.61 -0.00 0.00 0.00 179.24 182.16 1mx9 n GLY 5325N -1.40 0.65 0.57 7.15 0.00 -0.50 -4.92 105.19 106.74 1mx9 n GLY 5325Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1mx9 n GLY 5325CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mx9 n MET 5326N -1.13 0.29 -0.06 1.61 2.81 -1.26 -4.68 117.12 114.70 1mx9 n MET 5326Ca 0.00 0.12 -0.07 0.00 -1.81 0.00 0.00 57.70 55.94 1mx9 n MET 5326Cb 0.00 -0.99 -0.06 0.00 -0.71 0.00 0.00 33.22 31.46 1mx9 n MET 5326CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mx9 h LEU 5327N -0.50 0.00 -8.28 4.03 5.85 -1.95 -3.43 115.31 111.03 1mx9 h LEU 5327Ca -0.26 -0.42 -0.66 0.00 0.84 0.00 0.00 57.88 57.38 1mx9 h LEU 5327Cb 1.09 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.82 1mx9 h LEU 5327CO -0.16 0.77 -0.76 -0.76 -0.34 0.00 0.00 178.44 177.19 1mx9 s LEU 5328N -8.36 2.79 0.10 2.25 1.43 -1.26 -4.32 118.68 111.31 1mx9 s LEU 5328Ca -0.10 -0.53 0.16 0.00 -1.03 0.00 0.00 54.13 52.62 1mx9 s LEU 5328Cb -0.01 -1.67 -0.11 0.00 0.03 0.00 0.00 46.19 44.44 1mx9 s LEU 5328CO 0.32 -0.04 0.97 -0.07 0.23 0.00 0.00 176.35 177.76 1mx9 h LEU 5329N 8.06 0.00 0.00 1.79 4.07 -1.87 -1.34 115.31 126.03 1mx9 h LEU 5329Ca -0.41 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.12 1mx9 h LEU 5329Cb 1.15 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.77 1mx9 h LEU 5329CO 0.61 0.62 -0.42 0.29 -1.08 0.00 0.00 178.44 178.46 1mx9 n LYS 5330N -3.00 0.38 -2.15 1.13 5.02 -1.26 -4.84 118.16 113.44 1mx9 n LYS 5330Ca -0.07 -2.99 -0.34 0.00 -2.02 0.00 0.00 58.31 52.88 1mx9 n LYS 5330Cb 0.84 2.41 0.01 0.00 -0.02 0.00 0.00 35.03 38.27 1mx9 n LYS 5330CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mx9 s THR 5331N -3.20 3.23 0.29 -0.18 -4.23 -1.26 -4.80 115.64 105.50 1mx9 s THR 5331Ca 0.35 0.71 0.02 0.00 -1.18 0.00 0.00 61.69 61.60 1mx9 s THR 5331Cb 0.02 -3.26 0.33 0.00 1.34 0.00 0.00 72.50 70.93 1mx9 s THR 5331CO 0.25 -0.22 1.63 -0.65 -0.54 0.00 0.00 174.62 175.08 1mx9 h PRO 5332N 0.92 0.14 -0.61 3.99 0.11 -2.00 0.83 132.00 135.39 1mx9 h PRO 5332Ca -0.49 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.65 1mx9 h PRO 5332Cb 1.25 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1mx9 h PRO 5332CO 0.56 0.09 0.36 0.93 -0.21 0.00 0.00 178.00 179.74 1mx9 h GLU 5333N 0.15 0.68 -0.23 1.05 3.07 -1.90 -2.36 114.58 115.03 1mx9 h GLU 5333Ca 0.57 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 59.29 1mx9 h GLU 5333Cb 1.18 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1mx9 h GLU 5333CO -0.72 0.45 -0.29 0.93 -1.40 0.00 0.00 179.01 177.98 1mx9 h GLU 5334N 0.70 0.46 0.00 2.33 5.08 -1.22 -3.01 114.58 118.91 1mx9 h GLU 5334Ca 0.25 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1mx9 h GLU 5334Cb 0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1mx9 h GLU 5334CO -0.13 0.70 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.30 1mx9 h LEU 5335N 0.40 0.00 -0.31 1.33 3.38 -0.82 -2.82 115.31 116.47 1mx9 h LEU 5335Ca 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1mx9 h LEU 5335Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1mx9 h LEU 5335CO 0.05 0.21 -0.33 1.56 0.09 0.00 0.00 178.44 180.03 1mx9 h GLN 5336N 0.00 0.00 0.31 1.13 4.20 -1.32 -3.34 115.11 116.09 1mx9 h GLN 5336Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1mx9 h GLN 5336Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1mx9 h GLN 5336CO 0.03 0.33 -0.15 0.00 -0.67 0.00 0.00 178.83 178.37 1mx9 h ALA 5337N 1.67 -0.74 -1.98 3.87 0.00 -1.53 -3.43 119.26 117.13 1mx9 h ALA 5337Ca -0.00 -0.09 -0.63 0.00 0.00 0.00 0.00 54.91 54.18 1mx9 h ALA 5337Cb 1.14 0.16 0.05 0.00 0.00 0.00 0.00 17.79 19.13 1mx9 h ALA 5337CO 0.04 -0.71 0.72 -0.85 0.00 0.00 0.00 179.25 178.46 1mx9 n GLU 5338N -3.63 1.72 -3.23 0.00 0.28 -1.23 -4.88 120.64 109.66 1mx9 n GLU 5338Ca -0.05 0.62 -0.46 0.00 -0.16 0.00 0.00 57.16 57.11 1mx9 n GLU 5338Cb 0.16 -2.35 -0.01 0.00 1.43 0.00 0.00 31.44 30.67 1mx9 n GLU 5338CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1mx9 s ARG 5339N 1.35 3.85 0.97 3.44 0.52 -1.26 -4.97 118.95 122.85 1mx9 s ARG 5339Ca 0.84 -2.61 -0.11 0.00 -0.52 0.00 0.00 55.73 53.33 1mx9 s ARG 5339Cb -0.81 -4.62 0.16 0.00 0.52 0.00 0.00 34.95 30.20 1mx9 s ARG 5339CO 0.45 -1.40 1.00 0.27 0.02 0.00 0.00 175.30 175.63 1mx9 n ASN 5340N 4.16 -0.40 -0.40 0.23 6.94 -1.26 -4.95 115.26 119.58 1mx9 n ASN 5340Ca 0.21 0.30 0.13 0.00 -0.02 0.00 0.00 54.58 55.20 1mx9 n ASN 5340Cb 0.44 -1.39 0.43 0.00 -2.36 0.00 0.00 39.78 36.90 1mx9 n ASN 5340CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1mx9 n PHE 5341N -4.30 0.00 -3.87 -2.53 0.99 -1.26 -4.70 117.46 101.78 1mx9 n PHE 5341Ca 0.10 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.19 1mx9 n PHE 5341Cb 0.53 -0.05 -0.13 0.00 -1.00 0.00 0.00 39.48 38.82 1mx9 n PHE 5341CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1mx9 s HIS 5342N -2.23 3.34 0.22 1.38 2.46 -1.26 -5.08 115.29 114.12 1mx9 s HIS 5342Ca 0.31 -1.97 0.06 0.00 0.47 0.00 0.00 55.06 53.94 1mx9 s HIS 5342Cb 0.20 -2.35 -0.05 0.00 -0.13 0.00 0.00 32.58 30.25 1mx9 s HIS 5342CO 0.42 -0.83 -0.09 0.95 -2.47 0.00 0.00 174.74 172.72 1mx9 s THR 5343N 1.23 1.50 0.10 0.89 -4.23 -1.26 -5.12 115.64 108.76 1mx9 s THR 5343Ca -0.02 -2.13 -0.06 0.00 -1.18 0.00 0.00 61.69 58.30 1mx9 s THR 5343Cb -0.20 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 1mx9 s THR 5343CO -0.01 -0.49 0.14 0.68 -0.54 0.00 0.00 174.62 174.39 1mx9 s VAL 5344N -3.12 0.14 -0.01 2.29 -7.23 -1.26 -5.07 120.40 106.13 1mx9 s VAL 5344Ca 0.25 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 1mx9 s VAL 5344Cb 0.02 -1.62 -0.06 0.00 0.56 0.00 0.00 36.38 35.28 1mx9 s VAL 5344CO 0.08 -0.62 1.59 -2.84 -0.31 0.00 0.00 175.10 172.99 1mx9 s PRO 5345N -3.93 4.21 -0.12 4.82 0.02 -1.26 -4.50 135.00 134.24 1mx9 s PRO 5345Ca 0.12 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.30 1mx9 s PRO 5345Cb 0.06 -3.79 -0.02 0.00 0.02 0.00 0.00 34.50 30.77 1mx9 s PRO 5345CO -0.06 -0.75 -0.14 -0.47 -0.33 0.00 0.00 177.00 175.25 1mx9 s TYR 5346N 3.31 2.78 -0.17 6.54 6.04 0.02 -1.62 117.35 134.25 1mx9 s TYR 5346Ca 0.71 -0.58 -0.03 0.00 0.04 0.00 0.00 57.07 57.21 1mx9 s TYR 5346Cb -0.34 -1.80 -0.02 0.00 -1.04 0.00 0.00 41.96 38.75 1mx9 s TYR 5346CO 0.29 -0.16 -0.05 1.41 -1.54 0.00 0.00 175.55 175.50 1mx9 s MET 5347N 0.18 3.55 -0.08 4.97 -2.45 -0.05 -2.02 119.30 123.40 1mx9 s MET 5347Ca -0.08 -0.57 0.01 0.00 -1.25 0.00 0.00 55.69 53.80 1mx9 s MET 5347Cb -0.15 -2.89 0.02 0.00 1.25 0.00 0.00 34.83 33.06 1mx9 s MET 5347CO 0.05 0.13 -0.10 0.08 1.05 0.00 0.00 175.02 176.24 1mx9 s VAL 5348N 0.62 1.04 0.09 10.11 1.01 0.58 -0.58 120.40 133.27 1mx9 s VAL 5348Ca -0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1mx9 s VAL 5348Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1mx9 s VAL 5348CO 0.03 0.35 0.07 -0.83 0.00 0.00 0.00 175.10 174.71 1mx9 s GLY 5349N 1.09 0.56 0.30 4.51 0.00 -0.65 -3.15 107.32 109.98 1mx9 s GLY 5349Ca -0.07 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.53 1mx9 s GLY 5349CO -0.01 -1.19 0.17 -0.26 0.00 0.00 0.00 173.10 171.81 1mx9 s ILE 5350N -3.95 0.24 0.32 0.90 -4.36 -0.78 -0.42 121.20 113.15 1mx9 s ILE 5350Ca 0.13 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.61 1mx9 s ILE 5350Cb 0.07 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.23 1mx9 s ILE 5350CO -0.05 0.00 0.07 0.20 0.24 0.00 0.00 174.94 175.39 1mx9 s ASN 5351N -3.35 4.52 0.41 4.36 0.01 -1.26 -0.54 114.94 119.09 1mx9 s ASN 5351Ca 0.37 -0.79 0.14 0.00 -0.71 0.00 0.00 52.86 51.86 1mx9 s ASN 5351Cb 0.05 -0.71 0.88 0.00 0.41 0.00 0.00 41.25 41.87 1mx9 s ASN 5351CO 0.18 -0.20 1.92 0.50 -1.51 0.00 0.00 177.10 177.99 1mx9 h LYS 5352N 1.70 0.00 -2.05 -0.60 1.63 -0.89 -3.33 116.57 113.04 1mx9 h LYS 5352Ca -0.44 -0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 58.86 1mx9 h LYS 5352Cb 1.25 -0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.48 1mx9 h LYS 5352CO 0.63 0.27 -1.05 1.04 -3.45 0.00 0.00 179.45 176.89 1mx9 n GLN 5353N -4.23 1.60 -0.34 1.90 6.02 0.23 -4.97 117.38 117.61 1mx9 n GLN 5353Ca -0.02 -3.78 0.19 0.00 -0.01 0.00 0.00 57.00 53.37 1mx9 n GLN 5353Cb 0.31 -1.84 0.37 0.00 1.02 0.00 0.00 30.24 30.09 1mx9 n GLN 5353CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1mx9 h GLU 5354N 2.99 0.01 -0.67 -1.09 4.39 -1.68 0.69 114.58 119.23 1mx9 h GLU 5354Ca 0.11 -0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.55 1mx9 h GLU 5354Cb 0.85 -0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.34 1mx9 h GLU 5354CO 0.59 0.01 0.26 0.34 -1.16 0.00 0.00 179.01 179.05 1mx9 n PHE 5355N -5.42 2.15 0.31 4.33 -0.00 -1.26 -3.64 117.46 113.93 1mx9 n PHE 5355Ca 0.27 -1.40 -0.15 0.00 -0.00 0.00 0.00 57.45 56.17 1mx9 n PHE 5355Cb 0.89 -0.67 -0.07 0.00 -0.00 0.00 0.00 39.48 39.63 1mx9 n PHE 5355CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1mx9 h GLY 5356N 1.82 -1.10 0.00 7.13 0.00 0.10 -3.43 103.07 107.60 1mx9 h GLY 5356Ca 0.32 0.46 0.00 0.00 0.00 0.00 0.00 47.33 48.10 1mx9 h GLY 5356CO 0.70 -0.37 0.00 1.87 0.00 0.00 0.00 176.54 178.74 1mx9 n TRP 5357N -4.73 -2.59 -0.10 5.60 -0.00 -1.26 -4.93 117.44 109.43 1mx9 n TRP 5357Ca -0.11 0.46 -0.03 0.00 -0.00 0.00 0.00 57.50 57.82 1mx9 n TRP 5357Cb 0.38 0.60 -0.02 0.00 -0.00 0.00 0.00 31.31 32.26 1mx9 n TRP 5357CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1mx9 h LEU 5358N 0.00 -0.51 0.06 5.87 5.85 -1.89 0.03 115.31 124.72 1mx9 h LEU 5358Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1mx9 h LEU 5358Cb 0.00 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1mx9 h LEU 5358CO 0.00 -0.06 -0.17 0.40 -0.34 0.00 0.00 178.44 178.28 1mx9 h ILE 5359N -0.00 0.00 -0.26 4.05 2.04 -1.90 -0.80 117.51 120.63 1mx9 h ILE 5359Ca 0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1mx9 h ILE 5359Cb 0.10 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1mx9 h ILE 5359CO -0.22 0.00 0.20 1.55 0.00 0.00 0.00 178.15 179.68 1mx9 h PRO 5360N -0.25 0.00 -0.69 2.37 0.13 -1.82 -1.07 132.00 130.67 1mx9 h PRO 5360Ca -0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1mx9 h PRO 5360Cb 0.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.35 1mx9 h PRO 5360CO -0.08 0.00 0.18 1.98 -0.23 0.00 0.00 178.00 179.85 1mx9 h MET 5361N 0.00 1.10 -0.01 0.86 1.85 -0.55 -1.44 114.93 116.76 1mx9 h MET 5361Ca 0.13 -0.26 0.00 0.00 -0.61 0.00 0.00 59.70 58.95 1mx9 h MET 5361Cb 0.53 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.41 1mx9 h MET 5361CO -0.00 0.97 -0.10 1.28 -0.40 0.00 0.00 176.91 178.66 1mx9 n LEU 5363N -4.26 0.62 -0.58 3.39 4.77 -0.35 -3.44 117.00 117.15 1mx9 n LEU 5363Ca 0.05 -0.09 0.05 0.00 -0.03 0.00 0.00 56.01 55.99 1mx9 n LEU 5363Cb 0.25 -0.14 0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1mx9 n LEU 5363CO 0.42 0.11 0.62 0.23 -1.33 0.00 0.00 177.39 177.44 1mx9 n MET 5364N -0.79 2.89 -3.53 3.23 2.81 -0.65 -4.87 117.12 116.21 1mx9 n MET 5364Ca 0.16 -2.01 -0.20 0.00 -1.81 0.00 0.00 57.70 53.84 1mx9 n MET 5364Cb 0.28 -1.25 0.08 0.00 -0.71 0.00 0.00 33.22 31.61 1mx9 n MET 5364CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1mx9 n SER 5365N 0.37 -2.83 -4.74 7.83 7.64 -1.00 -2.11 113.62 118.78 1mx9 n SER 5365Ca 0.11 -0.64 -0.41 0.00 1.01 0.00 0.00 58.87 58.93 1mx9 n SER 5365Cb 0.42 -4.89 -0.02 0.00 -1.01 0.00 0.00 64.21 58.71 1mx9 n SER 5365CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1mx9 s TYR 5366N -3.40 3.03 -0.77 1.43 5.04 -0.58 -4.72 117.35 117.38 1mx9 s TYR 5366Ca 0.14 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 1mx9 s TYR 5366Cb -0.06 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.43 1mx9 s TYR 5366CO 0.75 -2.68 0.37 -2.30 -1.34 0.00 0.00 175.55 170.35 1mx9 n PRO 5367N 2.45 0.61 -3.29 4.97 -0.02 -1.26 -4.54 135.00 133.92 1mx9 n PRO 5367Ca 0.07 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 61.08 1mx9 n PRO 5367Cb 0.40 -1.28 -0.02 0.00 -0.02 0.00 0.00 33.50 32.58 1mx9 n PRO 5367CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1mx9 s LEU 5368N 0.00 6.61 0.00 2.45 2.96 -1.26 -4.78 118.68 124.67 1mx9 s LEU 5368Ca 0.00 -2.63 0.00 0.00 -0.22 0.00 0.00 54.13 51.28 1mx9 s LEU 5368Cb 0.00 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.46 1mx9 s LEU 5368CO 0.00 -0.62 0.00 -0.24 -1.32 0.00 0.00 176.35 174.17 1mx9 n SER 5369N 4.20 4.59 -0.45 3.68 2.88 -1.26 -4.67 113.62 122.59 1mx9 n SER 5369Ca 0.15 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.72 1mx9 n SER 5369Cb 0.47 0.79 0.09 0.00 -0.75 0.00 0.00 64.21 64.81 1mx9 n SER 5369CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1mx9 n GLU 5370N -1.52 1.56 -0.04 -1.46 -0.58 -1.26 -4.87 120.64 112.47 1mx9 n GLU 5370Ca 0.00 -0.77 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 1mx9 n GLU 5370Cb 0.13 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1mx9 n GLU 5370CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mx9 n GLY 5371N 0.76 0.00 3.89 0.62 0.00 -1.26 -4.84 105.19 104.35 1mx9 n GLY 5371Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1mx9 n GLY 5371CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mx9 s GLN 5372N -0.09 2.35 -0.29 1.61 -0.21 -1.26 -4.75 119.66 117.02 1mx9 s GLN 5372Ca 0.00 -1.80 -0.17 0.00 0.02 0.00 0.00 55.36 53.41 1mx9 s GLN 5372Cb 0.00 -2.22 0.18 0.00 1.00 0.00 0.00 33.01 31.97 1mx9 s GLN 5372CO 0.00 -0.43 1.15 -1.17 -2.12 0.00 0.00 175.29 172.72 1mx9 s LEU 5373N -4.22 -0.25 0.26 2.90 2.96 -0.55 -4.88 118.68 114.91 1mx9 s LEU 5373Ca 0.42 0.40 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 1mx9 s LEU 5373Cb -0.02 1.37 -0.04 0.00 0.50 0.00 0.00 46.19 48.00 1mx9 s LEU 5373CO 0.25 -0.06 0.10 1.51 -1.32 0.00 0.00 176.35 176.83 1mx9 s ASP 5374N 1.08 5.05 0.25 3.68 -4.77 -1.26 -4.34 116.67 116.36 1mx9 s ASP 5374Ca -0.07 -0.44 -0.09 0.00 -3.30 0.00 0.00 52.55 48.65 1mx9 s ASP 5374Cb -0.03 -1.13 0.41 0.00 -1.09 0.00 0.00 42.92 41.08 1mx9 s ASP 5374CO -0.12 -0.02 1.60 -0.61 0.70 0.00 0.00 175.17 176.72 1mx9 h GLN 5375N 1.68 0.02 -0.49 2.11 5.75 -1.97 0.19 115.11 122.41 1mx9 h GLN 5375Ca -0.46 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.02 1mx9 h GLN 5375Cb 1.24 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 1mx9 h GLN 5375CO 0.61 0.02 0.25 -0.22 -2.65 0.00 0.00 178.83 176.83 1mx9 h LYS 5376N 0.02 0.69 -0.14 1.69 3.64 -1.99 -0.91 116.57 119.57 1mx9 h LYS 5376Ca 0.42 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1mx9 h LYS 5376Cb 0.69 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1mx9 h LYS 5376CO -0.81 0.56 -0.45 1.15 -2.27 0.00 0.00 179.45 177.63 1mx9 h THR 5377N 0.65 1.32 0.28 1.00 2.02 -1.68 -2.55 112.91 113.95 1mx9 h THR 5377Ca 0.17 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 1mx9 h THR 5377Cb 0.08 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1mx9 h THR 5377CO -0.02 0.50 -0.14 0.00 0.37 0.00 0.00 175.52 176.23 1mx9 h ALA 5378N 1.24 -0.38 -0.96 6.16 0.00 -0.72 -0.84 119.26 123.75 1mx9 h ALA 5378Ca 0.02 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.98 1mx9 h ALA 5378Cb 0.91 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 1mx9 h ALA 5378CO 0.08 -0.63 0.55 0.52 0.00 0.00 0.00 179.25 179.76 1mx9 h MET 5379N -0.54 0.65 -0.53 0.00 2.07 -1.08 0.38 114.93 115.88 1mx9 h MET 5379Ca -0.04 -0.04 -0.11 0.00 -2.07 0.00 0.00 59.70 57.44 1mx9 h MET 5379Cb 0.40 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 1mx9 h MET 5379CO 0.06 0.43 -0.11 1.03 1.07 0.00 0.00 176.91 179.39 1mx9 h SER 5380N 0.67 1.00 0.11 1.22 0.87 -1.16 -2.55 113.55 113.71 1mx9 h SER 5380Ca 0.56 -0.33 -0.13 0.00 -1.23 0.00 0.00 61.79 60.66 1mx9 h SER 5380Cb 0.91 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1mx9 h SER 5380CO -0.41 1.11 -0.47 -0.07 -0.53 0.00 0.00 176.83 176.47 1mx9 h LEU 5381N 0.89 0.46 -0.31 2.23 3.38 0.73 -3.06 115.31 119.63 1mx9 h LEU 5381Ca 0.14 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1mx9 h LEU 5381Cb 0.67 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1mx9 h LEU 5381CO 0.05 0.86 -0.03 0.25 0.09 0.00 0.00 178.44 179.66 1mx9 h LEU 5382N 0.34 0.55 -0.22 1.67 5.85 -0.25 -2.81 115.31 120.45 1mx9 h LEU 5382Ca 0.02 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.46 1mx9 h LEU 5382Cb 0.95 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 1mx9 h LEU 5382CO 0.08 0.75 -0.09 -0.25 -0.34 0.00 0.00 178.44 178.60 1mx9 h TRP 5383N 0.34 -0.21 0.00 1.25 -0.00 -1.43 0.12 115.95 116.03 1mx9 h TRP 5383Ca 0.08 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.00 1mx9 h TRP 5383Cb 0.49 0.13 -0.00 0.00 -0.00 0.00 0.00 29.16 29.77 1mx9 h TRP 5383CO 0.04 -0.14 -0.00 0.87 -0.00 0.00 0.00 178.44 179.21 1mx9 h LYS 5384N -0.05 0.00 -0.03 2.65 1.79 -1.52 -0.59 116.57 118.82 1mx9 h LYS 5384Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1mx9 h LYS 5384Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1mx9 h LYS 5384CO -0.26 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.54 1mx9 n SER 5385N -3.27 0.18 -0.30 0.86 7.64 0.43 -4.26 113.62 114.91 1mx9 n SER 5385Ca -0.03 -1.70 0.12 0.00 1.01 0.00 0.00 58.87 58.27 1mx9 n SER 5385Cb 0.09 -0.02 0.26 0.00 -1.01 0.00 0.00 64.21 63.53 1mx9 n SER 5385CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1mx9 h TYR 5386N 0.22 0.20 -0.02 1.43 3.20 -1.07 0.74 116.97 121.67 1mx9 h TYR 5386Ca 0.00 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1mx9 h TYR 5386Cb 0.05 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1mx9 h TYR 5386CO 0.02 -0.26 0.02 -1.00 -1.64 0.00 0.00 178.16 175.30 1mx9 h PRO 5387N 0.15 0.00 0.01 1.82 0.13 -1.79 0.20 132.00 132.52 1mx9 h PRO 5387Ca 0.53 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 65.31 1mx9 h PRO 5387Cb 1.06 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 1mx9 h PRO 5387CO -0.70 0.00 -1.93 1.28 -0.23 0.00 0.00 178.00 176.42 1mx9 n LEU 5388N -3.91 2.08 0.03 1.56 4.77 0.24 -4.47 117.00 117.31 1mx9 n LEU 5388Ca -0.03 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 1mx9 n LEU 5388Cb 0.11 -0.93 -0.09 0.00 -2.33 0.00 0.00 43.42 40.18 1mx9 n LEU 5388CO 0.28 0.51 -0.39 1.33 -1.33 0.00 0.00 177.39 177.79 1mx9 n VAL 5389N -4.16 0.23 -2.39 4.08 0.24 -0.22 -4.39 118.33 111.72 1mx9 n VAL 5389Ca -0.42 -0.48 -0.17 0.00 -2.04 0.00 0.00 64.34 61.23 1mx9 n VAL 5389Cb 0.83 -0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 33.12 1mx9 n VAL 5389CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mx9 s ILE 5391N -2.86 4.89 0.52 0.00 1.01 -1.26 -5.02 121.20 118.47 1mx9 s ILE 5391Ca 0.00 1.24 -0.21 0.00 0.00 0.00 0.00 60.65 61.68 1mx9 s ILE 5391Cb 0.00 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 1mx9 s ILE 5391CO 0.00 -0.09 0.93 0.00 0.00 0.00 0.00 174.94 175.78 1mx9 n ALA 5392N 5.94 0.03 -0.25 9.38 0.00 -1.26 -4.79 120.51 129.56 1mx9 n ALA 5392Ca 0.02 0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.61 1mx9 n ALA 5392Cb 0.48 -2.06 0.28 0.00 0.00 0.00 0.00 19.45 18.15 1mx9 n ALA 5392CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1mx9 h LYS 5393N 0.95 0.90 0.00 0.00 3.64 -1.97 -1.51 116.57 118.58 1mx9 h LYS 5393Ca -0.46 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 1mx9 h LYS 5393Cb 1.36 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1mx9 h LYS 5393CO 0.53 0.60 -0.16 1.05 -2.27 0.00 0.00 179.45 179.20 1mx9 h GLU 5394N 0.93 0.00 -0.00 1.90 4.11 -2.04 -2.82 114.58 116.66 1mx9 h GLU 5394Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1mx9 h GLU 5394Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1mx9 h GLU 5394CO -0.12 0.16 -0.75 1.28 0.07 0.00 0.00 179.01 179.65 1mx9 n LEU 5395N -3.96 0.78 -0.22 3.06 4.77 -0.60 -4.53 117.00 116.30 1mx9 n LEU 5395Ca -0.02 -0.27 0.02 0.00 -0.03 0.00 0.00 56.01 55.71 1mx9 n LEU 5395Cb 0.25 -0.12 0.11 0.00 -2.33 0.00 0.00 43.42 41.33 1mx9 n LEU 5395CO 0.33 0.19 0.82 0.40 -1.33 0.00 0.00 177.39 177.81 1mx9 h ILE 5396N 0.04 0.44 0.05 -0.08 1.08 -1.20 -2.37 117.51 115.47 1mx9 h ILE 5396Ca 0.00 -0.04 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1mx9 h ILE 5396Cb 0.50 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1mx9 h ILE 5396CO 0.00 0.02 -0.17 -0.65 -0.69 0.00 0.00 178.15 176.66 1mx9 h PRO 5397N 0.10 -0.30 -0.27 2.37 0.11 -1.80 0.31 132.00 132.53 1mx9 h PRO 5397Ca 0.34 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.54 1mx9 h PRO 5397Cb 0.57 0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.67 1mx9 h PRO 5397CO -0.58 -0.20 -0.25 0.93 -0.21 0.00 0.00 178.00 177.70 1mx9 h GLU 5398N -0.31 -0.23 0.22 1.05 5.08 -1.75 0.58 114.58 119.23 1mx9 h GLU 5398Ca 0.04 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1mx9 h GLU 5398Cb 0.35 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1mx9 h GLU 5398CO -0.13 -0.16 -0.28 0.00 -1.00 0.00 0.00 179.01 177.45 1mx9 h ALA 5399N 0.82 -0.54 -0.94 3.43 0.00 -1.20 0.14 119.26 120.97 1mx9 h ALA 5399Ca 0.15 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1mx9 h ALA 5399Cb 0.47 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1mx9 h ALA 5399CO -0.41 -0.84 0.61 1.15 0.00 0.00 0.00 179.25 179.75 1mx9 h THR 5400N -0.55 1.12 -0.12 0.00 2.02 0.37 -2.52 112.91 113.23 1mx9 h THR 5400Ca 0.01 -0.39 -0.22 0.00 0.77 0.00 0.00 66.41 66.57 1mx9 h THR 5400Cb 0.53 -0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1mx9 h THR 5400CO -0.10 0.21 -0.79 -0.08 0.37 0.00 0.00 175.52 175.13 1mx9 h GLU 5401N 1.14 0.75 -0.00 6.66 4.57 0.35 -1.23 114.58 126.82 1mx9 h GLU 5401Ca 0.39 -0.64 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1mx9 h GLU 5401Cb 0.08 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1mx9 h GLU 5401CO -0.15 1.25 0.01 -0.22 -1.18 0.00 0.00 179.01 178.72 1mx9 h LYS 5402N 0.46 0.00 0.00 1.92 1.63 -0.39 -1.11 116.57 119.08 1mx9 h LYS 5402Ca -0.06 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.52 1mx9 h LYS 5402Cb 1.43 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.02 1mx9 h LYS 5402CO 0.16 0.00 -1.82 0.66 -3.45 0.00 0.00 179.45 175.00 1mx9 n TYR 5403N -3.20 0.00 0.63 1.91 4.02 -0.98 -4.75 117.16 114.79 1mx9 n TYR 5403Ca -0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.93 1mx9 n TYR 5403Cb 0.08 -0.57 -0.04 0.00 -0.02 0.00 0.00 39.34 38.80 1mx9 n TYR 5403CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1mx9 n LEU 5404N -2.74 1.11 0.00 7.72 4.77 -0.47 -4.41 117.00 122.99 1mx9 n LEU 5404Ca -0.23 -0.65 0.07 0.00 -0.03 0.00 0.00 56.01 55.17 1mx9 n LEU 5404Cb 0.82 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 42.22 1mx9 n LEU 5404CO 0.18 0.23 0.71 0.61 -1.33 0.00 0.00 177.39 177.80 1mx9 n GLY 5405N 1.18 -0.93 0.07 -0.72 0.00 -0.42 -3.79 105.19 100.59 1mx9 n GLY 5405Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1mx9 n GLY 5405CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mx9 h GLY 5406N 2.40 -0.19 -0.13 -0.02 0.00 -1.78 -3.46 103.07 99.89 1mx9 h GLY 5406Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1mx9 h GLY 5406CO 0.00 -0.07 0.05 -0.37 0.00 0.00 0.00 176.54 176.15 1mx9 n THR 5407N -2.64 0.00 0.00 4.70 5.66 -1.25 -5.05 114.28 115.71 1mx9 n THR 5407Ca -0.02 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1mx9 n THR 5407Cb 0.07 -1.85 0.00 0.00 -1.55 0.00 0.00 70.33 67.00 1mx9 n THR 5407CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mx9 n ASP 5408N -3.10 2.68 -4.82 1.09 2.03 -1.26 -5.00 116.55 108.18 1mx9 n ASP 5408Ca 0.02 -0.07 -0.38 0.00 0.52 0.00 0.00 54.79 54.88 1mx9 n ASP 5408Cb 0.08 0.68 -0.06 0.00 -0.72 0.00 0.00 41.12 41.10 1mx9 n ASP 5408CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1mx9 s ASP 5409N -1.22 6.88 0.00 1.67 -4.77 -1.26 -4.96 116.67 113.02 1mx9 s ASP 5409Ca 0.00 1.05 0.00 0.00 -3.30 0.00 0.00 52.55 50.30 1mx9 s ASP 5409Cb 0.00 -2.29 0.00 0.00 -1.09 0.00 0.00 42.92 39.54 1mx9 s ASP 5409CO 0.00 0.28 0.56 0.35 0.70 0.00 0.00 175.17 177.06 1mx9 n THR 5410N 1.95 0.25 -0.08 2.11 -2.24 -1.26 -1.89 114.28 113.12 1mx9 n THR 5410Ca -0.12 0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 1mx9 n THR 5410Cb 0.52 -1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 67.62 1mx9 n THR 5410CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1mx9 h VAL 5411N 0.00 0.49 -0.27 2.28 2.07 -1.85 -1.45 116.25 117.52 1mx9 h VAL 5411Ca 0.00 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 1mx9 h VAL 5411Cb 0.00 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1mx9 h VAL 5411CO 0.00 0.17 -0.14 0.11 0.02 0.00 0.00 177.57 177.72 1mx9 h LYS 5412N -1.00 0.46 -0.76 1.57 1.57 -1.87 -2.21 116.57 114.33 1mx9 h LYS 5412Ca -0.16 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1mx9 h LYS 5412Cb 0.86 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 1mx9 h LYS 5412CO -0.10 0.60 0.47 0.87 -0.57 0.00 0.00 179.45 180.72 1mx9 h LYS 5413N 0.42 0.86 -0.37 3.15 1.57 -1.55 -0.86 116.57 119.80 1mx9 h LYS 5413Ca 0.08 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1mx9 h LYS 5413Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1mx9 h LYS 5413CO 0.03 0.57 0.04 -0.22 -0.57 0.00 0.00 179.45 179.31 1mx9 h LYS 5414N 0.89 0.62 -0.82 3.15 3.64 -1.41 -1.64 116.57 120.99 1mx9 h LYS 5414Ca 0.32 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1mx9 h LYS 5414Cb 0.09 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1mx9 h LYS 5414CO -0.14 0.70 0.50 -0.44 -2.27 0.00 0.00 179.45 177.80 1mx9 h ASP 5415N 0.46 0.78 0.34 4.20 3.32 -0.97 -0.39 116.42 124.15 1mx9 h ASP 5415Ca 0.11 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1mx9 h ASP 5415Cb 0.39 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1mx9 h ASP 5415CO 0.01 0.49 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.64 1mx9 h LEU 5416N 0.91 0.00 -0.48 1.55 3.38 -0.95 -2.15 115.31 117.56 1mx9 h LEU 5416Ca 0.36 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 1mx9 h LEU 5416Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1mx9 h LEU 5416CO -0.18 0.32 -0.41 0.15 0.09 0.00 0.00 178.44 178.41 1mx9 h PHE 5417N 0.00 0.96 0.00 1.13 3.57 -0.12 -0.76 116.94 121.72 1mx9 h PHE 5417Ca -0.00 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1mx9 h PHE 5417Cb 0.57 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1mx9 h PHE 5417CO 0.00 1.07 0.00 -0.07 -2.23 0.00 0.00 178.31 177.08 1mx9 h LEU 5418N 0.65 0.00 0.08 0.59 3.38 -0.85 -2.69 115.31 116.47 1mx9 h LEU 5418Ca 0.05 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.75 1mx9 h LEU 5418Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1mx9 h LEU 5418CO 0.09 0.00 -1.35 0.44 0.09 0.00 0.00 178.44 177.72 1mx9 h ASP 5419N 0.00 0.27 0.59 -0.43 3.32 -0.74 -2.89 116.42 116.54 1mx9 h ASP 5419Ca 0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 1mx9 h ASP 5419Cb 0.51 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.97 1mx9 h ASP 5419CO 0.00 1.27 -0.28 0.25 -1.72 0.00 0.00 179.24 178.76 1mx9 h LEU 5420N 0.05 -0.67 -0.23 1.55 6.46 -0.85 -1.30 115.31 120.31 1mx9 h LEU 5420Ca -0.16 -0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1mx9 h LEU 5420Cb 1.95 0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 41.98 1mx9 h LEU 5420CO 0.16 -0.38 -0.24 0.40 -0.62 0.00 0.00 178.44 177.75 1mx9 h ILE 5421N -0.94 0.39 -0.83 4.05 1.08 -1.63 -0.89 117.51 118.73 1mx9 h ILE 5421Ca -0.08 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.52 1mx9 h ILE 5421Cb 0.66 0.39 -0.09 0.00 -3.07 0.00 0.00 36.82 34.71 1mx9 h ILE 5421CO 0.13 0.00 0.43 0.00 -0.69 0.00 0.00 178.15 178.03 1mx9 h ALA 5422N 0.78 1.23 -0.39 1.87 0.00 -1.46 0.31 119.26 121.59 1mx9 h ALA 5422Ca 0.13 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1mx9 h ALA 5422Cb 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1mx9 h ALA 5422CO -0.38 -0.05 -0.29 -0.44 0.00 0.00 0.00 179.25 178.09 1mx9 h ASP 5423N 0.65 0.86 -0.11 0.00 3.32 -0.40 0.99 116.42 121.73 1mx9 h ASP 5423Ca 0.44 -0.34 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1mx9 h ASP 5423Cb 0.57 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1mx9 h ASP 5423CO -0.33 1.09 -0.45 0.58 -1.72 0.00 0.00 179.24 178.41 1mx9 h VAL 5424N 0.71 1.30 0.18 -1.35 2.07 -0.08 0.22 116.25 119.30 1mx9 h VAL 5424Ca 0.08 -1.64 -0.25 0.00 0.82 0.00 0.00 66.70 65.71 1mx9 h VAL 5424Cb 0.83 1.58 0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1mx9 h VAL 5424CO 0.07 0.52 -1.12 0.24 0.02 0.00 0.00 177.57 177.30 1mx9 h MET 5425N 0.53 0.39 0.00 1.57 2.86 -0.26 -3.41 114.93 116.61 1mx9 h MET 5425Ca 0.03 -0.67 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 1mx9 h MET 5425Cb 0.99 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1mx9 h MET 5425CO 0.09 1.32 -0.51 1.19 1.06 0.00 0.00 176.91 180.06 1mx9 n PHE 5426N -3.95 0.00 0.00 -0.22 3.01 0.22 -4.59 117.46 111.93 1mx9 n PHE 5426Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1mx9 n PHE 5426Cb 0.94 0.09 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 1mx9 n PHE 5426CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 5427N 2.43 -3.48 0.19 1.37 0.00 -0.45 -0.60 105.19 104.64 1mx9 n GLY 5427Ca 0.00 0.63 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 1mx9 n GLY 5427CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mx9 h VAL 5428N 0.00 0.72 -0.68 1.61 2.07 -0.82 -2.65 116.25 116.49 1mx9 h VAL 5428Ca 0.00 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.56 1mx9 h VAL 5428Cb 0.00 0.78 -0.13 0.00 -1.52 0.00 0.00 31.29 30.42 1mx9 h VAL 5428CO 0.00 0.02 -0.12 -0.65 0.02 0.00 0.00 177.57 176.85 1mx9 h PRO 5429N -0.46 0.03 0.09 1.57 0.11 -1.71 -0.86 132.00 130.77 1mx9 h PRO 5429Ca -0.04 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.09 1mx9 h PRO 5429Cb 0.35 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 1mx9 h PRO 5429CO 0.07 0.02 -0.47 0.77 -0.21 0.00 0.00 178.00 178.18 1mx9 h SER 5430N 0.03 -1.42 -0.31 -2.05 0.02 -0.66 -1.57 113.55 107.59 1mx9 h SER 5430Ca 0.34 0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.48 1mx9 h SER 5430Cb 0.54 0.53 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1mx9 h SER 5430CO -0.67 -0.52 0.21 0.58 -1.14 0.00 0.00 176.83 175.29 1mx9 h VAL 5431N -0.68 0.99 -0.36 2.27 2.07 -1.04 -0.10 116.25 119.40 1mx9 h VAL 5431Ca 0.02 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 1mx9 h VAL 5431Cb 0.71 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1mx9 h VAL 5431CO -0.29 0.05 -0.33 0.40 0.02 0.00 0.00 177.57 177.42 1mx9 h ILE 5432N 0.27 1.28 -0.50 4.57 2.04 -0.58 -1.85 117.51 122.74 1mx9 h ILE 5432Ca 0.13 -1.49 -0.07 0.00 1.00 0.00 0.00 64.86 64.43 1mx9 h ILE 5432Cb 0.19 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1mx9 h ILE 5432CO -0.03 0.49 0.02 0.58 0.00 0.00 0.00 178.15 179.22 1mx9 h VAL 5433N 0.67 1.26 -0.19 1.67 2.07 -0.14 -2.65 116.25 118.95 1mx9 h VAL 5433Ca 0.07 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1mx9 h VAL 5433Cb 0.88 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1mx9 h VAL 5433CO 0.08 0.37 0.08 0.00 0.02 0.00 0.00 177.57 178.12 1mx9 h ALA 5434N 0.94 0.24 -0.59 1.67 0.00 -0.97 -2.29 119.26 118.26 1mx9 h ALA 5434Ca 0.14 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1mx9 h ALA 5434Cb 0.48 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1mx9 h ALA 5434CO 0.02 -0.19 0.36 0.00 0.00 0.00 0.00 179.25 179.45 1mx9 h ARG 5435N 0.16 0.69 -0.46 0.00 3.08 -1.30 -0.91 114.38 115.64 1mx9 h ARG 5435Ca 0.06 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1mx9 h ARG 5435Cb 0.14 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1mx9 h ARG 5435CO -0.01 0.46 0.03 -0.91 -1.07 0.00 0.00 179.97 178.47 1mx9 h ASN 5436N 0.71 0.70 -0.23 7.04 -0.26 -1.42 0.92 115.58 123.04 1mx9 h ASN 5436Ca 0.24 -0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.80 1mx9 h ASN 5436Cb 0.02 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1mx9 h ASN 5436CO -0.10 0.75 0.03 -0.74 -1.06 0.00 0.00 177.43 176.31 1mx9 h HIS 5437N 0.70 0.42 0.01 1.19 2.76 -0.96 -2.30 115.15 116.97 1mx9 h HIS 5437Ca 0.14 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1mx9 h HIS 5437Cb 0.39 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 1mx9 h HIS 5437CO 0.02 0.53 -0.20 -0.09 -1.30 0.00 0.00 177.93 176.89 1mx9 h ARG 5438N 0.19 -0.31 0.00 5.26 2.43 -0.66 -1.33 114.38 119.95 1mx9 h ARG 5438Ca 0.07 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1mx9 h ARG 5438Cb 0.34 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1mx9 h ARG 5438CO 0.01 -0.21 0.00 -0.25 -1.51 0.00 0.00 179.97 178.01 1mx9 n ASP 5439N -5.33 0.00 0.03 -3.80 8.00 0.27 -1.21 116.55 114.51 1mx9 n ASP 5439Ca -0.05 0.24 0.12 0.00 0.71 0.00 0.00 54.79 55.81 1mx9 n ASP 5439Cb 0.24 -0.34 0.10 0.00 -0.02 0.00 0.00 41.12 41.11 1mx9 n ASP 5439CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mx9 n ALA 5440N -1.34 3.37 0.00 2.24 0.00 -0.51 -4.97 120.51 119.30 1mx9 n ALA 5440Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1mx9 n ALA 5440Cb 0.08 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1mx9 n ALA 5440CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx9 n GLY 5441N 1.39 0.62 3.94 0.00 0.00 -0.35 -4.98 105.19 105.81 1mx9 n GLY 5441Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1mx9 n GLY 5441CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 5442N -2.00 3.88 -0.07 4.61 0.00 -1.21 -5.05 121.76 121.93 1mx9 s ALA 5442Ca 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 1mx9 s ALA 5442Cb 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 23.12 21.39 1mx9 s ALA 5442CO 0.00 0.31 1.74 -2.14 0.00 0.00 0.00 175.76 175.66 1mx9 s PRO 5443N -3.79 4.07 0.06 0.00 0.02 -1.26 -4.32 135.00 129.77 1mx9 s PRO 5443Ca 0.34 2.19 0.09 0.00 0.02 0.00 0.00 61.00 63.64 1mx9 s PRO 5443Cb -0.09 -4.05 -0.03 0.00 0.02 0.00 0.00 34.50 30.35 1mx9 s PRO 5443CO 0.28 -0.99 -0.25 0.99 -0.33 0.00 0.00 177.00 176.71 1mx9 s THR 5444N 4.48 2.02 -0.01 0.99 2.01 -1.26 -0.80 115.64 123.07 1mx9 s THR 5444Ca 0.77 -1.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1mx9 s THR 5444Cb -0.34 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1mx9 s THR 5444CO 0.32 0.28 0.08 -0.31 -0.69 0.00 0.00 174.62 174.30 1mx9 s TYR 5445N -0.85 0.04 0.19 4.92 2.02 -0.85 -0.23 117.35 122.59 1mx9 s TYR 5445Ca 0.11 -0.08 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 1mx9 s TYR 5445Cb -0.10 -0.05 -0.05 0.00 -0.40 0.00 0.00 41.96 41.36 1mx9 s TYR 5445CO 0.03 -0.17 -0.02 -1.64 -1.57 0.00 0.00 175.55 172.17 1mx9 s MET 5446N -0.85 1.19 0.14 -0.62 -1.94 -1.25 -0.31 119.30 115.66 1mx9 s MET 5446Ca -0.09 -1.58 -0.22 0.00 -1.71 0.00 0.00 55.69 52.09 1mx9 s MET 5446Cb -0.06 -0.49 0.06 0.00 2.01 0.00 0.00 34.83 36.36 1mx9 s MET 5446CO 0.00 -0.07 0.56 1.52 -0.01 0.00 0.00 175.02 177.02 1mx9 s TYR 5447N -3.49 -0.47 -0.19 -0.03 1.13 -1.19 -1.80 117.35 111.32 1mx9 s TYR 5447Ca 0.24 0.28 -0.01 0.00 -1.41 0.00 0.00 57.07 56.16 1mx9 s TYR 5447Cb 0.05 0.48 0.05 0.00 -1.10 0.00 0.00 41.96 41.44 1mx9 s TYR 5447CO 0.05 -0.80 -0.00 -2.00 -2.51 0.00 0.00 175.55 170.29 1mx9 s GLU 5448N -3.59 1.02 -0.21 -3.49 2.12 -0.75 -1.86 118.70 111.94 1mx9 s GLU 5448Ca 0.01 -0.53 -0.24 0.00 0.36 0.00 0.00 54.97 54.57 1mx9 s GLU 5448Cb -0.00 -2.12 -0.01 0.00 0.26 0.00 0.00 34.13 32.26 1mx9 s GLU 5448CO -0.11 -0.57 0.79 0.12 -0.54 0.00 0.00 175.26 174.95 1mx9 s PHE 5449N 1.72 3.36 -0.40 5.30 5.36 0.30 -1.93 117.98 131.69 1mx9 s PHE 5449Ca -0.01 1.14 0.02 0.00 -0.96 0.00 0.00 56.93 57.11 1mx9 s PHE 5449Cb -0.17 -2.99 0.12 0.00 -0.34 0.00 0.00 43.02 39.64 1mx9 s PHE 5449CO -0.07 -0.30 0.18 -1.14 -1.46 0.00 0.00 175.22 172.42 1mx9 s GLN 5450N 2.42 1.17 -0.14 10.12 0.74 0.43 -0.86 119.66 133.55 1mx9 s GLN 5450Ca 0.35 -1.75 -0.30 0.00 0.05 0.00 0.00 55.36 53.71 1mx9 s GLN 5450Cb -0.16 -2.36 0.12 0.00 1.10 0.00 0.00 33.01 31.71 1mx9 s GLN 5450CO 0.10 -1.09 0.94 -0.47 -0.55 0.00 0.00 175.29 174.22 1mx9 s TYR 5451N 0.75 -0.42 -0.54 1.67 5.04 -1.26 -4.13 117.35 118.46 1mx9 s TYR 5451Ca 0.15 0.71 -0.04 0.00 -2.44 0.00 0.00 57.07 55.45 1mx9 s TYR 5451Cb -0.22 0.45 0.14 0.00 0.35 0.00 0.00 41.96 42.68 1mx9 s TYR 5451CO -0.08 -0.39 0.36 0.50 -1.34 0.00 0.00 175.55 174.59 1mx9 s ARG 5452N -1.18 2.38 0.49 4.97 3.52 -1.26 -1.90 118.95 125.97 1mx9 s ARG 5452Ca -0.03 -2.22 -0.22 0.00 -0.13 0.00 0.00 55.73 53.12 1mx9 s ARG 5452Cb -0.00 -3.71 -0.08 0.00 -1.56 0.00 0.00 34.95 29.60 1mx9 s ARG 5452CO 0.03 -1.14 1.11 -0.35 -0.81 0.00 0.00 175.30 174.14 1mx9 n PRO 5453N 4.00 1.42 0.28 5.12 -0.04 -1.26 -4.85 135.00 139.66 1mx9 n PRO 5453Ca 0.03 0.52 0.18 0.00 -0.04 0.00 0.00 63.50 64.19 1mx9 n PRO 5453Cb 0.39 -2.25 0.82 0.00 -0.04 0.00 0.00 33.50 32.43 1mx9 n PRO 5453CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1mx9 h SER 5454N 1.35 0.00 -0.04 3.54 4.64 -1.98 -2.44 113.55 118.62 1mx9 h SER 5454Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1mx9 h SER 5454Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1mx9 h SER 5454CO 0.56 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 177.01 1mx9 n PHE 5455N -3.02 0.06 -0.71 4.77 3.01 -1.26 -4.90 117.46 115.41 1mx9 n PHE 5455Ca -0.00 -0.03 -0.29 0.00 1.01 0.00 0.00 57.45 58.14 1mx9 n PHE 5455Cb 0.23 -0.01 0.21 0.00 -0.01 0.00 0.00 39.48 39.90 1mx9 n PHE 5455CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1mx9 s SER 5456N -0.92 1.93 0.07 4.37 0.01 -0.92 -4.97 113.70 113.27 1mx9 s SER 5456Ca 0.03 1.68 -0.30 0.00 1.31 0.00 0.00 55.95 58.67 1mx9 s SER 5456Cb 0.02 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 1mx9 s SER 5456CO 0.02 -3.64 1.04 -0.55 0.41 0.00 0.00 173.24 170.52 1mx9 s SER 5457N -2.73 7.32 0.35 2.44 0.15 -1.26 -4.94 113.70 115.03 1mx9 s SER 5457Ca 0.67 1.84 0.16 0.00 0.70 0.00 0.00 55.95 59.33 1mx9 s SER 5457Cb -0.23 -2.58 1.15 0.00 -1.71 0.00 0.00 66.02 62.65 1mx9 s SER 5457CO 0.61 -0.25 1.65 0.44 1.20 0.00 0.00 173.24 176.90 1mx9 h ASP 5458N 6.20 0.47 0.52 5.45 3.32 -1.97 0.96 116.42 131.37 1mx9 h ASP 5458Ca -0.42 0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1mx9 h ASP 5458Cb 1.21 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1mx9 h ASP 5458CO 0.75 -0.18 0.00 0.23 -1.72 0.00 0.00 179.24 178.32 1mx9 n MET 5459N -5.06 0.22 -2.94 3.56 2.81 -1.26 -4.69 117.12 109.77 1mx9 n MET 5459Ca 0.33 0.09 -0.41 0.00 -1.81 0.00 0.00 57.70 55.89 1mx9 n MET 5459Cb 1.05 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 32.02 1mx9 n MET 5459CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mx9 s LYS 5460N -2.70 4.19 0.37 0.03 2.20 0.33 -5.01 119.74 119.15 1mx9 s LYS 5460Ca 0.18 0.87 -0.27 0.00 -0.36 0.00 0.00 55.97 56.38 1mx9 s LYS 5460Cb 0.15 -3.63 -0.10 0.00 -1.51 0.00 0.00 37.83 32.74 1mx9 s LYS 5460CO 0.36 -0.45 1.33 -1.25 -0.36 0.00 0.00 175.35 174.98 1mx9 s PRO 5461N 2.62 4.14 0.54 4.03 0.04 -1.26 -4.85 135.00 140.25 1mx9 s PRO 5461Ca 0.33 2.25 0.29 0.00 0.04 0.00 0.00 61.00 63.91 1mx9 s PRO 5461Cb -0.16 -2.91 1.58 0.00 0.04 0.00 0.00 34.50 33.06 1mx9 s PRO 5461CO 0.08 -0.38 1.87 1.57 0.04 0.00 0.00 177.00 180.18 1mx9 h LYS 5462N 3.00 0.00 0.00 4.56 2.10 -1.95 -2.55 116.57 121.73 1mx9 h LYS 5462Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 1mx9 h LYS 5462Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1mx9 h LYS 5462CO 0.64 0.00 -0.06 1.79 -2.00 0.00 0.00 179.45 179.82 1mx9 h THR 5463N 0.00 0.13 -3.20 0.07 1.35 -2.04 -3.44 112.91 105.79 1mx9 h THR 5463Ca 0.00 -0.75 -0.57 0.00 -0.55 0.00 0.00 66.41 64.53 1mx9 h THR 5463Cb 0.36 1.66 -0.06 0.00 -1.73 0.00 0.00 68.15 68.38 1mx9 h THR 5463CO 0.00 0.06 0.61 -0.69 -0.25 0.00 0.00 175.52 175.24 1mx9 s VAL 5464N -3.58 4.77 -0.12 6.82 1.01 -0.96 -5.03 120.40 123.31 1mx9 s VAL 5464Ca 0.02 1.92 0.02 0.00 0.00 0.00 0.00 61.98 63.94 1mx9 s VAL 5464Cb 0.09 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1mx9 s VAL 5464CO 0.59 -0.06 -0.17 -0.63 0.00 0.00 0.00 175.10 174.82 1mx9 s ILE 5465N 2.54 1.66 0.00 2.22 1.09 -1.26 -4.70 121.20 122.75 1mx9 s ILE 5465Ca 0.44 -0.74 0.00 0.00 -1.10 0.00 0.00 60.65 59.25 1mx9 s ILE 5465Cb -0.16 -1.50 0.00 0.00 -1.06 0.00 0.00 42.46 39.73 1mx9 s ILE 5465CO 0.12 0.47 0.00 0.61 -0.10 0.00 0.00 174.94 176.04 1mx9 n GLY 5466N 4.18 0.95 3.58 6.18 0.00 -0.80 -3.81 105.19 115.47 1mx9 n GLY 5466Ca -0.19 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 1mx9 n GLY 5466CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 5467N -2.96 1.47 0.17 1.61 2.15 -1.26 0.77 116.67 118.62 1mx9 s ASP 5467Ca 0.00 1.05 -0.31 0.00 0.43 0.00 0.00 52.55 53.72 1mx9 s ASP 5467Cb 0.00 -1.61 -0.10 0.00 -0.30 0.00 0.00 42.92 40.92 1mx9 s ASP 5467CO 0.00 -3.83 1.53 -2.28 -0.17 0.00 0.00 175.17 170.42 1mx9 s HIS 5468N -2.82 3.08 0.00 -5.34 5.04 -1.24 -2.54 115.29 111.46 1mx9 s HIS 5468Ca 0.68 0.72 0.00 0.00 -1.54 0.00 0.00 55.06 54.91 1mx9 s HIS 5468Cb -0.17 -3.88 0.00 0.00 0.04 0.00 0.00 32.58 28.56 1mx9 s HIS 5468CO 0.59 -3.20 0.00 0.41 -2.34 0.00 0.00 174.74 170.19 1mx9 n GLY 5469N 3.53 1.47 0.24 1.59 0.00 -1.26 -4.86 105.19 105.89 1mx9 n GLY 5469Ca 0.13 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.31 1mx9 n GLY 5469CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx9 h ASP 5470N 0.00 0.00 1.19 1.61 3.32 -1.84 -1.96 116.42 118.74 1mx9 h ASP 5470Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1mx9 h ASP 5470Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1mx9 h ASP 5470CO 0.00 0.00 -0.62 1.05 -1.72 0.00 0.00 179.24 177.95 1mx9 h GLU 5471N 0.00 0.00 -0.87 3.56 9.09 -1.91 -3.34 114.58 121.12 1mx9 h GLU 5471Ca 0.00 0.00 0.23 0.00 0.05 0.00 0.00 59.36 59.64 1mx9 h GLU 5471Cb 0.11 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 27.07 1mx9 h GLU 5471CO 0.00 0.62 0.20 -0.07 0.05 0.00 0.00 179.01 179.81 1mx9 h LEU 5472N 0.00 -0.06 -2.31 3.06 3.38 -1.76 0.14 115.31 117.75 1mx9 h LEU 5472Ca -0.01 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1mx9 h LEU 5472Cb 1.39 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 1mx9 h LEU 5472CO 0.08 -0.17 -0.04 -0.26 0.09 0.00 0.00 178.44 178.14 1mx9 h PHE 5473N 0.19 0.00 0.16 1.13 -1.00 -1.77 -1.55 116.94 114.11 1mx9 h PHE 5473Ca 0.54 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.98 1mx9 h PHE 5473Cb 1.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1mx9 h PHE 5473CO -0.29 0.04 -1.68 0.77 -1.61 0.00 0.00 178.31 175.54 1mx9 h SER 5474N 0.00 0.54 0.67 2.17 0.02 -0.98 -1.86 113.55 114.11 1mx9 h SER 5474Ca -0.00 -0.92 -0.03 0.00 -0.84 0.00 0.00 61.79 60.00 1mx9 h SER 5474Cb 0.13 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1mx9 h SER 5474CO 0.01 1.75 -0.16 0.58 -1.14 0.00 0.00 176.83 177.86 1mx9 h VAL 5475N -0.01 0.51 -0.15 2.27 2.07 -0.96 -3.09 116.25 116.89 1mx9 h VAL 5475Ca -0.34 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1mx9 h VAL 5475Cb 2.00 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1mx9 h VAL 5475CO 0.14 0.16 0.00 0.49 0.02 0.00 0.00 177.57 178.38 1mx9 n PHE 5476N -3.46 0.19 -3.30 1.57 3.01 -0.62 -4.78 117.46 110.06 1mx9 n PHE 5476Ca -0.01 -0.29 -0.18 0.00 1.01 0.00 0.00 57.45 57.99 1mx9 n PHE 5476Cb 0.33 -0.02 0.06 0.00 -0.01 0.00 0.00 39.48 39.85 1mx9 n PHE 5476CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 5477N 0.33 -0.19 0.40 1.37 0.00 -1.07 -4.35 105.19 101.68 1mx9 n GLY 5477Ca 0.07 0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.31 1mx9 n GLY 5477CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 h ALA 5478N 0.77 2.24 0.00 4.61 0.00 -1.59 0.51 119.26 125.81 1mx9 h ALA 5478Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1mx9 h ALA 5478Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1mx9 h ALA 5478CO 0.42 -0.52 0.00 -1.35 0.00 0.00 0.00 179.25 177.80 1mx9 h PRO 5479N 0.38 0.00 -0.02 0.00 0.11 -1.82 1.21 132.00 131.86 1mx9 h PRO 5479Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1mx9 h PRO 5479Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1mx9 h PRO 5479CO -0.16 0.00 -0.11 1.19 -0.21 0.00 0.00 178.00 178.70 1mx9 n PHE 5480N -2.42 0.00 0.00 0.65 3.01 0.18 -4.58 117.46 114.30 1mx9 n PHE 5480Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1mx9 n PHE 5480Cb 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 1mx9 n PHE 5480CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mx9 n LEU 5481N 0.81 1.62 -4.91 4.37 4.77 0.10 -4.98 117.00 118.79 1mx9 n LEU 5481Ca 0.11 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.81 1mx9 n LEU 5481Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1mx9 n LEU 5481CO 0.16 0.24 0.31 -0.54 -1.33 0.00 0.00 177.39 176.23 1mx9 s LYS 5482N -1.88 3.60 0.66 3.23 1.02 0.39 -4.24 119.74 122.52 1mx9 s LYS 5482Ca 0.00 0.07 -0.07 0.00 0.02 0.00 0.00 55.97 55.99 1mx9 s LYS 5482Cb 0.00 -2.52 0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1mx9 s LYS 5482CO 0.00 0.03 0.98 -1.21 -0.92 0.00 0.00 175.35 174.23 1mx9 s GLU 5483N -4.12 2.53 -1.37 1.68 2.02 -1.26 -4.62 118.70 113.56 1mx9 s GLU 5483Ca 0.45 -0.10 -0.08 0.00 0.02 0.00 0.00 54.97 55.27 1mx9 s GLU 5483Cb -0.10 -2.20 0.02 0.00 0.10 0.00 0.00 34.13 31.95 1mx9 s GLU 5483CO 0.36 -1.01 1.07 0.41 0.02 0.00 0.00 175.26 176.11 1mx9 n GLY 5484N -2.80 -0.48 3.78 -1.39 0.00 -1.26 -5.02 105.19 98.02 1mx9 n GLY 5484Ca 0.07 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 1mx9 n GLY 5484CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 5485N -3.35 3.67 0.89 4.61 0.00 -1.26 -5.01 121.76 121.31 1mx9 s ALA 5485Ca 0.46 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 1mx9 s ALA 5485Cb -0.21 -2.32 0.13 0.00 0.00 0.00 0.00 23.12 20.71 1mx9 s ALA 5485CO 0.76 0.28 1.09 -1.54 0.00 0.00 0.00 175.76 176.35 1mx9 s SER 5486N -0.19 3.50 0.27 0.00 1.04 -1.26 -4.81 113.70 112.25 1mx9 s SER 5486Ca 0.18 1.50 -0.05 0.00 0.48 0.00 0.00 55.95 58.07 1mx9 s SER 5486Cb -0.14 -2.18 0.32 0.00 0.10 0.00 0.00 66.02 64.12 1mx9 s SER 5486CO 0.06 -2.62 1.94 -0.08 0.98 0.00 0.00 173.24 173.52 1mx9 h GLU 5487N -1.54 1.24 -0.55 4.02 4.57 -1.98 -1.43 114.58 118.92 1mx9 h GLU 5487Ca -0.49 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 57.63 1mx9 h GLU 5487Cb 1.28 -0.28 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 1mx9 h GLU 5487CO 0.54 0.83 0.33 1.49 -1.18 0.00 0.00 179.01 181.03 1mx9 h GLU 5488N 1.28 0.64 -0.62 1.92 4.81 -1.99 0.20 114.58 120.82 1mx9 h GLU 5488Ca 0.34 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1mx9 h GLU 5488Cb -0.14 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.07 1mx9 h GLU 5488CO -0.07 0.42 0.19 1.49 -0.73 0.00 0.00 179.01 180.31 1mx9 h GLU 5489N 0.66 0.97 0.00 1.92 4.81 -1.79 -0.83 114.58 120.32 1mx9 h GLU 5489Ca 0.22 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1mx9 h GLU 5489Cb 0.02 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1mx9 h GLU 5489CO -0.10 0.86 -0.13 0.82 -0.73 0.00 0.00 179.01 179.73 1mx9 h ILE 5490N 0.89 0.65 0.00 2.32 2.04 -0.68 -2.00 117.51 120.73 1mx9 h ILE 5490Ca 0.20 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1mx9 h ILE 5490Cb 0.29 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1mx9 h ILE 5490CO -0.01 0.13 -0.00 0.03 0.00 0.00 0.00 178.15 178.30 1mx9 h ARG 5491N 0.00 -0.00 -0.80 2.37 3.08 -0.21 -3.04 114.38 115.78 1mx9 h ARG 5491Ca -0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 1mx9 h ARG 5491Cb 0.33 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 1mx9 h ARG 5491CO 0.02 0.91 0.54 1.25 -1.07 0.00 0.00 179.97 181.61 1mx9 h LEU 5492N -0.92 0.39 -0.09 3.04 5.85 -0.83 -0.84 115.31 121.91 1mx9 h LEU 5492Ca -0.00 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1mx9 h LEU 5492Cb 0.91 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1mx9 h LEU 5492CO 0.00 0.19 -0.33 -1.28 -0.34 0.00 0.00 178.44 176.67 1mx9 h SER 5493N 0.41 0.45 -0.96 1.25 0.87 -1.46 -1.28 113.55 112.83 1mx9 h SER 5493Ca 0.40 -0.62 0.03 0.00 -1.23 0.00 0.00 61.79 60.36 1mx9 h SER 5493Cb 0.96 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 1mx9 h SER 5493CO -0.13 1.00 0.63 0.11 -0.53 0.00 0.00 176.83 177.90 1mx9 h LYS 5494N -0.07 1.21 -0.03 2.24 1.57 -1.18 -0.59 116.57 119.72 1mx9 h LYS 5494Ca -0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1mx9 h LYS 5494Cb 0.97 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1mx9 h LYS 5494CO 0.07 0.80 -0.03 1.98 -0.57 0.00 0.00 179.45 181.70 1mx9 h MET 5495N 1.24 0.07 -0.27 3.15 4.05 -1.16 -2.13 114.93 119.88 1mx9 h MET 5495Ca 0.37 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.80 1mx9 h MET 5495Cb -0.06 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.71 1mx9 h MET 5495CO -0.10 0.54 0.02 0.28 0.23 0.00 0.00 176.91 177.88 1mx9 h VAL 5496N -0.40 0.83 -0.40 -5.77 2.07 -0.98 0.72 116.25 112.32 1mx9 h VAL 5496Ca 0.00 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1mx9 h VAL 5496Cb 0.53 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1mx9 h VAL 5496CO 0.01 0.02 0.24 0.24 0.02 0.00 0.00 177.57 178.10 1mx9 h MET 5497N 0.11 0.47 -0.64 1.57 2.07 -1.14 0.72 114.93 118.09 1mx9 h MET 5497Ca 0.13 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.71 1mx9 h MET 5497Cb 0.16 -0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 29.75 1mx9 h MET 5497CO -0.20 0.31 0.32 -0.22 1.07 0.00 0.00 176.91 178.19 1mx9 h LYS 5498N 0.48 0.92 -0.59 1.72 3.64 -1.08 0.21 116.57 121.87 1mx9 h LYS 5498Ca 0.16 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1mx9 h LYS 5498Cb -0.00 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1mx9 h LYS 5498CO -0.07 0.72 0.38 0.74 -2.27 0.00 0.00 179.45 178.95 1mx9 h PHE 5499N 0.88 0.71 -0.64 1.91 0.05 -0.25 0.31 116.94 119.91 1mx9 h PHE 5499Ca 0.22 0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.96 1mx9 h PHE 5499Cb 0.10 -0.23 -0.03 0.00 2.00 0.00 0.00 35.95 37.79 1mx9 h PHE 5499CO -0.00 0.42 0.12 -1.49 -0.18 0.00 0.00 178.31 177.18 1mx9 h TRP 5500N 0.75 1.11 -0.24 -0.55 -0.00 -0.37 -2.60 115.95 114.05 1mx9 h TRP 5500Ca 0.23 -0.15 -0.09 0.00 -0.00 0.00 0.00 58.89 58.87 1mx9 h TRP 5500Cb -0.03 -0.31 -0.00 0.00 -0.00 0.00 0.00 29.16 28.82 1mx9 h TRP 5500CO -0.04 0.94 -0.22 0.00 -0.00 0.00 0.00 178.44 179.12 1mx9 h ALA 5501N 1.04 0.35 -0.51 1.49 0.00 0.00 0.35 119.26 121.98 1mx9 h ALA 5501Ca 0.19 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1mx9 h ALA 5501Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1mx9 h ALA 5501CO 0.01 0.30 0.34 -0.91 0.00 0.00 0.00 179.25 178.99 1mx9 h ASN 5502N 0.27 0.40 -0.10 0.00 2.35 -0.38 -0.27 115.58 117.85 1mx9 h ASN 5502Ca 0.04 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.56 1mx9 h ASN 5502Cb 0.76 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 39.06 1mx9 h ASN 5502CO 0.05 0.26 -0.83 0.15 -1.65 0.00 0.00 177.43 175.42 1mx9 h PHE 5503N 0.45 1.02 -0.09 1.19 3.57 -1.20 -1.88 116.94 120.01 1mx9 h PHE 5503Ca 0.22 -0.49 0.02 0.00 3.53 0.00 0.00 57.97 61.26 1mx9 h PHE 5503Cb 0.30 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1mx9 h PHE 5503CO -0.00 1.32 0.10 0.00 -2.23 0.00 0.00 178.31 177.50 1mx9 h ALA 5504N 0.49 1.64 0.00 2.41 0.00 0.80 -0.71 119.26 123.89 1mx9 h ALA 5504Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1mx9 h ALA 5504Cb 1.47 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1mx9 h ALA 5504CO 0.17 -0.14 -0.18 2.89 0.00 0.00 0.00 179.25 181.99 1mx9 n ARG 5505N -3.80 1.14 0.00 0.00 1.85 -0.69 -4.79 116.66 110.38 1mx9 n ARG 5505Ca -0.01 -2.50 0.00 0.00 -1.00 0.00 0.00 57.85 54.34 1mx9 n ARG 5505Cb 0.20 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 1mx9 n ARG 5505CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1mx9 n ASN 5506N -1.16 0.00 0.00 2.89 3.02 -0.72 -4.97 115.26 114.33 1mx9 n ASN 5506Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1mx9 n ASN 5506Cb 0.67 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 1mx9 n ASN 5506CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx9 n GLY 5507N -0.06 0.81 2.80 7.41 0.00 -0.31 -4.98 105.19 110.86 1mx9 n GLY 5507Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1mx9 n GLY 5507CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mx9 s ASN 5508N -2.65 1.15 0.23 1.61 3.84 -1.26 -4.88 114.94 112.99 1mx9 s ASN 5508Ca 0.00 -0.07 0.26 0.00 0.21 0.00 0.00 52.86 53.26 1mx9 s ASN 5508Cb 0.00 -0.37 0.79 0.00 -0.55 0.00 0.00 41.25 41.12 1mx9 s ASN 5508CO 0.00 -0.15 1.76 1.55 -2.79 0.00 0.00 177.10 177.48 1mx9 h PRO 5509N 7.84 0.00 -7.03 0.43 0.13 -1.79 -3.07 132.00 128.50 1mx9 h PRO 5509Ca -0.28 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.30 1mx9 h PRO 5509Cb 1.13 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.39 1mx9 h PRO 5509CO 0.35 0.00 0.61 -0.80 -0.23 0.00 0.00 178.00 177.93 1mx9 s ASN 5510N -4.65 5.47 0.04 1.44 0.01 -1.26 -4.55 114.94 111.43 1mx9 s ASN 5510Ca 0.10 2.75 -0.28 0.00 -0.71 0.00 0.00 52.86 54.72 1mx9 s ASN 5510Cb 0.12 -2.64 0.09 0.00 0.41 0.00 0.00 41.25 39.23 1mx9 s ASN 5510CO 0.59 -1.44 1.03 -0.83 -1.51 0.00 0.00 177.10 174.94 1mx9 s GLY 5511N -0.90 -0.34 0.09 0.66 0.00 -1.26 -4.95 107.32 100.62 1mx9 s GLY 5511Ca 0.69 0.64 -0.32 0.00 0.00 0.00 0.00 44.72 45.73 1mx9 s GLY 5511CO 0.48 0.17 1.84 -2.21 0.00 0.00 0.00 173.10 173.39 1mx9 n GLU 5512N -0.37 2.69 -0.52 2.90 2.13 -1.26 -2.55 120.64 123.66 1mx9 n GLU 5512Ca -0.07 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1mx9 n GLU 5512Cb 0.61 -2.87 0.00 0.00 0.27 0.00 0.00 31.44 29.45 1mx9 n GLU 5512CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mx9 n GLY 5513N 4.23 0.74 3.08 8.31 0.00 -1.26 -5.08 105.19 115.21 1mx9 n GLY 5513Ca 0.19 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 1mx9 n GLY 5513CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mx9 s LEU 5514N 0.00 2.07 0.86 0.99 1.43 -1.06 -5.08 118.68 117.89 1mx9 s LEU 5514Ca 0.00 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1mx9 s LEU 5514Cb 0.00 -0.57 0.04 0.00 0.03 0.00 0.00 46.19 45.70 1mx9 s LEU 5514CO 0.00 0.10 0.71 -0.81 0.23 0.00 0.00 176.35 176.58 1mx9 n PRO 5515N 2.53 -0.07 -2.71 1.29 -0.04 -1.26 -4.82 135.00 129.92 1mx9 n PRO 5515Ca -0.15 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.93 1mx9 n PRO 5515Cb 0.56 -2.05 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 1mx9 n PRO 5515CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1mx9 s HIS 5516N -2.25 3.72 -0.32 0.54 2.46 -1.26 -4.90 115.29 113.28 1mx9 s HIS 5516Ca 0.64 1.74 -0.07 0.00 0.47 0.00 0.00 55.06 57.84 1mx9 s HIS 5516Cb -0.26 -3.10 0.03 0.00 -0.13 0.00 0.00 32.58 29.11 1mx9 s HIS 5516CO 0.60 0.06 0.10 -0.46 -2.47 0.00 0.00 174.74 172.57 1mx9 s TRP 5517N 0.53 3.21 0.46 3.88 -0.11 -1.26 -4.01 118.94 121.64 1mx9 s TRP 5517Ca 0.50 -1.22 -0.21 0.00 1.22 0.00 0.00 56.10 56.39 1mx9 s TRP 5517Cb -0.22 -2.27 -0.09 0.00 -1.50 0.00 0.00 33.47 29.38 1mx9 s TRP 5517CO 0.29 -0.66 1.02 -1.25 -4.62 0.00 0.00 176.95 171.72 1mx9 s PRO 5518N 1.45 3.95 0.33 5.86 0.04 -1.26 -4.85 135.00 140.52 1mx9 s PRO 5518Ca 0.00 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.08 1mx9 s PRO 5518Cb -0.18 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 1mx9 s PRO 5518CO 0.03 -0.30 1.18 -2.00 0.04 0.00 0.00 177.00 175.95 1mx9 s GLU 5519N -3.14 4.37 -1.04 4.56 2.12 -1.26 -4.59 118.70 119.72 1mx9 s GLU 5519Ca 0.65 1.93 -0.23 0.00 0.36 0.00 0.00 54.97 57.69 1mx9 s GLU 5519Cb -0.15 -2.99 0.05 0.00 0.26 0.00 0.00 34.13 31.31 1mx9 s GLU 5519CO 0.19 -0.07 1.47 -0.47 -0.54 0.00 0.00 175.26 175.83 1mx9 s TYR 5520N -1.24 2.56 0.00 5.30 5.04 0.69 -4.36 117.35 125.34 1mx9 s TYR 5520Ca 0.50 -0.92 0.00 0.00 -2.44 0.00 0.00 57.07 54.21 1mx9 s TYR 5520Cb -0.34 -4.70 0.00 0.00 0.35 0.00 0.00 41.96 37.27 1mx9 s TYR 5520CO 0.44 -1.92 0.00 0.27 -1.34 0.00 0.00 175.55 173.00 1mx9 n ASN 5521N 8.81 0.32 0.24 4.32 0.23 -1.26 -4.56 115.26 123.36 1mx9 n ASN 5521Ca 0.34 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.54 1mx9 n ASN 5521Cb 0.51 0.00 0.79 0.00 -2.08 0.00 0.00 39.78 39.00 1mx9 n ASN 5521CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1mx9 h GLN 5522N 0.00 0.00 0.00 -3.83 1.08 -1.99 0.21 115.11 110.58 1mx9 h GLN 5522Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1mx9 h GLN 5522Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1mx9 h GLN 5522CO 0.00 0.00 -0.30 1.63 -0.95 0.00 0.00 178.83 179.21 1mx9 n LYS 5523N -2.57 0.26 -3.47 1.46 5.02 -1.26 -4.93 118.16 112.66 1mx9 n LYS 5523Ca -0.02 0.14 -0.24 0.00 -2.02 0.00 0.00 58.31 56.18 1mx9 n LYS 5523Cb 0.13 -1.73 0.07 0.00 -0.02 0.00 0.00 35.03 33.48 1mx9 n LYS 5523CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mx9 n GLU 5524N -2.15 -7.33 -2.51 1.97 1.02 0.73 -3.85 120.64 108.53 1mx9 n GLU 5524Ca 0.05 0.85 -0.41 0.00 -0.02 0.00 0.00 57.16 57.63 1mx9 n GLU 5524Cb 0.43 -5.87 -0.04 0.00 -0.02 0.00 0.00 31.44 25.94 1mx9 n GLU 5524CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx9 s GLY 5525N -3.18 2.85 0.08 0.62 0.00 -1.26 -1.28 107.32 105.15 1mx9 s GLY 5525Ca 0.53 0.82 -0.06 0.00 0.00 0.00 0.00 44.72 46.01 1mx9 s GLY 5525CO 0.65 1.66 0.11 -2.52 0.00 0.00 0.00 173.10 173.00 1mx9 s TYR 5526N -0.26 0.32 -0.09 1.90 -0.85 0.21 -3.83 117.35 114.75 1mx9 s TYR 5526Ca 0.49 -0.78 -0.12 0.00 -0.52 0.00 0.00 57.07 56.14 1mx9 s TYR 5526Cb -0.30 -0.19 -0.05 0.00 0.38 0.00 0.00 41.96 41.81 1mx9 s TYR 5526CO 0.35 -0.49 0.28 -1.17 -1.52 0.00 0.00 175.55 172.99 1mx9 s LEU 5527N -2.89 4.38 -0.46 -3.49 2.96 -0.74 -0.90 118.68 117.54 1mx9 s LEU 5527Ca 0.07 0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 54.50 1mx9 s LEU 5527Cb 0.06 -2.34 0.08 0.00 0.50 0.00 0.00 46.19 44.49 1mx9 s LEU 5527CO -0.10 0.30 0.36 -1.10 -1.32 0.00 0.00 176.35 174.49 1mx9 s GLN 5528N -0.64 2.87 -0.05 1.98 -0.21 -0.97 -1.81 119.66 120.84 1mx9 s GLN 5528Ca 0.18 -1.39 -0.15 0.00 0.02 0.00 0.00 55.36 54.03 1mx9 s GLN 5528Cb -0.14 -4.04 -0.05 0.00 1.00 0.00 0.00 33.01 29.78 1mx9 s GLN 5528CO 0.07 -1.02 0.39 0.42 -2.12 0.00 0.00 175.29 173.03 1mx9 s ILE 5529N 1.58 5.12 -2.30 1.08 1.01 -0.81 -2.69 121.20 124.18 1mx9 s ILE 5529Ca 0.04 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1mx9 s ILE 5529Cb -0.24 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1mx9 s ILE 5529CO 0.05 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1mx9 n GLY 5530N 2.24 -0.65 0.31 6.18 0.00 -1.26 -0.42 105.19 111.58 1mx9 n GLY 5530Ca -0.13 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 1mx9 n GLY 5530CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 h ALA 5531N 0.00 -0.57 -2.94 4.61 0.00 -1.95 -3.38 119.26 115.04 1mx9 h ALA 5531Ca 0.00 -0.09 -0.65 0.00 0.00 0.00 0.00 54.91 54.17 1mx9 h ALA 5531Cb 0.00 0.39 -0.22 0.00 0.00 0.00 0.00 17.79 17.96 1mx9 h ALA 5531CO 0.00 -0.85 -0.61 -0.80 0.00 0.00 0.00 179.25 176.99 1mx9 s ASN 5532N -4.71 5.25 -0.15 0.00 0.02 -1.26 -5.02 114.94 109.06 1mx9 s ASN 5532Ca -0.16 -0.22 -0.04 0.00 -1.02 0.00 0.00 52.86 51.42 1mx9 s ASN 5532Cb 0.06 -1.95 -0.03 0.00 0.02 0.00 0.00 41.25 39.36 1mx9 s ASN 5532CO 0.64 -0.05 -0.02 -0.89 0.02 0.00 0.00 177.10 176.80 1mx9 s THR 5533N 1.63 4.02 -0.19 1.60 2.01 -1.26 -4.75 115.64 118.70 1mx9 s THR 5533Ca 0.06 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 1mx9 s THR 5533Cb -0.15 -2.76 0.14 0.00 0.01 0.00 0.00 72.50 69.74 1mx9 s THR 5533CO 0.04 0.50 1.12 0.00 -0.69 0.00 0.00 174.62 175.59 1mx9 s GLN 5534N 0.26 0.43 1.02 4.92 0.00 -1.09 -4.89 119.66 120.30 1mx9 s GLN 5534Ca -0.02 0.04 -0.13 0.00 -0.00 0.00 0.00 55.36 55.25 1mx9 s GLN 5534Cb -0.14 0.20 0.14 0.00 0.00 0.00 0.00 33.01 33.21 1mx9 s GLN 5534CO 0.03 -0.15 0.71 0.00 0.00 0.00 0.00 175.29 175.88 1mx9 n ALA 5535N 0.48 -2.36 -3.84 2.60 0.00 -1.26 -2.29 120.51 113.85 1mx9 n ALA 5535Ca -0.06 -0.83 -0.06 0.00 0.00 0.00 0.00 53.44 52.49 1mx9 n ALA 5535Cb 0.59 -1.93 0.02 0.00 0.00 0.00 0.00 19.45 18.13 1mx9 n ALA 5535CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mx9 s ALA 5536N -2.45 -1.20 0.08 0.00 0.00 -0.08 -4.82 121.76 113.29 1mx9 s ALA 5536Ca 0.63 -0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 1mx9 s ALA 5536Cb -0.21 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 1mx9 s ALA 5536CO 0.64 -1.03 -0.03 -0.65 0.00 0.00 0.00 175.76 174.69 1mx9 s GLN 5537N -2.32 0.72 -1.46 0.00 -0.21 -1.26 -0.62 119.66 114.50 1mx9 s GLN 5537Ca 0.18 -1.28 -0.10 0.00 0.02 0.00 0.00 55.36 54.18 1mx9 s GLN 5537Cb -0.04 0.08 0.05 0.00 1.00 0.00 0.00 33.01 34.10 1mx9 s GLN 5537CO 0.08 -0.10 0.89 1.63 -2.12 0.00 0.00 175.29 175.67 1mx9 n LYS 5538N 0.03 -5.79 -1.56 2.91 4.76 -0.40 -4.88 118.16 113.24 1mx9 n LYS 5538Ca -0.12 0.71 -0.55 0.00 -2.87 0.00 0.00 58.31 55.48 1mx9 n LYS 5538Cb 0.61 -5.62 -0.07 0.00 -1.84 0.00 0.00 35.03 28.11 1mx9 n LYS 5538CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1mx9 n LEU 5539N -4.51 1.03 -2.05 -0.35 7.94 -1.26 -0.18 117.00 117.62 1mx9 n LEU 5539Ca -0.01 1.13 -0.09 0.00 -1.11 0.00 0.00 56.01 55.94 1mx9 n LEU 5539Cb 0.56 -1.08 -0.02 0.00 0.53 0.00 0.00 43.42 43.41 1mx9 n LEU 5539CO 0.63 -1.36 -0.10 0.29 -1.11 0.00 0.00 177.39 175.75 1mx9 n LYS 5540N 2.23 -2.02 0.11 1.96 4.76 -1.26 -4.86 118.16 119.08 1mx9 n LYS 5540Ca 0.19 0.46 -0.13 0.00 -2.87 0.00 0.00 58.31 55.96 1mx9 n LYS 5540Cb 0.14 -4.89 -0.06 0.00 -1.84 0.00 0.00 35.03 28.39 1mx9 n LYS 5540CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1mx9 h ASP 5541N 0.00 -0.86 -0.25 4.39 -0.00 -0.94 -0.96 116.42 117.80 1mx9 h ASP 5541Ca -0.20 0.10 -0.07 0.00 -0.00 0.00 0.00 57.03 56.86 1mx9 h ASP 5541Cb 0.96 0.33 -0.02 0.00 -0.00 0.00 0.00 39.33 40.60 1mx9 h ASP 5541CO 0.25 -0.39 -0.08 0.11 -0.00 0.00 0.00 179.24 179.13 1mx9 h LYS 5542N -0.51 0.63 0.72 0.28 1.57 -1.89 -2.66 116.57 114.71 1mx9 h LYS 5542Ca 0.03 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1mx9 h LYS 5542Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1mx9 h LYS 5542CO -0.18 0.70 -0.37 0.93 -0.57 0.00 0.00 179.45 179.96 1mx9 h GLU 5543N 0.58 -0.97 -1.13 3.15 3.07 -1.88 0.64 114.58 118.04 1mx9 h GLU 5543Ca 0.11 0.07 0.32 0.00 -0.50 0.00 0.00 59.36 59.35 1mx9 h GLU 5543Cb 0.49 0.22 -0.08 0.00 -0.84 0.00 0.00 28.75 28.54 1mx9 h GLU 5543CO 0.03 -0.65 0.76 0.28 -1.40 0.00 0.00 179.01 178.03 1mx9 h VAL 5544N -1.00 0.43 0.35 3.13 2.07 -1.09 -0.48 116.25 119.65 1mx9 h VAL 5544Ca -0.10 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1mx9 h VAL 5544Cb 0.78 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1mx9 h VAL 5544CO 0.14 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 177.61 1mx9 h ALA 5545N 1.54 -0.47 -0.82 1.67 0.00 -0.98 -2.22 119.26 117.98 1mx9 h ALA 5545Ca 0.61 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.53 1mx9 h ALA 5545Cb 1.91 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.83 1mx9 h ALA 5545CO -0.21 -0.46 0.54 0.35 0.00 0.00 0.00 179.25 179.47 1mx9 h PHE 5546N -1.06 0.62 0.21 0.00 3.57 0.26 -2.81 116.94 117.73 1mx9 h PHE 5546Ca -0.05 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.19 1mx9 h PHE 5546Cb 0.45 -0.20 0.03 0.00 2.79 0.00 0.00 35.95 39.02 1mx9 h PHE 5546CO 0.02 0.23 -1.27 -1.49 -2.23 0.00 0.00 178.31 173.57 1mx9 h TRP 5547N 0.52 0.80 -0.50 0.41 4.06 -1.21 -2.83 115.95 117.21 1mx9 h TRP 5547Ca 0.41 -0.58 0.05 0.00 2.06 0.00 0.00 58.89 60.83 1mx9 h TRP 5547Cb 0.83 -0.03 -0.05 0.00 -1.00 0.00 0.00 29.16 28.91 1mx9 h TRP 5547CO -0.00 1.49 0.23 1.15 -3.56 0.00 0.00 178.44 177.75 1mx9 h THR 5548N -0.06 0.92 0.58 1.49 2.02 -1.18 0.21 112.91 116.89 1mx9 h THR 5548Ca -0.23 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1mx9 h THR 5548Cb 1.97 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1mx9 h THR 5548CO 0.22 0.08 -0.28 -1.13 0.37 0.00 0.00 175.52 174.78 1mx9 h ASN 5549N 0.45 -0.66 -1.01 4.18 -1.24 -1.62 -3.04 115.58 112.64 1mx9 h ASN 5549Ca 0.22 0.02 0.28 0.00 0.71 0.00 0.00 56.30 57.53 1mx9 h ASN 5549Cb 0.17 0.17 -0.13 0.00 0.73 0.00 0.00 38.32 39.26 1mx9 h ASN 5549CO -0.18 -0.38 0.60 0.25 -1.29 0.00 0.00 177.43 176.43 1mx9 h LEU 5550N -0.95 0.60 -0.32 0.34 5.85 -1.46 0.58 115.31 119.95 1mx9 h LEU 5550Ca -0.08 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1mx9 h LEU 5550Cb 0.59 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1mx9 h LEU 5550CO 0.13 0.02 0.00 0.49 -0.34 0.00 0.00 178.44 178.74 1mx9 n PHE 5551N -4.92 0.34 -0.99 1.25 0.99 0.05 -2.32 117.46 111.86 1mx9 n PHE 5551Ca 0.29 0.14 0.01 0.00 -0.00 0.00 0.00 57.45 57.88 1mx9 n PHE 5551Cb 0.84 -0.72 0.34 0.00 -1.00 0.00 0.00 39.48 38.95 1mx9 n PHE 5551CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1mx9 n ALA 5552N -1.61 4.12 0.90 4.37 0.00 0.20 -5.08 120.51 123.41 1mx9 n ALA 5552Ca 0.03 -2.19 0.11 0.00 0.00 0.00 0.00 53.44 51.39 1mx9 n ALA 5552Cb 0.18 -1.13 0.09 0.00 0.00 0.00 0.00 19.45 18.59 1mx9 n ALA 5552CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13