#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx5 s SER 4022N 0.00 7.04 -0.09 -3.46 0.15 -1.26 -4.92 113.70 111.16 1mx5 s SER 4022Ca 0.00 1.30 -0.15 0.00 0.70 0.00 0.00 55.95 57.80 1mx5 s SER 4022Cb 0.00 -2.52 -0.07 0.00 -1.71 0.00 0.00 66.02 61.72 1mx5 s SER 4022CO 0.00 -0.63 0.47 -2.65 1.20 0.00 0.00 173.24 171.63 1mx5 n PRO 4023N 6.23 0.00 -1.95 5.44 -0.02 -1.26 -4.78 135.00 138.66 1mx5 n PRO 4023Ca 0.10 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.16 1mx5 n PRO 4023Cb 0.46 -0.52 -0.03 0.00 -0.02 0.00 0.00 33.50 33.39 1mx5 n PRO 4023CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1mx5 s PRO 4024N 0.52 4.22 -0.12 0.52 0.02 -1.25 -4.85 135.00 134.06 1mx5 s PRO 4024Ca 0.34 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.71 1mx5 s PRO 4024Cb -0.48 -3.37 0.01 0.00 0.02 0.00 0.00 34.50 30.67 1mx5 s PRO 4024CO 0.24 -0.65 -0.22 0.08 -0.33 0.00 0.00 177.00 176.12 1mx5 s VAL 4025N 1.85 2.00 0.00 3.83 1.01 -1.26 -0.50 120.40 127.32 1mx5 s VAL 4025Ca 0.71 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1mx5 s VAL 4025Cb -0.41 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1mx5 s VAL 4025CO 0.31 0.54 -0.25 -0.69 0.00 0.00 0.00 175.10 175.02 1mx5 s VAL 4026N 0.65 1.95 -0.42 2.92 1.01 -0.42 -4.97 120.40 121.12 1mx5 s VAL 4026Ca -0.12 -1.13 -0.18 0.00 0.00 0.00 0.00 61.98 60.56 1mx5 s VAL 4026Cb -0.16 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1mx5 s VAL 4026CO 0.02 0.48 0.47 -0.62 0.00 0.00 0.00 175.10 175.45 1mx5 s ASP 4027N -0.77 6.22 0.54 3.32 -1.08 -1.26 -0.60 116.67 123.04 1mx5 s ASP 4027Ca 0.10 -0.58 0.08 0.00 -0.52 0.00 0.00 52.55 51.62 1mx5 s ASP 4027Cb -0.09 -2.24 0.05 0.00 -1.46 0.00 0.00 42.92 39.18 1mx5 s ASP 4027CO -0.00 -0.61 0.58 0.42 0.52 0.00 0.00 175.17 176.08 1mx5 s THR 4028N 2.26 2.00 0.25 1.71 -4.23 -1.08 -4.87 115.64 111.68 1mx5 s THR 4028Ca 0.14 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 1mx5 s THR 4028Cb -0.16 -2.24 0.21 0.00 1.34 0.00 0.00 72.50 71.65 1mx5 s THR 4028CO 0.14 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 176.61 1mx5 h VAL 4029N 0.51 0.88 -0.21 2.29 2.07 -1.95 -2.66 116.25 117.18 1mx5 h VAL 4029Ca -0.34 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1mx5 h VAL 4029Cb 1.29 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1mx5 h VAL 4029CO 0.49 0.14 0.00 1.41 0.02 0.00 0.00 177.57 179.63 1mx5 n HIS 4030N -4.77 0.26 0.00 1.57 8.25 -1.26 -5.00 115.22 114.27 1mx5 n HIS 4030Ca 0.14 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1mx5 n HIS 4030Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1mx5 n HIS 4030CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mx5 n GLY 4031N 1.33 3.98 3.74 -1.41 0.00 -1.00 -0.01 105.19 111.81 1mx5 n GLY 4031Ca 0.17 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 1mx5 n GLY 4031CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx5 s LYS 4032N -2.64 4.46 0.10 1.61 1.02 -1.25 -2.62 119.74 120.42 1mx5 s LYS 4032Ca 0.00 1.93 0.08 0.00 0.02 0.00 0.00 55.97 58.01 1mx5 s LYS 4032Cb 0.00 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1mx5 s LYS 4032CO 0.00 -0.13 -0.17 0.14 -0.92 0.00 0.00 175.35 174.28 1mx5 s VAL 4033N -0.09 2.92 -0.21 3.17 -7.23 0.23 0.76 120.40 119.96 1mx5 s VAL 4033Ca 0.53 -1.40 -0.01 0.00 -1.81 0.00 0.00 61.98 59.29 1mx5 s VAL 4033Cb -0.34 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1mx5 s VAL 4033CO 0.38 0.15 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.98 1mx5 s LEU 4034N -2.02 2.60 0.00 1.32 1.98 0.18 -1.30 118.68 121.44 1mx5 s LEU 4034Ca 0.18 -0.60 0.00 0.00 -2.89 0.00 0.00 54.13 50.82 1mx5 s LEU 4034Cb -0.11 -1.61 0.00 0.00 0.66 0.00 0.00 46.19 45.14 1mx5 s LEU 4034CO 0.10 -0.03 0.00 0.61 -1.89 0.00 0.00 176.35 175.14 1mx5 n GLY 4035N 4.69 4.00 2.98 7.98 0.00 0.34 -1.11 105.19 124.07 1mx5 n GLY 4035Ca -0.19 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 1mx5 n GLY 4035CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx5 s LYS 4036N 0.64 0.33 -0.07 1.61 -2.85 -0.65 -3.91 119.74 114.85 1mx5 s LYS 4036Ca 0.00 -0.45 -0.21 0.00 -1.00 0.00 0.00 55.97 54.31 1mx5 s LYS 4036Cb 0.00 -0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.60 1mx5 s LYS 4036CO 0.00 0.02 0.60 -0.06 0.10 0.00 0.00 175.35 176.01 1mx5 s PHE 4037N -0.90 3.59 -0.06 1.78 2.99 -1.26 -1.44 117.98 122.67 1mx5 s PHE 4037Ca -0.08 1.12 0.01 0.00 0.00 0.00 0.00 56.93 57.99 1mx5 s PHE 4037Cb -0.07 -2.67 0.02 0.00 0.00 0.00 0.00 43.02 40.30 1mx5 s PHE 4037CO -0.00 0.18 -0.07 0.08 -0.00 0.00 0.00 175.22 175.41 1mx5 s VAL 4038N 0.48 0.77 -0.16 -0.44 1.01 -0.30 -4.95 120.40 116.81 1mx5 s VAL 4038Ca 0.32 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1mx5 s VAL 4038Cb -0.17 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1mx5 s VAL 4038CO 0.15 0.29 0.06 -0.44 0.00 0.00 0.00 175.10 175.16 1mx5 s SER 4039N 1.00 5.68 -0.20 3.32 0.01 -1.26 0.20 113.70 122.45 1mx5 s SER 4039Ca -0.09 0.14 -0.16 0.00 1.31 0.00 0.00 55.95 57.15 1mx5 s SER 4039Cb -0.14 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1mx5 s SER 4039CO -0.00 0.23 0.43 -0.22 0.41 0.00 0.00 173.24 174.09 1mx5 s LEU 4040N 0.00 4.16 -0.02 2.44 2.96 -1.26 -4.94 118.68 122.01 1mx5 s LEU 4040Ca 0.06 0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 54.51 1mx5 s LEU 4040Cb -0.12 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.00 1mx5 s LEU 4040CO 0.01 -0.10 0.09 1.21 -1.32 0.00 0.00 176.35 176.24 1mx5 n GLU 4041N 4.51 0.00 0.00 1.98 4.07 -1.26 -0.32 120.64 129.62 1mx5 n GLU 4041Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 1mx5 n GLU 4041Cb 0.51 -0.07 0.00 0.00 -0.06 0.00 0.00 31.44 31.82 1mx5 n GLU 4041CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1mx5 n GLY 4042N 0.28 3.04 3.68 8.31 0.00 -1.26 -5.04 105.19 114.21 1mx5 n GLY 4042Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1mx5 n GLY 4042CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mx5 s PHE 4043N -2.31 3.43 -0.00 1.61 0.40 0.57 -4.96 117.98 116.72 1mx5 s PHE 4043Ca 0.00 0.94 -0.23 0.00 -0.60 0.00 0.00 56.93 57.04 1mx5 s PHE 4043Cb 0.00 -2.73 -0.18 0.00 0.51 0.00 0.00 43.02 40.62 1mx5 s PHE 4043CO 0.00 -0.05 1.25 0.00 0.70 0.00 0.00 175.22 177.12 1mx5 h ALA 4044N 7.21 0.11 -2.14 5.36 0.00 -1.96 -3.40 119.26 124.44 1mx5 h ALA 4044Ca -0.35 -0.33 -0.56 0.00 0.00 0.00 0.00 54.91 53.66 1mx5 h ALA 4044Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1mx5 h ALA 4044CO 0.76 -0.01 1.33 -1.14 0.00 0.00 0.00 179.25 180.19 1mx5 s GLN 4045N -4.01 3.63 0.38 0.00 2.00 -1.26 -4.96 119.66 115.44 1mx5 s GLN 4045Ca -0.15 2.20 -0.23 0.00 -2.00 0.00 0.00 55.36 55.17 1mx5 s GLN 4045Cb 0.03 -4.24 -0.10 0.00 0.80 0.00 0.00 33.01 29.50 1mx5 s GLN 4045CO 0.73 -1.53 0.95 -1.25 -0.50 0.00 0.00 175.29 173.69 1mx5 s PRO 4046N 5.35 4.38 -0.17 1.67 0.04 -1.26 -4.78 135.00 140.23 1mx5 s PRO 4046Ca 0.91 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 1mx5 s PRO 4046Cb -0.35 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 1mx5 s PRO 4046CO 0.37 0.10 0.56 0.08 0.04 0.00 0.00 177.00 178.15 1mx5 s VAL 4047N -1.92 5.09 -0.33 -0.36 1.01 0.13 -4.76 120.40 119.25 1mx5 s VAL 4047Ca 0.57 1.07 -0.26 0.00 0.00 0.00 0.00 61.98 63.36 1mx5 s VAL 4047Cb -0.13 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1mx5 s VAL 4047CO 0.18 0.19 0.92 0.00 0.00 0.00 0.00 175.10 176.38 1mx5 s ALA 4048N 1.48 3.47 -0.09 5.51 0.00 -0.11 -1.15 121.76 130.87 1mx5 s ALA 4048Ca 0.27 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1mx5 s ALA 4048Cb -0.16 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1mx5 s ALA 4048CO 0.11 -1.43 -0.14 0.42 0.00 0.00 0.00 175.76 174.71 1mx5 s ILE 4049N 3.34 3.01 -0.15 0.00 1.01 -0.52 -1.27 121.20 126.61 1mx5 s ILE 4049Ca 0.38 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1mx5 s ILE 4049Cb -0.13 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.16 1mx5 s ILE 4049CO 0.16 0.56 -0.10 -0.36 0.00 0.00 0.00 174.94 175.19 1mx5 s PHE 4050N -0.22 1.95 -0.12 3.97 0.40 -0.34 -1.64 117.98 121.99 1mx5 s PHE 4050Ca 0.01 -1.14 -0.05 0.00 -0.60 0.00 0.00 56.93 55.15 1mx5 s PHE 4050Cb -0.13 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1mx5 s PHE 4050CO 0.03 -0.63 0.08 -0.51 0.70 0.00 0.00 175.22 174.89 1mx5 s LEU 4051N 1.55 4.01 -0.89 -0.37 1.43 -0.58 -0.59 118.68 123.25 1mx5 s LEU 4051Ca 0.03 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1mx5 s LEU 4051Cb -0.14 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1mx5 s LEU 4051CO -0.09 0.35 0.75 0.61 0.23 0.00 0.00 176.35 178.20 1mx5 n GLY 4052N 2.34 -0.32 3.66 -3.19 0.00 -1.24 -3.83 105.19 102.61 1mx5 n GLY 4052Ca -0.19 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1mx5 n GLY 4052CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx5 s ILE 4053N -3.28 5.08 0.20 -0.61 1.01 -0.67 -4.82 121.20 118.10 1mx5 s ILE 4053Ca 0.10 1.03 -0.30 0.00 0.00 0.00 0.00 60.65 61.49 1mx5 s ILE 4053Cb -0.01 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.50 1mx5 s ILE 4053CO 0.56 0.16 1.23 -2.16 0.00 0.00 0.00 174.94 174.73 1mx5 s PRO 4054N 1.71 4.46 0.00 2.79 0.04 -1.26 -1.59 135.00 141.15 1mx5 s PRO 4054Ca 0.26 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1mx5 s PRO 4054Cb -0.16 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 1mx5 s PRO 4054CO 0.10 -0.12 0.06 1.97 0.04 0.00 0.00 177.00 179.04 1mx5 n PHE 4055N 2.41 0.00 -3.92 0.56 1.16 -1.12 -4.96 117.46 111.60 1mx5 n PHE 4055Ca 0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.54 1mx5 n PHE 4055Cb 0.44 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.23 1mx5 n PHE 4055CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mx5 s ALA 4056N -0.92 -0.02 0.25 1.98 0.00 -1.25 -4.24 121.76 117.56 1mx5 s ALA 4056Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 1mx5 s ALA 4056Cb 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 23.12 23.46 1mx5 s ALA 4056CO 0.01 -0.47 1.18 0.21 0.00 0.00 0.00 175.76 176.69 1mx5 s LYS 4057N -3.88 4.53 -0.02 0.00 2.20 0.29 -4.55 119.74 118.31 1mx5 s LYS 4057Ca 0.05 1.91 -0.36 0.00 -0.36 0.00 0.00 55.97 57.22 1mx5 s LYS 4057Cb 0.06 -3.19 -0.14 0.00 -1.51 0.00 0.00 37.83 33.05 1mx5 s LYS 4057CO -0.11 0.02 1.63 -2.30 -0.36 0.00 0.00 175.35 174.23 1mx5 n PRO 4058N 1.63 1.66 -1.53 4.03 -0.02 -1.26 -4.57 135.00 134.94 1mx5 n PRO 4058Ca 0.01 0.61 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 1mx5 n PRO 4058Cb 0.44 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1mx5 n PRO 4058CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1mx5 n PRO 4059N 4.45 3.45 -3.63 0.52 -0.04 -1.26 -4.92 135.00 133.57 1mx5 n PRO 4059Ca 0.21 -2.45 -0.20 0.00 -0.04 0.00 0.00 63.50 61.02 1mx5 n PRO 4059Cb 0.23 -2.97 -0.02 0.00 -0.04 0.00 0.00 33.50 30.70 1mx5 n PRO 4059CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx5 s LEU 4060N 0.76 3.90 0.00 1.53 1.43 -1.26 -3.87 118.68 121.17 1mx5 s LEU 4060Ca 0.60 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1mx5 s LEU 4060Cb 0.16 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1mx5 s LEU 4060CO -0.07 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.76 1mx5 n GLY 4061N -1.53 3.09 0.23 -3.19 0.00 -1.26 -1.01 105.19 101.52 1mx5 n GLY 4061Ca -0.02 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1mx5 n GLY 4061CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mx5 h PRO 4062N 0.00 0.00 -0.00 1.61 0.13 -1.93 -2.21 132.00 129.59 1mx5 h PRO 4062Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1mx5 h PRO 4062Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1mx5 h PRO 4062CO 0.00 0.00 -0.00 1.28 -0.23 0.00 0.00 178.00 179.05 1mx5 n LEU 4063N -2.56 0.07 -4.75 1.56 4.77 -0.18 -4.81 117.00 111.11 1mx5 n LEU 4063Ca -0.02 0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.62 1mx5 n LEU 4063Cb 0.05 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1mx5 n LEU 4063CO 0.13 0.01 0.73 -0.60 -1.33 0.00 0.00 177.39 176.34 1mx5 s ARG 4064N -2.18 4.72 -1.09 3.23 3.52 -0.83 -3.28 118.95 123.04 1mx5 s ARG 4064Ca 0.41 1.65 -0.06 0.00 -0.13 0.00 0.00 55.73 57.60 1mx5 s ARG 4064Cb 0.21 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1mx5 s ARG 4064CO 0.40 0.31 0.85 1.19 -0.81 0.00 0.00 175.30 177.24 1mx5 n PHE 4065N 1.56 -2.14 -3.91 5.12 3.72 -1.26 -5.00 117.46 115.54 1mx5 n PHE 4065Ca -0.01 0.73 -0.09 0.00 -0.05 0.00 0.00 57.45 58.03 1mx5 n PHE 4065Cb 0.46 -4.10 -0.09 0.00 -0.94 0.00 0.00 39.48 34.81 1mx5 n PHE 4065CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1mx5 s THR 4066N -3.21 0.14 0.51 4.37 -4.23 -1.20 -4.86 115.64 107.14 1mx5 s THR 4066Ca 0.42 -1.13 -0.23 0.00 -1.18 0.00 0.00 61.69 59.58 1mx5 s THR 4066Cb -0.19 -1.02 -0.07 0.00 1.34 0.00 0.00 72.50 72.56 1mx5 s THR 4066CO 0.52 -0.62 1.28 -2.65 -0.54 0.00 0.00 174.62 172.61 1mx5 n PRO 4067N 0.56 1.69 -1.77 3.99 -0.02 -1.26 -4.90 135.00 133.29 1mx5 n PRO 4067Ca -0.18 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 1mx5 n PRO 4067Cb 0.59 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1mx5 n PRO 4067CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mx5 s PRO 4068N -2.61 4.10 0.08 0.52 0.04 -1.26 -5.00 135.00 130.86 1mx5 s PRO 4068Ca 0.68 2.60 0.03 0.00 0.04 0.00 0.00 61.00 64.35 1mx5 s PRO 4068Cb -0.45 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1mx5 s PRO 4068CO 0.52 -0.60 0.05 -0.65 0.04 0.00 0.00 177.00 176.36 1mx5 s GLN 4069N -1.37 2.78 0.56 4.56 -0.21 -1.26 -4.97 119.66 119.75 1mx5 s GLN 4069Ca 0.58 -0.72 -0.19 0.00 0.02 0.00 0.00 55.36 55.05 1mx5 s GLN 4069Cb -0.48 -2.67 -0.07 0.00 1.00 0.00 0.00 33.01 30.79 1mx5 s GLN 4069CO 0.57 0.56 0.76 -2.30 -2.12 0.00 0.00 175.29 172.77 1mx5 n PRO 4070N 0.57 0.77 -2.73 2.91 -0.02 -1.26 0.10 135.00 135.34 1mx5 n PRO 4070Ca -0.10 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 1mx5 n PRO 4070Cb 0.52 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 1mx5 n PRO 4070CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mx5 s ALA 4071N -1.57 3.00 0.22 3.55 0.00 -1.26 -3.61 121.76 122.10 1mx5 s ALA 4071Ca 0.71 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 1mx5 s ALA 4071Cb -0.45 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 1mx5 s ALA 4071CO 0.52 0.00 0.99 -1.21 0.00 0.00 0.00 175.76 176.06 1mx5 s GLU 4072N -3.24 4.77 0.54 0.00 0.41 -1.26 -4.93 118.70 114.99 1mx5 s GLU 4072Ca 0.63 1.56 -0.20 0.00 -0.41 0.00 0.00 54.97 56.55 1mx5 s GLU 4072Cb -0.11 -3.28 -0.06 0.00 -1.78 0.00 0.00 34.13 28.91 1mx5 s GLU 4072CO 0.16 0.38 1.18 -1.25 -0.49 0.00 0.00 175.26 175.24 1mx5 s PRO 4073N -1.00 3.33 0.08 0.39 0.04 -1.26 -5.00 135.00 131.58 1mx5 s PRO 4073Ca 0.43 1.77 0.09 0.00 0.04 0.00 0.00 61.00 63.33 1mx5 s PRO 4073Cb -0.27 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1mx5 s PRO 4073CO 0.34 -0.90 -0.24 1.67 0.04 0.00 0.00 177.00 177.90 1mx5 s TRP 4074N -1.62 2.09 0.51 0.56 -2.14 0.98 -5.03 118.94 114.30 1mx5 s TRP 4074Ca 0.72 -0.40 -0.11 0.00 2.66 0.00 0.00 56.10 58.97 1mx5 s TRP 4074Cb -0.28 -1.20 -0.05 0.00 -3.10 0.00 0.00 33.47 28.83 1mx5 s TRP 4074CO 0.32 0.19 0.90 -1.12 -2.66 0.00 0.00 176.95 174.58 1mx5 s SER 4075N -1.57 6.39 0.90 -2.66 0.01 -1.26 -4.47 113.70 111.04 1mx5 s SER 4075Ca 0.10 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1mx5 s SER 4075Cb -0.10 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1mx5 s SER 4075CO 0.03 -0.63 0.00 0.49 0.41 0.00 0.00 173.24 173.55 1mx5 n PHE 4076N -2.04 -0.97 -3.77 2.43 0.99 -1.26 -4.72 117.46 108.12 1mx5 n PHE 4076Ca 0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.14 1mx5 n PHE 4076Cb 0.54 0.19 -0.08 0.00 -1.00 0.00 0.00 39.48 39.12 1mx5 n PHE 4076CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1mx5 s VAL 4077N 0.00 5.28 -0.16 -4.37 1.01 -1.26 -3.94 120.40 116.96 1mx5 s VAL 4077Ca 0.00 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 1mx5 s VAL 4077Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1mx5 s VAL 4077CO 0.00 0.43 0.56 -0.75 0.00 0.00 0.00 175.10 175.34 1mx5 s LYS 4078N 0.44 4.27 -0.58 2.72 2.20 0.23 -4.91 119.74 124.11 1mx5 s LYS 4078Ca 0.07 0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 55.93 1mx5 s LYS 4078Cb -0.12 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1mx5 s LYS 4078CO -0.01 -0.06 1.43 1.21 -0.36 0.00 0.00 175.35 177.57 1mx5 s ASN 4079N 0.97 6.07 -0.90 1.43 2.47 -1.26 0.51 114.94 124.22 1mx5 s ASN 4079Ca 0.27 0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.77 1mx5 s ASN 4079Cb -0.16 -2.55 0.30 0.00 -1.45 0.00 0.00 41.25 37.40 1mx5 s ASN 4079CO 0.11 -1.77 1.31 0.00 -3.72 0.00 0.00 177.10 173.03 1mx5 n ALA 4080N 9.76 5.03 -1.51 1.71 0.00 -0.27 -4.68 120.51 130.55 1mx5 n ALA 4080Ca 0.12 -4.75 0.05 0.00 0.00 0.00 0.00 53.44 48.86 1mx5 n ALA 4080Cb 0.49 -1.77 0.07 0.00 0.00 0.00 0.00 19.45 18.24 1mx5 n ALA 4080CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mx5 n THR 4081N 0.74 0.93 -4.38 0.00 -2.24 -1.25 -1.52 114.28 106.56 1mx5 n THR 4081Ca 0.32 -1.12 -0.20 0.00 -2.27 0.00 0.00 64.05 60.78 1mx5 n THR 4081Cb 0.34 0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 68.56 1mx5 n THR 4081CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1mx5 s SER 4082N -1.91 1.18 0.29 3.42 0.01 -1.26 -4.90 113.70 110.54 1mx5 s SER 4082Ca 0.16 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.94 1mx5 s SER 4082Cb 0.14 -0.30 -0.11 0.00 0.21 0.00 0.00 66.02 65.96 1mx5 s SER 4082CO 0.01 0.07 1.54 -0.31 0.41 0.00 0.00 173.24 174.97 1mx5 s TYR 4083N 0.15 2.81 0.79 2.43 2.02 -1.26 -3.71 117.35 120.57 1mx5 s TYR 4083Ca -0.02 0.88 -0.12 0.00 -0.37 0.00 0.00 57.07 57.44 1mx5 s TYR 4083Cb -0.08 -4.00 0.07 0.00 -0.40 0.00 0.00 41.96 37.55 1mx5 s TYR 4083CO 0.00 -3.30 1.13 -1.25 -1.57 0.00 0.00 175.55 170.56 1mx5 s PRO 4084N -0.59 2.15 0.65 -1.71 0.04 -1.26 -4.92 135.00 129.36 1mx5 s PRO 4084Ca 0.61 0.38 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 1mx5 s PRO 4084Cb -0.46 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 1mx5 s PRO 4084CO 0.48 -1.52 1.12 -2.14 0.04 0.00 0.00 177.00 174.98 1mx5 s PRO 4085N -5.35 2.81 0.18 0.56 0.02 -1.26 -4.75 135.00 127.21 1mx5 s PRO 4085Ca 0.61 1.42 -0.07 0.00 0.02 0.00 0.00 61.00 62.98 1mx5 s PRO 4085Cb -0.12 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.38 1mx5 s PRO 4085CO 0.52 -1.25 0.45 0.00 -0.33 0.00 0.00 177.00 176.39 1mx5 s MET 4086N -4.04 3.70 0.35 5.54 0.23 0.13 -4.69 119.30 120.52 1mx5 s MET 4086Ca 0.68 0.07 -0.28 0.00 -1.03 0.00 0.00 55.69 55.13 1mx5 s MET 4086Cb -0.21 -2.76 -0.12 0.00 -1.53 0.00 0.00 34.83 30.21 1mx5 s MET 4086CO 0.41 0.40 1.35 0.00 -2.03 0.00 0.00 175.02 175.14 1mx5 n THR 4088N 0.39 0.48 -3.84 0.00 -1.04 -1.13 -4.75 114.28 104.38 1mx5 n THR 4088Ca 0.04 -0.12 -0.05 0.00 -2.04 0.00 0.00 64.05 61.88 1mx5 n THR 4088Cb 0.37 -0.20 0.02 0.00 -1.82 0.00 0.00 70.33 68.69 1mx5 n THR 4088CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mx5 s GLN 4089N -0.17 1.62 -0.23 -2.82 -2.07 -1.26 -4.69 119.66 110.04 1mx5 s GLN 4089Ca 0.83 -1.02 -0.28 0.00 -1.82 0.00 0.00 55.36 53.06 1mx5 s GLN 4089Cb -1.12 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 31.22 1mx5 s GLN 4089CO 0.55 -0.76 2.07 0.34 -1.32 0.00 0.00 175.29 176.17 1mx5 s ASP 4090N -3.23 5.68 0.31 12.60 -1.08 -1.26 -4.83 116.67 124.86 1mx5 s ASP 4090Ca 0.18 1.79 0.02 0.00 -0.52 0.00 0.00 52.55 54.03 1mx5 s ASP 4090Cb -0.03 -2.52 0.59 0.00 -1.46 0.00 0.00 42.92 39.49 1mx5 s ASP 4090CO 0.07 -1.79 1.90 1.55 0.52 0.00 0.00 175.17 177.42 1mx5 h PRO 4091N 13.96 0.93 0.63 4.34 0.13 -1.98 0.23 132.00 150.25 1mx5 h PRO 4091Ca -0.39 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1mx5 h PRO 4091Cb 1.22 -0.21 0.01 0.00 0.13 0.00 0.00 31.00 32.14 1mx5 h PRO 4091CO 0.98 0.62 -0.30 -0.22 -0.23 0.00 0.00 178.00 178.84 1mx5 h LYS 4092N 0.96 -0.82 -0.95 0.86 3.64 -1.99 -0.83 116.57 117.44 1mx5 h LYS 4092Ca 0.40 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1mx5 h LYS 4092Cb 0.29 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1mx5 h LYS 4092CO -0.16 -0.51 0.58 0.00 -2.27 0.00 0.00 179.45 177.09 1mx5 h ALA 4093N -1.00 1.21 -0.42 5.00 0.00 -1.93 -1.06 119.26 121.06 1mx5 h ALA 4093Ca -0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1mx5 h ALA 4093Cb 0.69 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1mx5 h ALA 4093CO 0.14 0.66 0.07 0.78 0.00 0.00 0.00 179.25 180.90 1mx5 h GLY 4094N 1.31 0.68 0.73 0.00 0.00 -0.57 -1.16 103.07 104.06 1mx5 h GLY 4094Ca 0.34 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 1mx5 h GLY 4094CO -0.06 0.36 -0.32 -1.61 0.00 0.00 0.00 176.54 174.90 1mx5 h GLN 4095N 0.61 0.38 0.18 4.80 4.15 -0.59 -2.79 115.11 121.86 1mx5 h GLN 4095Ca 0.14 -0.29 0.01 0.00 0.77 0.00 0.00 58.65 59.28 1mx5 h GLN 4095Cb 0.29 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 1mx5 h GLN 4095CO 0.00 0.91 -0.28 1.25 -1.93 0.00 0.00 178.83 178.79 1mx5 h LEU 4096N -0.07 -0.78 -1.24 -2.39 5.85 -0.96 -1.78 115.31 113.94 1mx5 h LEU 4096Ca -0.01 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1mx5 h LEU 4096Cb 0.96 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 1mx5 h LEU 4096CO 0.07 -0.38 0.55 0.25 -0.34 0.00 0.00 178.44 178.59 1mx5 h LEU 4097N -0.53 0.79 -0.56 2.25 5.85 -1.31 -0.71 115.31 121.09 1mx5 h LEU 4097Ca 0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1mx5 h LEU 4097Cb 0.53 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1mx5 h LEU 4097CO -0.12 0.49 0.32 -1.28 -0.34 0.00 0.00 178.44 177.51 1mx5 h SER 4098N 0.89 0.69 -0.62 1.25 0.87 -1.12 -0.72 113.55 114.79 1mx5 h SER 4098Ca 0.38 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.79 1mx5 h SER 4098Cb 0.30 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1mx5 h SER 4098CO -0.14 0.57 0.13 -0.33 -0.53 0.00 0.00 176.83 176.52 1mx5 h GLU 4099N 0.76 1.02 -0.11 2.24 5.08 -0.40 -0.09 114.58 123.08 1mx5 h GLU 4099Ca 0.20 -0.25 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1mx5 h GLU 4099Cb 0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1mx5 h GLU 4099CO -0.03 0.92 -0.65 -0.07 -1.00 0.00 0.00 179.01 178.18 1mx5 h LEU 4100N 0.97 0.48 0.00 1.33 3.38 -0.79 -3.35 115.31 117.33 1mx5 h LEU 4100Ca 0.20 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1mx5 h LEU 4100Cb 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1mx5 h LEU 4100CO 0.01 1.00 -1.62 0.49 0.09 0.00 0.00 178.44 178.40 1mx5 n PHE 4101N -3.88 0.18 -1.71 1.13 3.01 -0.31 -4.95 117.46 110.92 1mx5 n PHE 4101Ca -0.04 0.05 -0.39 0.00 1.01 0.00 0.00 57.45 58.09 1mx5 n PHE 4101Cb 0.66 -0.50 0.04 0.00 -0.01 0.00 0.00 39.48 39.67 1mx5 n PHE 4101CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1mx5 n THR 4102N -2.20 3.79 0.56 4.37 5.66 -0.06 -4.87 114.28 121.54 1mx5 n THR 4102Ca -0.02 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.54 1mx5 n THR 4102Cb 0.52 -1.54 -0.01 0.00 -1.55 0.00 0.00 70.33 67.75 1mx5 n THR 4102CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1mx5 n ASN 4103N -0.91 1.35 -4.88 1.09 6.94 -1.25 -4.97 115.26 112.63 1mx5 n ASN 4103Ca 0.11 -1.17 -0.32 0.00 -0.02 0.00 0.00 54.58 53.18 1mx5 n ASN 4103Cb 0.45 0.50 -0.05 0.00 -2.36 0.00 0.00 39.78 38.31 1mx5 n ASN 4103CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mx5 s ARG 4104N -1.62 3.75 0.12 -3.83 1.70 -1.26 -4.18 118.95 113.63 1mx5 s ARG 4104Ca 0.10 0.17 -0.20 0.00 -0.47 0.00 0.00 55.73 55.33 1mx5 s ARG 4104Cb 0.10 -2.70 -0.05 0.00 -0.57 0.00 0.00 34.95 31.73 1mx5 s ARG 4104CO 0.33 0.35 1.73 1.57 -1.08 0.00 0.00 175.30 178.20 1mx5 h LYS 4105N 2.57 0.07 -4.93 3.89 2.10 -1.94 -3.40 116.57 114.93 1mx5 h LYS 4105Ca -0.47 -0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.52 1mx5 h LYS 4105Cb 1.17 -0.02 -0.17 0.00 -0.90 0.00 0.00 32.23 32.31 1mx5 h LYS 4105CO 0.70 0.05 -0.32 -1.83 -2.00 0.00 0.00 179.45 176.05 1mx5 s GLU 4106N -6.19 3.59 -0.08 0.07 -1.05 -1.26 -5.04 118.70 108.75 1mx5 s GLU 4106Ca -0.13 -0.41 -0.30 0.00 -0.15 0.00 0.00 54.97 53.98 1mx5 s GLU 4106Cb 0.09 -3.79 -0.04 0.00 -0.44 0.00 0.00 34.13 29.95 1mx5 s GLU 4106CO 0.68 -0.49 1.40 1.21 0.95 0.00 0.00 175.26 179.01 1mx5 s ASN 4107N 1.73 6.86 0.25 0.83 3.84 -1.26 -4.98 114.94 122.20 1mx5 s ASN 4107Ca 0.11 1.97 -0.30 0.00 0.21 0.00 0.00 52.86 54.85 1mx5 s ASN 4107Cb -0.17 -2.55 -0.09 0.00 -0.55 0.00 0.00 41.25 37.90 1mx5 s ASN 4107CO 0.11 -0.78 1.08 -0.63 -2.79 0.00 0.00 177.10 174.10 1mx5 s ILE 4108N 3.20 3.67 0.17 -5.21 -1.09 -1.26 -5.02 121.20 115.65 1mx5 s ILE 4108Ca 0.62 1.60 -0.30 0.00 -2.23 0.00 0.00 60.65 60.35 1mx5 s ILE 4108Cb -0.28 -4.02 -0.07 0.00 -1.58 0.00 0.00 42.46 36.51 1mx5 s ILE 4108CO 0.23 0.35 0.94 -2.16 -1.23 0.00 0.00 174.94 173.07 1mx5 s PRO 4109N -1.11 4.77 0.24 2.79 0.04 -1.26 -5.04 135.00 135.43 1mx5 s PRO 4109Ca 0.45 1.46 0.10 0.00 0.04 0.00 0.00 61.00 63.05 1mx5 s PRO 4109Cb -0.30 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1mx5 s PRO 4109CO 0.38 0.36 -0.08 -0.51 0.04 0.00 0.00 177.00 177.19 1mx5 s LEU 4110N -0.56 2.98 0.09 -3.56 1.43 -1.26 -5.11 118.68 112.69 1mx5 s LEU 4110Ca 0.44 -0.71 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1mx5 s LEU 4110Cb -0.24 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1mx5 s LEU 4110CO 0.31 0.04 -0.14 -1.59 0.23 0.00 0.00 176.35 175.20 1mx5 s LYS 4111N -3.36 2.01 0.11 1.70 -2.85 -1.26 -4.95 119.74 111.13 1mx5 s LYS 4111Ca 0.29 -1.06 -0.06 0.00 -1.00 0.00 0.00 55.97 54.13 1mx5 s LYS 4111Cb -0.07 -2.22 -0.06 0.00 -2.06 0.00 0.00 37.83 33.43 1mx5 s LYS 4111CO 0.17 0.51 0.37 -0.51 0.10 0.00 0.00 175.35 175.99 1mx5 s LEU 4112N -2.00 4.30 -0.18 2.77 1.43 -1.26 0.22 118.68 123.96 1mx5 s LEU 4112Ca 0.19 0.64 -0.31 0.00 -1.03 0.00 0.00 54.13 53.62 1mx5 s LEU 4112Cb -0.11 -3.14 0.14 0.00 0.03 0.00 0.00 46.19 43.12 1mx5 s LEU 4112CO 0.10 0.11 1.11 -0.55 0.23 0.00 0.00 176.35 177.36 1mx5 s SER 4113N -2.15 -0.24 0.40 2.29 0.15 -0.96 -4.88 113.70 108.31 1mx5 s SER 4113Ca 0.37 0.19 0.22 0.00 0.70 0.00 0.00 55.95 57.43 1mx5 s SER 4113Cb -0.13 0.21 0.40 0.00 -1.71 0.00 0.00 66.02 64.80 1mx5 s SER 4113CO 0.22 -0.28 1.61 -0.33 1.20 0.00 0.00 173.24 175.66 1mx5 h GLU 4114N 2.27 0.00 -5.77 5.44 5.08 -1.95 -3.00 114.58 116.64 1mx5 h GLU 4114Ca -0.14 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.57 1mx5 h GLU 4114Cb 1.18 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.32 1mx5 h GLU 4114CO 0.27 0.16 1.65 0.34 -1.00 0.00 0.00 179.01 180.43 1mx5 s ASP 4115N -6.24 6.68 0.00 1.42 -1.08 -1.26 -4.43 116.67 111.77 1mx5 s ASP 4115Ca 0.05 -2.00 0.00 0.00 -0.52 0.00 0.00 52.55 50.08 1mx5 s ASP 4115Cb 0.07 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1mx5 s ASP 4115CO 0.68 -1.27 0.40 0.00 0.52 0.00 0.00 175.17 175.50 1mx5 n LEU 4117N -0.01 6.51 -4.45 0.00 4.77 -1.26 -4.65 117.00 117.91 1mx5 n LEU 4117Ca 0.00 -4.03 -0.22 0.00 -0.03 0.00 0.00 56.01 51.72 1mx5 n LEU 4117Cb 0.44 -1.63 -0.10 0.00 -2.33 0.00 0.00 43.42 39.80 1mx5 n LEU 4117CO 0.00 0.92 -0.38 -0.31 -1.33 0.00 0.00 177.39 176.29 1mx5 s TYR 4118N 3.45 2.06 -0.01 -1.77 1.51 -1.26 -2.77 117.35 118.55 1mx5 s TYR 4118Ca 0.48 -0.63 -0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1mx5 s TYR 4118Cb 0.13 -1.15 -0.00 0.00 -0.11 0.00 0.00 41.96 40.83 1mx5 s TYR 4118CO -0.06 0.37 0.09 -0.48 -1.11 0.00 0.00 175.55 174.37 1mx5 s LEU 4119N -3.48 1.71 -0.10 -1.29 0.05 -0.62 -2.56 118.68 112.40 1mx5 s LEU 4119Ca 0.30 -0.13 -0.03 0.00 0.05 0.00 0.00 54.13 54.31 1mx5 s LEU 4119Cb 0.03 0.45 -0.03 0.00 -2.05 0.00 0.00 46.19 44.59 1mx5 s LEU 4119CO 0.13 -0.25 0.03 0.20 -0.55 0.00 0.00 176.35 175.91 1mx5 s ASN 4120N -0.94 5.43 -0.03 1.48 0.01 0.01 -1.67 114.94 119.22 1mx5 s ASN 4120Ca -0.10 0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.27 1mx5 s ASN 4120Cb -0.06 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.97 1mx5 s ASN 4120CO 0.01 0.37 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.20 1mx5 s ILE 4121N -0.81 3.15 -0.20 0.60 1.01 0.24 -1.35 121.20 123.84 1mx5 s ILE 4121Ca 0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1mx5 s ILE 4121Cb -0.12 -2.27 0.06 0.00 0.01 0.00 0.00 42.46 40.15 1mx5 s ILE 4121CO 0.02 0.54 0.01 -0.31 0.00 0.00 0.00 174.94 175.21 1mx5 s TYR 4122N -0.79 1.40 -0.12 3.97 1.51 0.38 -1.20 117.35 122.51 1mx5 s TYR 4122Ca 0.13 -1.09 0.01 0.00 -1.01 0.00 0.00 57.07 55.10 1mx5 s TYR 4122Cb -0.11 -1.18 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 1mx5 s TYR 4122CO 0.02 -0.65 -0.15 -0.08 -1.11 0.00 0.00 175.55 173.58 1mx5 s THR 4123N 1.73 1.53 -0.52 -0.71 -1.32 -0.39 -0.73 115.64 115.22 1mx5 s THR 4123Ca -0.02 -0.64 0.24 0.00 -1.21 0.00 0.00 61.69 60.06 1mx5 s THR 4123Cb -0.17 -1.41 0.32 0.00 -1.51 0.00 0.00 72.50 69.73 1mx5 s THR 4123CO -0.07 0.45 1.65 1.55 -2.21 0.00 0.00 174.62 175.99 1mx5 h PRO 4124N 7.64 0.00 -6.89 7.08 0.13 -1.81 -0.27 132.00 137.87 1mx5 h PRO 4124Ca -0.33 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.23 1mx5 h PRO 4124Cb 1.16 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.45 1mx5 h PRO 4124CO 0.50 0.00 0.20 0.00 -0.23 0.00 0.00 178.00 178.47 1mx5 n ALA 4125N -2.01 0.37 -2.68 -0.56 0.00 -1.26 -4.84 120.51 109.52 1mx5 n ALA 4125Ca 0.04 -0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1mx5 n ALA 4125Cb 0.50 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 1mx5 n ALA 4125CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mx5 s ASP 4126N -1.29 6.30 0.40 0.00 2.15 -1.26 -4.79 116.67 118.18 1mx5 s ASP 4126Ca 0.78 -0.46 0.28 0.00 0.43 0.00 0.00 52.55 53.58 1mx5 s ASP 4126Cb -0.41 -2.45 1.40 0.00 -0.30 0.00 0.00 42.92 41.17 1mx5 s ASP 4126CO 0.45 -1.32 1.85 -0.07 -0.17 0.00 0.00 175.17 175.91 1mx5 h LEU 4127N 11.22 0.00 -0.92 -1.34 3.38 -1.94 -2.54 115.31 123.17 1mx5 h LEU 4127Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1mx5 h LEU 4127Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1mx5 h LEU 4127CO 1.12 0.00 0.00 0.71 0.09 0.00 0.00 178.44 180.36 1mx5 h THR 4128N 0.00 0.00 -1.84 0.22 1.35 -2.00 -3.44 112.91 107.20 1mx5 h THR 4128Ca 0.00 -0.37 -0.59 0.00 -0.55 0.00 0.00 66.41 64.90 1mx5 h THR 4128Cb 0.14 1.22 -0.13 0.00 -1.73 0.00 0.00 68.15 67.64 1mx5 h THR 4128CO 0.00 0.00 -0.58 -0.54 -0.25 0.00 0.00 175.52 174.15 1mx5 s LYS 4129N -3.43 1.91 -0.13 4.72 1.02 -0.96 -5.12 119.74 117.76 1mx5 s LYS 4129Ca 0.04 -2.11 -0.20 0.00 0.02 0.00 0.00 55.97 53.71 1mx5 s LYS 4129Cb 0.09 -1.34 -0.04 0.00 -0.52 0.00 0.00 37.83 36.03 1mx5 s LYS 4129CO 0.47 -0.17 0.58 0.15 -0.92 0.00 0.00 175.35 175.45 1mx5 s LYS 4130N -3.79 4.32 0.12 1.68 1.02 -1.26 -4.85 119.74 116.98 1mx5 s LYS 4130Ca 0.30 0.61 0.06 0.00 0.02 0.00 0.00 55.97 56.95 1mx5 s LYS 4130Cb 0.08 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1mx5 s LYS 4130CO 0.15 0.01 -0.13 -0.80 -0.92 0.00 0.00 175.35 173.65 1mx5 s ASN 4131N 0.86 1.93 -0.38 2.83 0.01 -1.26 -5.07 114.94 113.86 1mx5 s ASN 4131Ca 0.30 -0.84 0.11 0.00 -0.71 0.00 0.00 52.86 51.72 1mx5 s ASN 4131Cb -0.16 -0.06 0.32 0.00 0.41 0.00 0.00 41.25 41.76 1mx5 s ASN 4131CO 0.12 -0.18 0.67 0.54 -1.51 0.00 0.00 177.10 176.75 1mx5 n ARG 4132N 0.44 0.93 -2.61 -0.60 1.74 -1.21 -3.75 116.66 111.60 1mx5 n ARG 4132Ca -0.15 -3.36 -0.33 0.00 -0.77 0.00 0.00 57.85 53.24 1mx5 n ARG 4132Cb 0.57 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.39 1mx5 n ARG 4132CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mx5 s LEU 4133N -2.08 3.84 0.49 0.55 1.43 -0.50 -4.27 118.68 118.13 1mx5 s LEU 4133Ca 0.39 1.78 -0.23 0.00 -1.03 0.00 0.00 54.13 55.03 1mx5 s LEU 4133Cb 0.30 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.91 1mx5 s LEU 4133CO -0.09 -0.60 1.34 -2.16 0.23 0.00 0.00 176.35 175.07 1mx5 s PRO 4134N -3.36 3.49 -0.12 1.29 0.04 -1.26 -1.42 135.00 133.66 1mx5 s PRO 4134Ca 0.64 2.21 -0.03 0.00 0.04 0.00 0.00 61.00 63.86 1mx5 s PRO 4134Cb -0.12 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1mx5 s PRO 4134CO 0.19 -0.90 -0.00 0.08 0.04 0.00 0.00 177.00 176.41 1mx5 s VAL 4135N -1.30 4.25 -0.24 -0.36 1.01 -0.43 -1.03 120.40 122.30 1mx5 s VAL 4135Ca 0.65 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.41 1mx5 s VAL 4135Cb -0.39 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1mx5 s VAL 4135CO 0.48 0.55 -0.10 -0.04 0.00 0.00 0.00 175.10 175.99 1mx5 s MET 4136N -0.32 2.11 -0.31 2.72 -1.94 0.24 -0.26 119.30 121.54 1mx5 s MET 4136Ca 0.07 -1.19 -0.14 0.00 -1.71 0.00 0.00 55.69 52.71 1mx5 s MET 4136Cb -0.12 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 33.93 1mx5 s MET 4136CO 0.02 -0.55 0.32 0.08 -0.01 0.00 0.00 175.02 174.88 1mx5 s VAL 4137N 1.21 5.21 -0.04 -6.03 1.01 0.43 -0.75 120.40 121.43 1mx5 s VAL 4137Ca -0.07 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 1mx5 s VAL 4137Cb -0.19 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1mx5 s VAL 4137CO -0.06 0.04 0.57 0.86 0.00 0.00 0.00 175.10 176.51 1mx5 s TRP 4138N 1.95 3.63 -0.33 5.22 -0.11 0.29 -1.85 118.94 127.73 1mx5 s TRP 4138Ca 0.11 1.12 0.02 0.00 1.22 0.00 0.00 56.10 58.57 1mx5 s TRP 4138Cb -0.16 -2.60 0.09 0.00 -1.50 0.00 0.00 33.47 29.30 1mx5 s TRP 4138CO 0.11 0.29 0.04 0.42 -4.62 0.00 0.00 176.95 173.20 1mx5 s ILE 4139N 0.07 2.47 0.88 5.86 1.01 -0.14 -2.11 121.20 129.24 1mx5 s ILE 4139Ca 0.30 -2.12 -0.11 0.00 0.00 0.00 0.00 60.65 58.72 1mx5 s ILE 4139Cb -0.17 -2.71 0.13 0.00 0.01 0.00 0.00 42.46 39.71 1mx5 s ILE 4139CO 0.15 -0.49 1.16 -1.38 0.00 0.00 0.00 174.94 174.39 1mx5 s HIS 4140N 0.99 1.68 0.10 3.97 -3.43 -1.26 -3.61 115.29 113.73 1mx5 s HIS 4140Ca 0.06 1.76 0.01 0.00 -0.80 0.00 0.00 55.06 56.10 1mx5 s HIS 4140Cb -0.20 -3.37 0.01 0.00 -1.43 0.00 0.00 32.58 27.59 1mx5 s HIS 4140CO -0.06 -2.80 0.11 0.41 -2.00 0.00 0.00 174.74 170.39 1mx5 n GLY 4141N 0.24 2.45 0.00 -1.38 0.00 -1.17 -3.17 105.19 102.16 1mx5 n GLY 4141Ca 0.12 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1mx5 n GLY 4141CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx5 n GLY 4142N 3.81 0.30 2.44 -0.02 0.00 -1.26 -4.48 105.19 105.98 1mx5 n GLY 4142Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1mx5 n GLY 4142CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx5 n GLY 4143N 0.00 1.08 3.31 -0.02 0.00 -1.26 -1.14 105.19 107.16 1mx5 n GLY 4143Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mx5 n GLY 4143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mx5 n LEU 4144N -1.44 0.54 -0.12 0.99 4.77 -1.26 -4.76 117.00 115.72 1mx5 n LEU 4144Ca -0.11 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 1mx5 n LEU 4144Cb 0.50 -0.99 -0.11 0.00 -2.33 0.00 0.00 43.42 40.49 1mx5 n LEU 4144CO 0.17 -0.33 -1.32 0.23 -1.33 0.00 0.00 177.39 174.81 1mx5 n MET 4145N -1.73 0.62 -4.46 3.23 2.81 -0.29 0.56 117.12 117.87 1mx5 n MET 4145Ca 0.00 0.23 -0.24 0.00 -1.81 0.00 0.00 57.70 55.89 1mx5 n MET 4145Cb 0.06 -1.53 -0.08 0.00 -0.71 0.00 0.00 33.22 30.96 1mx5 n MET 4145CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1mx5 s VAL 4146N -2.51 0.52 0.00 2.03 -7.23 -0.41 -4.27 120.40 108.53 1mx5 s VAL 4146Ca -0.36 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 57.81 1mx5 s VAL 4146Cb 0.11 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1mx5 s VAL 4146CO 0.56 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 1mx5 n GLY 4147N -0.83 2.89 3.53 2.32 0.00 -1.26 -4.06 105.19 107.78 1mx5 n GLY 4147Ca -0.03 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 1mx5 n GLY 4147CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 s ALA 4148N -2.16 -1.82 0.14 4.61 0.00 -1.26 -4.59 121.76 116.66 1mx5 s ALA 4148Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1mx5 s ALA 4148Cb 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 1mx5 s ALA 4148CO 0.00 -0.42 1.43 0.00 0.00 0.00 0.00 175.76 176.78 1mx5 h ALA 4149N 2.64 0.51 0.00 0.00 0.00 -1.90 -3.16 119.26 117.35 1mx5 h ALA 4149Ca -0.24 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1mx5 h ALA 4149Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1mx5 h ALA 4149CO 0.35 0.68 0.00 0.43 0.00 0.00 0.00 179.25 180.71 1mx5 n SER 4150N -4.02 0.48 0.12 0.00 7.64 -1.26 -1.59 113.62 114.99 1mx5 n SER 4150Ca -0.04 0.69 0.02 0.00 1.01 0.00 0.00 58.87 60.55 1mx5 n SER 4150Cb 0.61 -0.76 0.36 0.00 -1.01 0.00 0.00 64.21 63.41 1mx5 n SER 4150CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1mx5 h THR 4151N 0.00 1.20 -3.71 0.44 2.02 -1.94 -3.40 112.91 107.52 1mx5 h THR 4151Ca 0.00 -0.91 -0.67 0.00 0.77 0.00 0.00 66.41 65.59 1mx5 h THR 4151Cb 0.11 1.30 -0.19 0.00 -1.74 0.00 0.00 68.15 67.63 1mx5 h THR 4151CO 0.00 0.28 -0.49 -0.31 0.37 0.00 0.00 175.52 175.37 1mx5 s TYR 4152N -4.61 3.22 -0.26 3.16 1.51 -0.62 -3.92 117.35 115.82 1mx5 s TYR 4152Ca -0.05 -0.26 -0.18 0.00 -1.01 0.00 0.00 57.07 55.57 1mx5 s TYR 4152Cb 0.15 -2.45 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 1mx5 s TYR 4152CO 0.74 -0.37 0.51 0.34 -1.11 0.00 0.00 175.55 175.66 1mx5 s ASP 4153N 1.70 6.42 -0.25 2.29 3.68 -1.26 -4.95 116.67 124.30 1mx5 s ASP 4153Ca 0.06 0.50 0.05 0.00 2.13 0.00 0.00 52.55 55.29 1mx5 s ASP 4153Cb -0.17 -2.28 0.49 0.00 -1.45 0.00 0.00 42.92 39.51 1mx5 s ASP 4153CO 0.10 -0.29 1.53 0.61 0.13 0.00 0.00 175.17 177.25 1mx5 n GLY 4154N 4.41 3.28 0.08 2.66 0.00 -1.26 -4.46 105.19 109.90 1mx5 n GLY 4154Ca -0.04 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 1mx5 n GLY 4154CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mx5 h LEU 4155N 1.59 0.13 0.33 0.99 5.85 -1.92 -2.91 115.31 119.36 1mx5 h LEU 4155Ca 0.28 -0.62 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1mx5 h LEU 4155Cb 2.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1mx5 h LEU 4155CO 0.61 0.72 -0.16 0.00 -0.34 0.00 0.00 178.44 179.27 1mx5 h ALA 4156N 0.41 -0.45 -0.65 1.25 0.00 -1.82 -2.43 119.26 115.57 1mx5 h ALA 4156Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1mx5 h ALA 4156Cb 0.71 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1mx5 h ALA 4156CO 0.02 -0.72 0.37 1.25 0.00 0.00 0.00 179.25 180.17 1mx5 h LEU 4157N -0.50 0.78 -0.48 0.00 5.85 -1.78 0.46 115.31 119.63 1mx5 h LEU 4157Ca -0.05 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 1mx5 h LEU 4157Cb 0.38 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1mx5 h LEU 4157CO 0.07 0.61 -0.20 0.00 -0.34 0.00 0.00 178.44 178.59 1mx5 h ALA 4158N 1.52 0.68 0.00 1.25 0.00 -1.46 -2.33 119.26 118.92 1mx5 h ALA 4158Ca 0.23 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1mx5 h ALA 4158Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1mx5 h ALA 4158CO -0.04 0.66 -0.86 0.00 0.00 0.00 0.00 179.25 179.01 1mx5 h ALA 4159N 0.87 0.58 0.00 0.00 0.00 -1.02 -1.69 119.26 118.00 1mx5 h ALA 4159Ca 0.11 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 1mx5 h ALA 4159Cb 0.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1mx5 h ALA 4159CO 0.06 1.04 -0.91 0.45 0.00 0.00 0.00 179.25 179.90 1mx5 h HIS 4160N 0.01 0.00 0.00 0.00 -0.00 -0.90 -3.38 115.15 110.88 1mx5 h HIS 4160Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1mx5 h HIS 4160Cb 1.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.92 1mx5 h HIS 4160CO 0.00 0.33 0.00 0.39 -0.00 0.00 0.00 177.93 178.65 1mx5 n GLU 4161N -2.93 1.51 -3.77 2.45 -0.58 -0.88 -5.00 120.64 111.44 1mx5 n GLU 4161Ca -0.03 -1.04 -0.24 0.00 -0.42 0.00 0.00 57.16 55.44 1mx5 n GLU 4161Cb 0.70 -0.89 0.02 0.00 -0.57 0.00 0.00 31.44 30.70 1mx5 n GLU 4161CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mx5 n ASN 4162N -0.29 -1.50 -4.31 1.62 5.15 -0.64 -4.99 115.26 110.30 1mx5 n ASN 4162Ca 0.00 -0.90 -0.20 0.00 -0.60 0.00 0.00 54.58 52.88 1mx5 n ASN 4162Cb 0.24 -3.67 -0.11 0.00 -0.53 0.00 0.00 39.78 35.71 1mx5 n ASN 4162CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1mx5 s VAL 4163N -3.74 1.67 -0.14 3.44 -7.23 -1.18 -4.60 120.40 108.62 1mx5 s VAL 4163Ca 0.07 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.11 1mx5 s VAL 4163Cb -0.02 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1mx5 s VAL 4163CO 0.84 -0.42 0.45 -0.69 -0.31 0.00 0.00 175.10 174.97 1mx5 s VAL 4164N -2.34 5.19 -0.12 1.32 1.01 -0.20 -4.35 120.40 120.92 1mx5 s VAL 4164Ca 0.16 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 63.00 1mx5 s VAL 4164Cb -0.04 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1mx5 s VAL 4164CO 0.06 0.30 -0.04 -0.69 0.00 0.00 0.00 175.10 174.73 1mx5 s VAL 4165N 0.82 3.88 -0.12 2.92 1.01 0.09 -0.59 120.40 128.41 1mx5 s VAL 4165Ca 0.24 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1mx5 s VAL 4165Cb -0.15 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.61 1mx5 s VAL 4165CO 0.09 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.96 1mx5 s VAL 4166N -0.19 1.09 -0.23 2.92 1.01 0.07 -0.47 120.40 124.60 1mx5 s VAL 4166Ca 0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1mx5 s VAL 4166Cb -0.13 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1mx5 s VAL 4166CO 0.02 0.38 0.06 0.42 0.00 0.00 0.00 175.10 175.98 1mx5 s THR 4167N 1.65 4.32 0.20 3.92 -4.23 -0.46 0.11 115.64 121.16 1mx5 s THR 4167Ca 0.04 -0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.46 1mx5 s THR 4167Cb -0.13 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 1mx5 s THR 4167CO -0.08 0.37 0.01 0.27 -0.54 0.00 0.00 174.62 174.65 1mx5 s ILE 4168N 1.35 3.69 0.34 2.99 -4.36 -0.90 -0.81 121.20 123.50 1mx5 s ILE 4168Ca 0.05 -1.56 0.09 0.00 -0.26 0.00 0.00 60.65 58.97 1mx5 s ILE 4168Cb -0.15 -2.90 -0.05 0.00 1.25 0.00 0.00 42.46 40.61 1mx5 s ILE 4168CO 0.03 -0.20 0.01 -1.10 0.24 0.00 0.00 174.94 173.92 1mx5 s GLN 4169N -3.21 2.07 0.04 0.37 -0.21 -1.06 -4.40 119.66 113.27 1mx5 s GLN 4169Ca 0.29 -1.75 -0.27 0.00 0.02 0.00 0.00 55.36 53.65 1mx5 s GLN 4169Cb -0.08 -1.92 0.07 0.00 1.00 0.00 0.00 33.01 32.07 1mx5 s GLN 4169CO 0.19 0.14 0.62 1.52 -2.12 0.00 0.00 175.29 175.65 1mx5 s TYR 4170N -2.52 -0.57 0.32 0.91 1.13 -1.26 -4.70 117.35 110.65 1mx5 s TYR 4170Ca 0.35 0.72 -0.28 0.00 -1.41 0.00 0.00 57.07 56.44 1mx5 s TYR 4170Cb -0.00 0.45 -0.13 0.00 -1.10 0.00 0.00 41.96 41.18 1mx5 s TYR 4170CO 0.19 -0.70 1.23 0.54 -2.51 0.00 0.00 175.55 174.30 1mx5 n ARG 4171N 0.35 1.93 -4.45 -3.49 1.74 -1.26 -4.83 116.66 106.65 1mx5 n ARG 4171Ca -0.18 0.68 -0.24 0.00 -0.77 0.00 0.00 57.85 57.33 1mx5 n ARG 4171Cb 0.60 -2.21 -0.10 0.00 -1.02 0.00 0.00 32.46 29.73 1mx5 n ARG 4171CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mx5 s LEU 4172N -0.56 2.63 0.00 0.55 1.43 -1.26 -4.22 118.68 117.25 1mx5 s LEU 4172Ca 0.57 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1mx5 s LEU 4172Cb -0.61 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1mx5 s LEU 4172CO 0.60 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.84 1mx5 n GLY 4173N -0.55 2.46 0.37 -3.19 0.00 0.19 -2.08 105.19 102.39 1mx5 n GLY 4173Ca -0.06 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1mx5 n GLY 4173CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mx5 h ILE 4174N 0.00 0.18 -0.75 -0.61 2.04 -1.92 0.57 117.51 117.02 1mx5 h ILE 4174Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1mx5 h ILE 4174Cb 0.00 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.17 1mx5 h ILE 4174CO 0.00 0.00 0.32 -0.50 0.00 0.00 0.00 178.15 177.97 1mx5 h TRP 4175N -0.33 0.56 0.00 1.37 6.55 -1.86 -2.37 115.95 119.87 1mx5 h TRP 4175Ca 0.14 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.01 1mx5 h TRP 4175Cb 0.57 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 1mx5 h TRP 4175CO -0.55 0.12 -1.20 0.41 -1.05 0.00 0.00 178.44 176.17 1mx5 n GLY 4176N -1.32 -1.13 0.32 1.49 0.00 -0.82 -4.40 105.19 99.34 1mx5 n GLY 4176Ca 0.13 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1mx5 n GLY 4176CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mx5 n PHE 4177N -1.92 0.00 -2.33 1.61 3.72 0.19 -0.83 117.46 117.90 1mx5 n PHE 4177Ca 0.01 -0.37 -0.42 0.00 -0.05 0.00 0.00 57.45 56.62 1mx5 n PHE 4177Cb 0.44 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1mx5 n PHE 4177CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1mx5 s PHE 4178N -1.06 2.88 -0.05 1.38 2.19 -0.90 -4.67 117.98 117.75 1mx5 s PHE 4178Ca 0.12 0.94 0.02 0.00 0.33 0.00 0.00 56.93 58.33 1mx5 s PHE 4178Cb 0.10 -3.57 0.02 0.00 -1.31 0.00 0.00 43.02 38.26 1mx5 s PHE 4178CO 0.01 -2.02 -0.08 0.45 1.83 0.00 0.00 175.22 175.42 1mx5 s SER 4179N 1.90 1.25 0.00 6.13 0.15 -1.26 -4.01 113.70 117.86 1mx5 s SER 4179Ca 0.60 -0.19 0.23 0.00 0.70 0.00 0.00 55.95 57.28 1mx5 s SER 4179Cb -0.27 -0.57 0.50 0.00 -1.71 0.00 0.00 66.02 63.97 1mx5 s SER 4179CO 0.22 -0.01 1.44 0.35 1.20 0.00 0.00 173.24 176.45 1mx5 n THR 4180N 3.88 0.59 -1.01 6.45 -2.24 0.04 -4.37 114.28 117.62 1mx5 n THR 4180Ca -0.24 -0.76 -0.00 0.00 -2.27 0.00 0.00 64.05 60.77 1mx5 n THR 4180Cb 0.51 0.80 -0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1mx5 n THR 4180CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx5 n GLY 4181N 1.51 0.28 0.00 3.38 0.00 -1.24 -4.58 105.19 104.53 1mx5 n GLY 4181Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1mx5 n GLY 4181CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx5 n ASP 4182N -0.46 0.00 0.16 1.61 3.85 -1.26 -5.02 116.55 115.43 1mx5 n ASP 4182Ca -0.00 -0.91 0.13 0.00 -0.71 0.00 0.00 54.79 53.30 1mx5 n ASP 4182Cb 0.24 0.00 0.56 0.00 -1.35 0.00 0.00 41.12 40.57 1mx5 n ASP 4182CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1mx5 h GLU 4183N 0.00 0.00 0.00 0.11 9.09 -1.95 -2.46 114.58 119.36 1mx5 h GLU 4183Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1mx5 h GLU 4183Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1mx5 h GLU 4183CO 0.00 0.00 0.00 0.45 0.05 0.00 0.00 179.01 179.51 1mx5 h HIS 4184N 0.00 0.00 -0.38 2.06 3.86 -1.95 -3.39 115.15 115.34 1mx5 h HIS 4184Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1mx5 h HIS 4184Cb 0.33 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.64 1mx5 h HIS 4184CO 0.00 0.00 -0.21 0.45 0.86 0.00 0.00 177.93 179.03 1mx5 s SER 4185N -5.23 -0.55 0.16 2.45 0.15 -1.10 -4.93 113.70 104.65 1mx5 s SER 4185Ca 0.06 -0.62 -0.15 0.00 0.70 0.00 0.00 55.95 55.95 1mx5 s SER 4185Cb 0.09 0.72 0.04 0.00 -1.71 0.00 0.00 66.02 65.16 1mx5 s SER 4185CO 0.57 -0.02 1.80 0.03 1.20 0.00 0.00 173.24 176.81 1mx5 h ARG 4186N 4.55 0.64 0.00 5.44 3.08 -1.66 0.15 114.38 126.57 1mx5 h ARG 4186Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1mx5 h ARG 4186Cb 1.16 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1mx5 h ARG 4186CO -0.08 0.46 0.00 0.41 -1.07 0.00 0.00 179.97 179.69 1mx5 n GLY 4187N -1.12 -0.81 2.41 0.04 0.00 -1.26 -4.59 105.19 99.86 1mx5 n GLY 4187Ca 0.02 -2.21 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 1mx5 n GLY 4187CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mx5 n ASN 4188N 0.00 -4.98 -0.34 1.61 3.02 -1.25 -4.85 115.26 108.46 1mx5 n ASN 4188Ca 0.00 0.11 0.06 0.00 -0.03 0.00 0.00 54.58 54.72 1mx5 n ASN 4188Cb 0.00 -4.21 0.21 0.00 -0.61 0.00 0.00 39.78 35.18 1mx5 n ASN 4188CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1mx5 h TRP 4189N 0.00 1.06 -0.51 3.10 -0.00 -1.32 0.20 115.95 118.48 1mx5 h TRP 4189Ca -0.40 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.51 1mx5 h TRP 4189Cb 1.28 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 30.09 1mx5 h TRP 4189CO 0.61 0.43 0.26 0.78 -0.00 0.00 0.00 178.44 180.51 1mx5 h GLY 4190N 0.94 0.77 1.69 1.49 0.00 -1.23 -1.16 103.07 105.58 1mx5 h GLY 4190Ca 0.47 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 1mx5 h GLY 4190CO -0.26 0.35 -0.12 0.45 0.00 0.00 0.00 176.54 176.96 1mx5 h HIS 4191N 0.67 0.40 -0.13 5.60 3.86 -1.48 -1.81 115.15 122.26 1mx5 h HIS 4191Ca 0.18 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.24 1mx5 h HIS 4191Cb 0.09 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1mx5 h HIS 4191CO -0.01 0.49 -0.34 -0.07 0.86 0.00 0.00 177.93 178.87 1mx5 h LEU 4192N 0.35 0.26 -0.63 2.43 3.38 -0.41 -1.92 115.31 118.77 1mx5 h LEU 4192Ca 0.07 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1mx5 h LEU 4192Cb 0.43 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1mx5 h LEU 4192CO 0.02 0.58 -0.13 0.44 0.09 0.00 0.00 178.44 179.45 1mx5 h ASP 4193N 0.22 0.94 -0.85 -0.43 3.32 -0.44 -0.27 116.42 118.92 1mx5 h ASP 4193Ca 0.03 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1mx5 h ASP 4193Cb 0.71 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1mx5 h ASP 4193CO 0.05 1.07 0.41 1.56 -1.72 0.00 0.00 179.24 180.62 1mx5 h GLN 4194N 0.84 1.22 -0.17 3.56 4.20 -0.86 0.18 115.11 124.07 1mx5 h GLN 4194Ca 0.13 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1mx5 h GLN 4194Cb 0.68 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1mx5 h GLN 4194CO 0.05 0.93 0.01 0.28 -0.67 0.00 0.00 178.83 179.43 1mx5 h VAL 4195N 1.21 1.24 -0.46 -0.54 2.07 -0.99 -1.21 116.25 117.57 1mx5 h VAL 4195Ca 0.29 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 67.09 1mx5 h VAL 4195Cb 0.11 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1mx5 h VAL 4195CO -0.04 0.24 0.09 0.00 0.02 0.00 0.00 177.57 177.88 1mx5 h ALA 4196N 0.79 0.51 -0.64 1.67 0.00 -0.48 0.90 119.26 122.01 1mx5 h ALA 4196Ca 0.05 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1mx5 h ALA 4196Cb 0.35 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1mx5 h ALA 4196CO 0.01 -0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.31 1mx5 h ALA 4197N 1.36 0.85 -0.55 0.00 0.00 -0.40 0.28 119.26 120.80 1mx5 h ALA 4197Ca 0.23 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1mx5 h ALA 4197Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1mx5 h ALA 4197CO -0.30 0.05 0.10 -0.07 0.00 0.00 0.00 179.25 179.04 1mx5 h LEU 4198N 0.68 0.81 -0.59 0.00 3.38 0.03 -1.81 115.31 117.82 1mx5 h LEU 4198Ca 0.28 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1mx5 h LEU 4198Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1mx5 h LEU 4198CO -0.16 0.81 0.19 0.03 0.09 0.00 0.00 178.44 179.40 1mx5 h ARG 4199N 0.82 0.91 -0.76 1.13 3.08 0.12 -1.18 114.38 118.50 1mx5 h ARG 4199Ca 0.18 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1mx5 h ARG 4199Cb 0.34 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 1mx5 h ARG 4199CO 0.00 0.81 0.45 2.35 -1.07 0.00 0.00 179.97 182.52 1mx5 h TRP 4200N 0.83 0.83 -0.13 3.04 7.01 -0.40 -1.51 115.95 125.61 1mx5 h TRP 4200Ca 0.19 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.22 1mx5 h TRP 4200Cb 0.28 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1mx5 h TRP 4200CO 0.02 0.40 0.09 0.28 -2.79 0.00 0.00 178.44 176.44 1mx5 h VAL 4201N 0.82 1.04 -0.70 2.65 2.07 -0.79 0.18 116.25 121.52 1mx5 h VAL 4201Ca 0.34 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.88 1mx5 h VAL 4201Cb 0.19 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1mx5 h VAL 4201CO -0.18 0.04 0.47 1.56 0.02 0.00 0.00 177.57 179.47 1mx5 h GLN 4202N 0.17 0.48 0.00 1.57 1.08 -0.32 0.12 115.11 118.21 1mx5 h GLN 4202Ca 0.05 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1mx5 h GLN 4202Cb -0.01 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1mx5 h GLN 4202CO -0.01 0.32 -0.91 -0.25 -0.95 0.00 0.00 178.83 177.03 1mx5 n ASP 4203N -4.48 0.66 0.00 1.46 8.00 -0.66 -4.68 116.55 116.85 1mx5 n ASP 4203Ca 0.12 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1mx5 n ASP 4203Cb 0.41 0.54 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 1mx5 n ASP 4203CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mx5 n ASN 4204N -2.14 3.21 -0.54 -2.24 3.02 0.56 -4.78 115.26 112.34 1mx5 n ASN 4204Ca 0.02 0.00 0.42 0.00 -0.03 0.00 0.00 54.58 54.99 1mx5 n ASN 4204Cb 0.46 0.04 0.67 0.00 -0.61 0.00 0.00 39.78 40.33 1mx5 n ASN 4204CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mx5 n ILE 4205N -2.23 -0.08 -0.20 2.41 0.13 0.36 -0.48 119.36 119.28 1mx5 n ILE 4205Ca 0.00 1.39 -0.02 0.00 -1.10 0.00 0.00 62.75 63.02 1mx5 n ILE 4205Cb 0.39 -2.29 0.09 0.00 -0.84 0.00 0.00 39.64 36.99 1mx5 n ILE 4205CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1mx5 h ALA 4206N 1.04 0.77 0.00 1.51 0.00 -1.78 0.02 119.26 120.83 1mx5 h ALA 4206Ca 0.80 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.75 1mx5 h ALA 4206Cb 2.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.74 1mx5 h ALA 4206CO -0.15 -0.09 0.01 0.43 0.00 0.00 0.00 179.25 179.45 1mx5 n SER 4207N -4.90 0.00 -0.85 0.00 7.64 0.37 -0.48 113.62 115.40 1mx5 n SER 4207Ca 0.07 0.45 0.03 0.00 1.01 0.00 0.00 58.87 60.43 1mx5 n SER 4207Cb 0.20 -0.45 0.21 0.00 -1.01 0.00 0.00 64.21 63.16 1mx5 n SER 4207CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1mx5 n PHE 4208N -1.45 0.76 -1.22 1.43 3.01 -0.11 -4.82 117.46 115.06 1mx5 n PHE 4208Ca 0.00 -1.28 -0.06 0.00 1.01 0.00 0.00 57.45 57.11 1mx5 n PHE 4208Cb 0.01 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.09 1mx5 n PHE 4208CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx5 n GLY 4209N -1.00 0.85 3.85 1.37 0.00 0.36 -4.77 105.19 105.86 1mx5 n GLY 4209Ca 0.26 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1mx5 n GLY 4209CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mx5 s GLY 4210N -2.93 2.04 -0.54 -0.02 0.00 -0.59 -1.41 107.32 103.86 1mx5 s GLY 4210Ca 0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 44.72 43.59 1mx5 s GLY 4210CO 0.00 -0.95 0.51 0.21 0.00 0.00 0.00 173.10 172.87 1mx5 s ASN 4211N -2.56 6.20 0.00 1.64 2.47 -0.51 -3.31 114.94 118.87 1mx5 s ASN 4211Ca 0.32 -1.80 0.00 0.00 0.42 0.00 0.00 52.86 51.80 1mx5 s ASN 4211Cb -0.12 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1mx5 s ASN 4211CO 0.25 -0.86 0.54 -0.81 -3.72 0.00 0.00 177.10 172.50 1mx5 n PRO 4212N 5.24 0.00 0.00 0.43 -0.04 -1.26 -0.10 135.00 139.27 1mx5 n PRO 4212Ca -0.14 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1mx5 n PRO 4212Cb 0.40 -1.52 0.10 0.00 -0.04 0.00 0.00 33.50 32.44 1mx5 n PRO 4212CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mx5 n GLY 4213N -1.04 -0.46 2.53 0.55 0.00 -1.26 -4.63 105.19 100.88 1mx5 n GLY 4213Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 1mx5 n GLY 4213CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mx5 s SER 4214N -2.64 2.92 -0.13 1.61 0.15 0.86 -4.87 113.70 111.61 1mx5 s SER 4214Ca 0.17 -2.53 0.02 0.00 0.70 0.00 0.00 55.95 54.32 1mx5 s SER 4214Cb 0.18 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1mx5 s SER 4214CO 0.63 -0.26 -0.21 -0.69 1.20 0.00 0.00 173.24 173.90 1mx5 s VAL 4215N 0.60 2.20 -0.15 4.45 1.01 -1.26 -1.32 120.40 125.93 1mx5 s VAL 4215Ca 0.21 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1mx5 s VAL 4215Cb -0.18 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1mx5 s VAL 4215CO -0.04 0.55 -0.13 -0.89 0.00 0.00 0.00 175.10 174.59 1mx5 s THR 4216N 0.66 2.97 -0.15 3.92 2.01 0.65 0.12 115.64 125.82 1mx5 s THR 4216Ca -0.10 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.15 1mx5 s THR 4216Cb -0.16 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1mx5 s THR 4216CO 0.02 0.51 0.09 0.27 -0.69 0.00 0.00 174.62 174.81 1mx5 s ILE 4217N 0.62 5.02 -0.06 1.82 -4.36 -0.94 -0.43 121.20 122.86 1mx5 s ILE 4217Ca -0.07 0.04 -0.09 0.00 -0.26 0.00 0.00 60.65 60.26 1mx5 s ILE 4217Cb -0.16 -3.22 0.02 0.00 1.25 0.00 0.00 42.46 40.36 1mx5 s ILE 4217CO 0.03 0.53 0.24 0.72 0.24 0.00 0.00 174.94 176.70 1mx5 s PHE 4218N -0.30 -0.19 0.12 1.37 -0.71 -0.77 -0.84 117.98 116.65 1mx5 s PHE 4218Ca 0.09 0.43 -0.21 0.00 -1.04 0.00 0.00 56.93 56.20 1mx5 s PHE 4218Cb -0.12 0.07 0.06 0.00 -1.21 0.00 0.00 43.02 41.81 1mx5 s PHE 4218CO 0.01 -0.21 0.53 0.20 -1.34 0.00 0.00 175.22 174.42 1mx5 s GLY 4219N -0.44 -0.49 0.03 1.99 0.00 -1.11 -0.97 107.32 106.33 1mx5 s GLY 4219Ca -0.05 0.39 0.03 0.00 0.00 0.00 0.00 44.72 45.09 1mx5 s GLY 4219CO 0.01 0.08 -0.03 1.85 0.00 0.00 0.00 173.10 175.01 1mx5 s GLU 4220N -3.45 2.59 5.42 2.90 -6.30 -1.24 -0.80 118.70 117.83 1mx5 s GLU 4220Ca 0.00 -0.74 0.00 0.00 -2.50 0.00 0.00 54.97 51.73 1mx5 s GLU 4220Cb -0.00 -2.55 0.00 0.00 0.00 0.00 0.00 34.13 31.58 1mx5 s GLU 4220CO -0.10 0.59 0.00 0.45 0.02 0.00 0.00 175.26 176.22 1mx5 n SER 4221N 1.20 0.00 0.17 -1.70 2.88 0.13 -0.53 113.62 115.76 1mx5 n SER 4221Ca -0.14 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.56 1mx5 n SER 4221Cb 0.52 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.74 1mx5 n SER 4221CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mx5 h ALA 4222N -0.68 2.03 0.00 -1.46 0.00 -1.86 0.86 119.26 118.15 1mx5 h ALA 4222Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1mx5 h ALA 4222Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mx5 h ALA 4222CO 0.00 -0.31 -0.28 0.78 0.00 0.00 0.00 179.25 179.43 1mx5 h GLY 4223N 0.00 0.00 1.61 0.00 0.00 -0.77 0.19 103.07 104.10 1mx5 h GLY 4223Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.17 1mx5 h GLY 4223CO -0.00 0.00 -1.27 -1.33 0.00 0.00 0.00 176.54 173.94 1mx5 h GLY 4224N 1.85 0.22 1.98 4.60 0.00 0.76 -2.83 103.07 109.66 1mx5 h GLY 4224Ca -0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 1mx5 h GLY 4224CO 0.04 0.50 -0.51 -2.09 0.00 0.00 0.00 176.54 174.48 1mx5 h GLU 4225N 0.05 0.02 -0.40 4.80 4.22 -0.52 -1.56 114.58 121.19 1mx5 h GLU 4225Ca -0.13 -0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.18 1mx5 h GLU 4225Cb 1.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 1mx5 h GLU 4225CO 0.17 0.53 -0.20 0.77 -2.18 0.00 0.00 179.01 178.10 1mx5 h SER 4226N 0.02 0.87 -0.36 1.04 0.02 -0.94 -0.71 113.55 113.49 1mx5 h SER 4226Ca -0.00 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 1mx5 h SER 4226Cb 0.91 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1mx5 h SER 4226CO 0.07 1.09 0.09 0.58 -1.14 0.00 0.00 176.83 177.52 1mx5 h VAL 4227N 0.66 1.22 -0.72 2.27 2.07 -1.24 0.11 116.25 120.63 1mx5 h VAL 4227Ca 0.09 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.92 1mx5 h VAL 4227Cb 0.76 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1mx5 h VAL 4227CO 0.06 0.25 0.43 -1.28 0.02 0.00 0.00 177.57 177.05 1mx5 h SER 4228N 0.42 0.67 -0.53 0.57 0.87 -1.19 0.15 113.55 114.51 1mx5 h SER 4228Ca 0.11 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1mx5 h SER 4228Cb 0.29 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1mx5 h SER 4228CO -0.00 0.44 0.13 0.58 -0.53 0.00 0.00 176.83 177.45 1mx5 h VAL 4229N 0.80 1.24 -0.06 2.23 2.07 -0.76 -2.72 116.25 119.05 1mx5 h VAL 4229Ca 0.31 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 1mx5 h VAL 4229Cb 0.12 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1mx5 h VAL 4229CO -0.15 0.31 -0.42 -0.07 0.02 0.00 0.00 177.57 177.26 1mx5 h LEU 4230N 0.74 0.13 -1.52 2.57 3.38 -0.30 -1.80 115.31 118.52 1mx5 h LEU 4230Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1mx5 h LEU 4230Cb 0.34 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1mx5 h LEU 4230CO 0.00 0.54 0.00 0.58 0.09 0.00 0.00 178.44 179.66 1mx5 h VAL 4231N 0.11 0.00 0.00 1.22 2.07 -0.43 -2.54 116.25 116.67 1mx5 h VAL 4231Ca 0.01 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1mx5 h VAL 4231Cb 0.80 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1mx5 h VAL 4231CO 0.06 0.00 -0.84 0.18 0.02 0.00 0.00 177.57 176.99 1mx5 n LEU 4232N -2.83 0.75 -4.74 2.57 4.77 -0.84 -4.97 117.00 111.71 1mx5 n LEU 4232Ca 0.00 -0.48 -0.39 0.00 -0.03 0.00 0.00 56.01 55.12 1mx5 n LEU 4232Cb 0.23 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1mx5 n LEU 4232CO 0.23 0.19 0.30 -0.55 -1.33 0.00 0.00 177.39 176.23 1mx5 s SER 4233N -2.65 6.91 0.43 -1.43 0.15 -0.74 -4.95 113.70 111.42 1mx5 s SER 4233Ca 0.06 1.09 0.20 0.00 0.70 0.00 0.00 55.95 58.00 1mx5 s SER 4233Cb 0.13 -2.36 0.95 0.00 -1.71 0.00 0.00 66.02 63.02 1mx5 s SER 4233CO 0.69 0.01 1.87 -0.65 1.20 0.00 0.00 173.24 176.35 1mx5 h PRO 4234N 6.26 0.00 0.00 5.44 0.11 -1.86 -2.93 132.00 139.02 1mx5 h PRO 4234Ca -0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1mx5 h PRO 4234Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1mx5 h PRO 4234CO 0.73 0.28 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.65 1mx5 h LEU 4235N 0.00 0.00 -2.05 2.35 3.38 -1.84 -2.84 115.31 114.31 1mx5 h LEU 4235Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mx5 h LEU 4235Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1mx5 h LEU 4235CO 0.04 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1mx5 n ALA 4236N -2.51 2.45 -0.12 1.53 0.00 -1.11 -4.77 120.51 115.98 1mx5 n ALA 4236Ca -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 53.44 52.59 1mx5 n ALA 4236Cb 0.16 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 1mx5 n ALA 4236CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1mx5 n LYS 4237N 1.36 -0.13 -1.31 0.00 4.81 -1.07 -0.91 118.16 120.91 1mx5 n LYS 4237Ca 0.15 0.66 -0.31 0.00 -0.87 0.00 0.00 58.31 57.94 1mx5 n LYS 4237Cb 0.59 -0.97 0.11 0.00 0.02 0.00 0.00 35.03 34.77 1mx5 n LYS 4237CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1mx5 n ASN 4238N -3.70 6.46 -0.34 3.14 3.02 -1.26 -4.32 115.26 118.26 1mx5 n ASN 4238Ca 0.01 -3.74 0.06 0.00 -0.03 0.00 0.00 54.58 50.88 1mx5 n ASN 4238Cb 0.07 -0.92 0.01 0.00 -0.61 0.00 0.00 39.78 38.34 1mx5 n ASN 4238CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1mx5 n LEU 4239N -0.98 1.55 -3.43 3.41 4.77 -0.09 -5.01 117.00 117.22 1mx5 n LEU 4239Ca 0.61 -0.83 -0.12 0.00 -0.03 0.00 0.00 56.01 55.64 1mx5 n LEU 4239Cb 0.95 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.02 1mx5 n LEU 4239CO 0.73 0.30 0.41 0.72 -1.33 0.00 0.00 177.39 178.21 1mx5 s PHE 4240N -1.40 -0.53 0.00 -1.77 -0.71 -1.26 -4.88 117.98 107.43 1mx5 s PHE 4240Ca 0.11 0.32 0.00 0.00 -1.04 0.00 0.00 56.93 56.32 1mx5 s PHE 4240Cb 0.10 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.47 1mx5 s PHE 4240CO 0.26 -0.85 0.24 0.72 -1.34 0.00 0.00 175.22 174.26 1mx5 n HIS 4241N -0.38 0.00 -3.60 3.49 8.25 0.12 -4.92 115.22 118.18 1mx5 n HIS 4241Ca -0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 1mx5 n HIS 4241Cb 0.65 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.70 1mx5 n HIS 4241CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1mx5 s ARG 4242N -0.35 0.99 -0.02 -0.41 0.52 -1.09 -4.08 118.95 114.51 1mx5 s ARG 4242Ca 0.00 -0.22 -0.05 0.00 -0.52 0.00 0.00 55.73 54.94 1mx5 s ARG 4242Cb 0.00 0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.93 1mx5 s ARG 4242CO 0.00 -0.35 0.10 0.00 0.02 0.00 0.00 175.30 175.07 1mx5 s ALA 4243N -2.31 -0.23 -0.07 2.13 0.00 0.12 -2.22 121.76 119.18 1mx5 s ALA 4243Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 1mx5 s ALA 4243Cb -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.12 1mx5 s ALA 4243CO -0.01 -0.13 -0.02 0.42 0.00 0.00 0.00 175.76 176.02 1mx5 s ILE 4244N -0.74 0.50 -0.28 0.00 1.01 -0.02 -0.16 121.20 121.51 1mx5 s ILE 4244Ca -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1mx5 s ILE 4244Cb -0.05 -0.59 0.03 0.00 0.01 0.00 0.00 42.46 41.86 1mx5 s ILE 4244CO 0.00 0.26 -0.01 -0.44 0.00 0.00 0.00 174.94 174.76 1mx5 s SER 4245N 1.55 4.69 -0.29 3.58 0.01 0.79 -2.75 113.70 121.28 1mx5 s SER 4245Ca -0.01 -0.94 -0.10 0.00 1.31 0.00 0.00 55.95 56.20 1mx5 s SER 4245Cb -0.13 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 1mx5 s SER 4245CO -0.04 -0.18 0.17 -1.61 0.41 0.00 0.00 173.24 171.99 1mx5 s GLU 4246N 1.35 3.69 -1.32 12.44 2.02 0.02 -1.79 118.70 135.11 1mx5 s GLU 4246Ca -0.01 -0.49 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 1mx5 s GLU 4246Cb -0.18 -3.60 -0.00 0.00 0.10 0.00 0.00 34.13 30.45 1mx5 s GLU 4246CO -0.02 -0.28 0.58 0.43 0.02 0.00 0.00 175.26 176.00 1mx5 n SER 4247N 5.03 -1.60 0.00 -0.19 7.64 -0.85 0.18 113.62 123.82 1mx5 n SER 4247Ca -0.14 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1mx5 n SER 4247Cb 0.51 -3.45 0.00 0.00 -1.01 0.00 0.00 64.21 60.26 1mx5 n SER 4247CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mx5 n GLY 4248N -1.79 3.08 3.40 0.23 0.00 -1.26 -2.87 105.19 105.98 1mx5 n GLY 4248Ca -0.26 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1mx5 n GLY 4248CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx5 s VAL 4249N 0.00 0.44 -1.28 1.61 -7.23 -1.26 -2.07 120.40 110.60 1mx5 s VAL 4249Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1mx5 s VAL 4249Cb 0.00 -2.47 0.04 0.00 0.56 0.00 0.00 36.38 34.52 1mx5 s VAL 4249CO 0.00 0.00 0.98 0.00 -0.31 0.00 0.00 175.10 175.77 1mx5 n ALA 4250N -0.72 1.28 -0.12 1.32 0.00 -1.26 -1.55 120.51 119.46 1mx5 n ALA 4250Ca -0.01 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.53 1mx5 n ALA 4250Cb 0.65 -1.05 0.27 0.00 0.00 0.00 0.00 19.45 19.31 1mx5 n ALA 4250CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mx5 n LEU 4251N -1.36 3.68 -4.55 0.00 4.77 -1.26 -4.71 117.00 113.58 1mx5 n LEU 4251Ca 0.01 -1.81 -0.42 0.00 -0.03 0.00 0.00 56.01 53.76 1mx5 n LEU 4251Cb 0.03 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1mx5 n LEU 4251CO 0.03 0.88 1.62 -0.89 -1.33 0.00 0.00 177.39 177.69 1mx5 s THR 4252N -1.16 4.16 0.46 -5.08 2.01 -0.60 -4.79 115.64 110.64 1mx5 s THR 4252Ca 0.43 -1.42 0.41 0.00 0.31 0.00 0.00 61.69 61.42 1mx5 s THR 4252Cb 0.23 -5.08 0.60 0.00 0.01 0.00 0.00 72.50 68.27 1mx5 s THR 4252CO 0.31 -1.91 1.28 -1.54 -0.69 0.00 0.00 174.62 172.07 1mx5 n SER 4253N 8.24 0.00 0.16 3.53 3.41 -1.26 -1.34 113.62 126.36 1mx5 n SER 4253Ca 0.38 0.81 0.02 0.00 -0.26 0.00 0.00 58.87 59.83 1mx5 n SER 4253Cb 0.48 -0.40 0.38 0.00 -0.26 0.00 0.00 64.21 64.41 1mx5 n SER 4253CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1mx5 h VAL 4254N 0.00 1.22 -0.01 -3.33 3.04 -1.80 -2.93 116.25 112.45 1mx5 h VAL 4254Ca 0.76 -1.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1mx5 h VAL 4254Cb 3.10 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 33.85 1mx5 h VAL 4254CO -0.01 0.30 -0.28 0.18 -1.01 0.00 0.00 177.57 176.76 1mx5 n LEU 4255N -4.19 0.84 -4.08 3.16 4.77 -0.45 -4.79 117.00 112.26 1mx5 n LEU 4255Ca -0.02 -0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.48 1mx5 n LEU 4255Cb 0.34 -0.16 -0.16 0.00 -2.33 0.00 0.00 43.42 41.11 1mx5 n LEU 4255CO 0.38 0.16 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.42 1mx5 s VAL 4256N -2.60 1.94 -0.48 4.08 1.01 -1.11 -0.37 120.40 122.88 1mx5 s VAL 4256Ca 0.22 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 1mx5 s VAL 4256Cb 0.19 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.75 1mx5 s VAL 4256CO 0.55 0.36 0.75 -0.54 0.00 0.00 0.00 175.10 176.22 1mx5 s LYS 4257N 1.30 3.30 0.19 2.72 -0.14 0.11 -4.90 119.74 122.33 1mx5 s LYS 4257Ca 0.01 -0.36 -0.02 0.00 -1.36 0.00 0.00 55.97 54.24 1mx5 s LYS 4257Cb -0.15 -4.00 -0.05 0.00 -1.68 0.00 0.00 37.83 31.96 1mx5 s LYS 4257CO -0.10 -1.20 0.39 0.15 -0.76 0.00 0.00 175.35 173.83 1mx5 s LYS 4258N 3.20 3.54 0.02 1.68 1.02 -1.26 -4.38 119.74 123.55 1mx5 s LYS 4258Ca 0.25 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.97 1mx5 s LYS 4258Cb -0.14 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1mx5 s LYS 4258CO 0.19 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 1mx5 n GLY 4259N -0.50 -2.65 3.64 -3.33 0.00 -1.26 -4.84 105.19 96.25 1mx5 n GLY 4259Ca -0.04 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 1mx5 n GLY 4259CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mx5 n ASP 4260N -0.79 3.90 -0.73 1.61 2.03 -1.26 -4.87 116.55 116.45 1mx5 n ASP 4260Ca 0.00 0.72 0.13 0.00 0.52 0.00 0.00 54.79 56.16 1mx5 n ASP 4260Cb 0.00 -1.53 0.33 0.00 -0.72 0.00 0.00 41.12 39.20 1mx5 n ASP 4260CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1mx5 n VAL 4261N 6.10 0.09 -0.36 5.18 0.24 -1.26 -4.45 118.33 123.87 1mx5 n VAL 4261Ca 0.23 -0.40 0.06 0.00 -2.04 0.00 0.00 64.34 62.18 1mx5 n VAL 4261Cb 0.41 0.86 0.22 0.00 -1.47 0.00 0.00 33.84 33.86 1mx5 n VAL 4261CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1mx5 h LYS 4262N 3.34 1.01 -0.57 7.34 1.63 -1.82 -2.46 116.57 125.06 1mx5 h LYS 4262Ca 0.00 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1mx5 h LYS 4262Cb 0.72 -0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 1mx5 h LYS 4262CO 0.00 0.67 0.34 -1.35 -3.45 0.00 0.00 179.45 175.67 1mx5 h PRO 4263N 1.04 0.66 -0.31 1.90 0.11 -1.95 -1.24 132.00 132.21 1mx5 h PRO 4263Ca 0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.53 1mx5 h PRO 4263Cb 0.40 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1mx5 h PRO 4263CO -0.24 0.44 0.10 1.25 -0.21 0.00 0.00 178.00 179.34 1mx5 h LEU 4264N 0.68 0.45 -0.31 2.35 6.46 -1.79 -0.44 115.31 122.71 1mx5 h LEU 4264Ca 0.23 -0.20 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 1mx5 h LEU 4264Cb 0.02 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 39.76 1mx5 h LEU 4264CO -0.10 0.53 -0.13 0.00 -0.62 0.00 0.00 178.44 178.11 1mx5 h ALA 4265N 0.94 0.12 -0.89 1.25 0.00 -1.09 -1.51 119.26 118.09 1mx5 h ALA 4265Ca 0.10 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1mx5 h ALA 4265Cb 0.23 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1mx5 h ALA 4265CO -0.00 -0.52 0.49 0.93 0.00 0.00 0.00 179.25 180.14 1mx5 h GLU 4266N -0.08 1.23 -0.16 0.00 5.08 -0.96 0.25 114.58 119.95 1mx5 h GLU 4266Ca 0.16 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1mx5 h GLU 4266Cb 0.32 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1mx5 h GLU 4266CO -0.37 0.90 -0.14 0.37 -1.00 0.00 0.00 179.01 178.77 1mx5 h GLN 4267N 1.24 0.25 0.01 2.33 4.15 -0.45 -0.79 115.11 121.85 1mx5 h GLN 4267Ca 0.31 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.50 1mx5 h GLN 4267Cb 0.02 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.69 1mx5 h GLN 4267CO -0.05 0.40 -0.70 0.82 -1.93 0.00 0.00 178.83 177.37 1mx5 h ILE 4268N 0.24 1.40 -0.61 2.39 2.04 -0.59 -1.75 117.51 120.63 1mx5 h ILE 4268Ca 0.05 -2.14 0.02 0.00 1.00 0.00 0.00 64.86 63.79 1mx5 h ILE 4268Cb 0.40 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 39.04 1mx5 h ILE 4268CO 0.02 0.63 0.39 0.00 0.00 0.00 0.00 178.15 179.19 1mx5 h ALA 4269N 0.32 0.78 0.10 1.87 0.00 -0.74 0.90 119.26 122.49 1mx5 h ALA 4269Ca -0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1mx5 h ALA 4269Cb 1.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1mx5 h ALA 4269CO 0.14 0.15 -0.05 0.82 0.00 0.00 0.00 179.25 180.31 1mx5 h ILE 4270N 0.77 1.00 -0.43 0.00 2.04 -1.19 1.09 117.51 120.80 1mx5 h ILE 4270Ca 0.24 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.78 1mx5 h ILE 4270Cb -0.03 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1mx5 h ILE 4270CO -0.08 0.09 0.29 0.74 0.00 0.00 0.00 178.15 179.19 1mx5 h THR 4271N -0.30 0.96 0.00 -0.27 2.02 -1.02 0.16 112.91 114.46 1mx5 h THR 4271Ca -0.01 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1mx5 h THR 4271Cb 0.25 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1mx5 h THR 4271CO 0.02 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.97 1mx5 n ALA 4272N -2.52 2.42 -0.97 6.16 0.00 0.28 -4.88 120.51 121.00 1mx5 n ALA 4272Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1mx5 n ALA 4272Cb 0.25 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1mx5 n ALA 4272CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx5 n GLY 4273N 1.33 0.88 3.66 0.00 0.00 0.57 -5.05 105.19 106.58 1mx5 n GLY 4273Ca 0.12 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1mx5 n GLY 4273CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 s LYS 4275N -1.86 2.69 -0.13 0.00 -0.14 -1.26 -3.65 119.74 115.38 1mx5 s LYS 4275Ca 0.22 1.27 0.17 0.00 -1.36 0.00 0.00 55.97 56.26 1mx5 s LYS 4275Cb -0.11 -1.94 0.30 0.00 -1.68 0.00 0.00 37.83 34.39 1mx5 s LYS 4275CO 0.13 -1.32 1.15 0.25 -0.76 0.00 0.00 175.35 174.80 1mx5 n THR 4276N -2.78 1.81 -0.32 2.17 -2.24 -1.26 -4.18 114.28 107.49 1mx5 n THR 4276Ca 0.10 -2.28 -0.03 0.00 -2.27 0.00 0.00 64.05 59.57 1mx5 n THR 4276Cb 0.52 -0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1mx5 n THR 4276CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mx5 h THR 4277N 0.65 0.06 -4.10 4.28 2.02 -1.96 -3.44 112.91 110.42 1mx5 h THR 4277Ca -0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.03 1mx5 h THR 4277Cb 1.03 0.06 -0.13 0.00 -1.74 0.00 0.00 68.15 67.38 1mx5 h THR 4277CO 0.00 0.00 -0.40 0.42 0.37 0.00 0.00 175.52 175.91 1mx5 s THR 4278N -5.96 0.03 0.12 3.16 -4.23 -1.26 -5.03 115.64 102.47 1mx5 s THR 4278Ca -0.14 -1.64 -0.23 0.00 -1.18 0.00 0.00 61.69 58.50 1mx5 s THR 4278Cb 0.19 -2.16 -0.06 0.00 1.34 0.00 0.00 72.50 71.80 1mx5 s THR 4278CO 0.70 -0.15 1.68 0.28 -0.54 0.00 0.00 174.62 176.60 1mx5 h SER 4279N 2.53 -0.37 0.00 3.99 0.02 -1.96 -2.10 113.55 115.66 1mx5 h SER 4279Ca -0.32 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1mx5 h SER 4279Cb 1.24 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.94 1mx5 h SER 4279CO 0.48 -0.17 -0.01 0.00 -1.14 0.00 0.00 176.83 175.98 1mx5 h ALA 4280N 0.81 1.95 -0.22 3.77 0.00 -1.97 -0.99 119.26 122.60 1mx5 h ALA 4280Ca 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1mx5 h ALA 4280Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mx5 h ALA 4280CO -0.16 0.04 -0.05 0.28 0.00 0.00 0.00 179.25 179.37 1mx5 h VAL 4281N 0.03 1.28 0.44 0.00 2.07 -1.78 -0.62 116.25 117.67 1mx5 h VAL 4281Ca 0.01 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1mx5 h VAL 4281Cb 0.04 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1mx5 h VAL 4281CO 0.00 0.32 -0.21 0.24 0.02 0.00 0.00 177.57 177.94 1mx5 h MET 4282N 0.16 -0.56 -0.19 1.57 0.00 -0.73 -0.76 114.93 114.42 1mx5 h MET 4282Ca 0.06 0.04 0.04 0.00 0.00 0.00 0.00 59.70 59.84 1mx5 h MET 4282Cb 0.50 0.13 -0.04 0.00 0.00 0.00 0.00 31.60 32.19 1mx5 h MET 4282CO 0.02 -0.37 -0.08 0.28 0.00 0.00 0.00 176.91 176.77 1mx5 h VAL 4283N -0.60 0.74 -0.55 -2.22 2.07 -1.22 0.61 116.25 115.07 1mx5 h VAL 4283Ca -0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1mx5 h VAL 4283Cb 0.46 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1mx5 h VAL 4283CO 0.10 0.00 0.28 -0.74 0.02 0.00 0.00 177.57 177.23 1mx5 h HIS 4284N -0.05 0.51 -0.24 1.57 -0.00 -1.01 -1.20 115.15 114.73 1mx5 h HIS 4284Ca 0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1mx5 h HIS 4284Cb 0.20 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 1mx5 h HIS 4284CO -0.24 0.24 0.10 0.00 -0.00 0.00 0.00 177.93 178.03 1mx5 h LEU 4286N 0.23 0.62 -1.74 0.00 3.38 -0.55 -0.65 115.31 116.61 1mx5 h LEU 4286Ca 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1mx5 h LEU 4286Cb 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1mx5 h LEU 4286CO -0.01 0.48 -0.14 0.03 0.09 0.00 0.00 178.44 178.89 1mx5 h ARG 4287N 0.72 0.00 0.00 1.13 3.08 -0.89 -2.11 114.38 116.30 1mx5 h ARG 4287Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1mx5 h ARG 4287Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1mx5 h ARG 4287CO -0.04 0.14 0.00 1.96 -1.07 0.00 0.00 179.97 180.97 1mx5 h GLN 4288N 0.00 0.00 -6.96 0.04 1.08 -0.84 -3.46 115.11 104.98 1mx5 h GLN 4288Ca -0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 1mx5 h GLN 4288Cb 0.43 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1mx5 h GLN 4288CO 0.02 0.00 0.41 0.15 -0.95 0.00 0.00 178.83 178.46 1mx5 s LYS 4289N -3.18 4.19 0.63 1.46 -0.14 -0.80 -5.03 119.74 116.87 1mx5 s LYS 4289Ca 0.09 1.50 -0.12 0.00 -1.36 0.00 0.00 55.97 56.08 1mx5 s LYS 4289Cb 0.10 -2.55 -0.03 0.00 -1.68 0.00 0.00 37.83 33.66 1mx5 s LYS 4289CO 0.60 -0.12 1.04 0.95 -0.76 0.00 0.00 175.35 177.06 1mx5 s THR 4290N -1.66 4.42 0.23 2.17 -4.23 -1.26 -4.87 115.64 110.44 1mx5 s THR 4290Ca 0.57 0.85 -0.07 0.00 -1.18 0.00 0.00 61.69 61.87 1mx5 s THR 4290Cb -0.22 -3.67 0.21 0.00 1.34 0.00 0.00 72.50 70.16 1mx5 s THR 4290CO 0.27 -0.96 1.69 -0.08 -0.54 0.00 0.00 174.62 175.00 1mx5 h GLU 4291N -0.23 0.26 -0.63 3.99 4.81 -1.97 -1.17 114.58 119.63 1mx5 h GLU 4291Ca -0.44 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 1mx5 h GLU 4291Cb 1.20 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1mx5 h GLU 4291CO 0.60 0.17 0.21 0.93 -0.73 0.00 0.00 179.01 180.19 1mx5 h GLU 4292N 0.26 0.95 -0.41 1.92 3.07 -1.98 -1.12 114.58 117.27 1mx5 h GLU 4292Ca 0.38 -0.18 -0.03 0.00 -0.50 0.00 0.00 59.36 59.04 1mx5 h GLU 4292Cb 0.63 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 1mx5 h GLU 4292CO -0.48 0.81 0.15 0.93 -1.40 0.00 0.00 179.01 179.01 1mx5 h GLU 4293N 0.92 0.63 0.00 2.33 5.08 -1.60 0.12 114.58 122.06 1mx5 h GLU 4293Ca 0.21 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1mx5 h GLU 4293Cb 0.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1mx5 h GLU 4293CO -0.01 0.61 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.25 1mx5 h LEU 4294N 0.52 0.00 -0.32 1.33 3.38 -1.14 -0.97 115.31 118.11 1mx5 h LEU 4294Ca 0.13 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 1mx5 h LEU 4294Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1mx5 h LEU 4294CO -0.01 0.29 -0.66 0.25 0.09 0.00 0.00 178.44 178.40 1mx5 h LEU 4295N 0.00 0.80 -1.16 1.67 5.85 -0.53 -1.31 115.31 120.62 1mx5 h LEU 4295Ca -0.00 -0.48 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 1mx5 h LEU 4295Cb 0.58 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1mx5 h LEU 4295CO 0.04 1.25 -0.41 -0.33 -0.34 0.00 0.00 178.44 178.64 1mx5 h GLU 4296N 0.50 0.01 -0.29 1.25 5.08 -0.11 -0.99 114.58 120.03 1mx5 h GLU 4296Ca -0.02 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1mx5 h GLU 4296Cb 1.26 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1mx5 h GLU 4296CO 0.13 0.42 -0.13 1.15 -1.00 0.00 0.00 179.01 179.58 1mx5 h THR 4297N 0.01 1.29 0.16 1.13 2.02 -1.03 -1.08 112.91 115.41 1mx5 h THR 4297Ca -0.00 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 65.97 1mx5 h THR 4297Cb 0.73 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 1mx5 h THR 4297CO 0.05 0.39 -0.46 0.74 0.37 0.00 0.00 175.52 176.62 1mx5 h THR 4298N 0.36 0.10 -0.80 3.16 2.02 -0.62 0.02 112.91 117.15 1mx5 h THR 4298Ca 0.07 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.36 1mx5 h THR 4298Cb 0.65 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 1mx5 h THR 4298CO 0.04 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 176.29 1mx5 h LEU 4299N -0.72 0.56 -1.29 2.58 3.38 -1.14 -0.68 115.31 118.00 1mx5 h LEU 4299Ca 0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1mx5 h LEU 4299Cb 0.72 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1mx5 h LEU 4299CO -0.24 0.29 0.45 0.11 0.09 0.00 0.00 178.44 179.15 1mx5 h LYS 4300N 0.68 0.92 0.00 1.13 1.57 -0.32 -2.08 116.57 118.47 1mx5 h LYS 4300Ca 0.40 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1mx5 h LYS 4300Cb 0.46 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1mx5 h LYS 4300CO -0.29 0.62 0.00 -1.33 -0.57 0.00 0.00 179.45 177.88 1mx5 n MET 4301N -4.42 0.18 -4.04 3.15 2.81 -0.09 -4.93 117.12 109.78 1mx5 n MET 4301Ca 0.07 0.43 -0.27 0.00 -1.81 0.00 0.00 57.70 56.12 1mx5 n MET 4301Cb 0.04 -1.85 -0.04 0.00 -0.71 0.00 0.00 33.22 30.66 1mx5 n MET 4301CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1mx5 n LYS 4302N -2.20 -2.69 -0.89 0.03 5.02 -0.78 -4.94 118.16 111.71 1mx5 n LYS 4302Ca 0.02 0.33 -0.29 0.00 -2.02 0.00 0.00 58.31 56.35 1mx5 n LYS 4302Cb 0.21 -4.29 0.22 0.00 -0.02 0.00 0.00 35.03 31.16 1mx5 n LYS 4302CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1mx5 s PHE 4303N -4.07 1.30 -0.98 2.13 0.40 -1.26 -3.71 117.98 111.79 1mx5 s PHE 4303Ca 0.00 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.22 1mx5 s PHE 4303Cb -0.00 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.31 1mx5 s PHE 4303CO 0.92 -3.62 0.00 1.28 0.70 0.00 0.00 175.22 174.50 1mx5 n LEU 4304N -4.68 -0.96 -3.82 -0.37 4.77 0.41 -4.94 117.00 107.41 1mx5 n LEU 4304Ca 0.06 0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 56.12 1mx5 n LEU 4304Cb 0.57 -1.95 -0.16 0.00 -2.33 0.00 0.00 43.42 39.56 1mx5 n LEU 4304CO 0.54 -0.21 -0.37 -0.55 -1.33 0.00 0.00 177.39 175.46 1mx5 s SER 4305N -2.00 0.36 0.06 -1.43 0.15 -1.24 -4.41 113.70 105.18 1mx5 s SER 4305Ca 0.00 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.32 1mx5 s SER 4305Cb 0.00 -0.19 -0.09 0.00 -1.71 0.00 0.00 66.02 64.03 1mx5 s SER 4305CO 0.00 -0.09 1.87 -0.22 1.20 0.00 0.00 173.24 176.00 1mx5 s LEU 4306N 0.91 4.41 -0.51 3.45 2.96 -0.78 -4.90 118.68 124.22 1mx5 s LEU 4306Ca -0.09 2.64 -0.20 0.00 -0.22 0.00 0.00 54.13 56.26 1mx5 s LEU 4306Cb -0.12 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.07 1mx5 s LEU 4306CO -0.02 -1.01 0.69 -0.62 -1.32 0.00 0.00 176.35 174.07 1mx5 s ASP 4307N 3.66 6.26 0.27 3.68 3.68 -1.26 -4.89 116.67 128.06 1mx5 s ASP 4307Ca 0.84 -0.73 0.21 0.00 2.13 0.00 0.00 52.55 55.00 1mx5 s ASP 4307Cb -0.42 -2.32 0.10 0.00 -1.45 0.00 0.00 42.92 38.82 1mx5 s ASP 4307CO 0.38 -0.94 1.23 -0.07 0.13 0.00 0.00 175.17 175.90 1mx5 h LEU 4308N 9.96 0.00 -8.42 -1.34 3.38 -1.93 -3.44 115.31 113.52 1mx5 h LEU 4308Ca -0.27 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.04 1mx5 h LEU 4308Cb 1.09 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.58 1mx5 h LEU 4308CO 0.98 0.11 -0.66 -1.58 0.09 0.00 0.00 178.44 177.38 1mx5 s GLN 4309N -3.23 3.25 0.00 1.13 -0.44 -1.26 -4.97 119.66 114.15 1mx5 s GLN 4309Ca 0.02 -0.73 0.00 0.00 -2.50 0.00 0.00 55.36 52.15 1mx5 s GLN 4309Cb 0.08 -3.22 0.00 0.00 -1.64 0.00 0.00 33.01 28.23 1mx5 s GLN 4309CO 0.75 -0.32 0.00 0.41 0.50 0.00 0.00 175.29 176.63 1mx5 n GLY 4310N 4.84 3.06 3.25 2.59 0.00 -1.26 -5.01 105.19 112.65 1mx5 n GLY 4310Ca -0.16 -1.38 -0.57 0.00 0.00 0.00 0.00 46.02 43.90 1mx5 n GLY 4310CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mx5 n ASP 4311N 0.00 0.63 -0.18 1.61 -0.08 -1.26 -4.83 116.55 112.44 1mx5 n ASP 4311Ca 0.00 1.05 0.11 0.00 -1.51 0.00 0.00 54.79 54.44 1mx5 n ASP 4311Cb 0.00 -0.80 0.42 0.00 2.34 0.00 0.00 41.12 43.08 1mx5 n ASP 4311CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1mx5 h PRO 4312N 3.72 0.57 0.00 -0.67 0.11 -1.88 -2.11 132.00 131.74 1mx5 h PRO 4312Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1mx5 h PRO 4312Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1mx5 h PRO 4312CO 0.75 0.38 0.00 0.00 -0.21 0.00 0.00 178.00 178.92 1mx5 h ARG 4313N 0.59 0.00 0.00 1.05 3.08 -1.90 -1.92 114.38 115.29 1mx5 h ARG 4313Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1mx5 h ARG 4313Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1mx5 h ARG 4313CO -0.13 0.00 -1.03 0.39 -1.07 0.00 0.00 179.97 178.13 1mx5 n GLU 4314N -2.58 0.06 -2.21 0.04 1.02 -0.80 -4.95 120.64 111.22 1mx5 n GLU 4314Ca 0.00 -0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 1mx5 n GLU 4314Cb 0.18 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1mx5 n GLU 4314CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1mx5 s SER 4315N -3.16 6.89 -0.50 1.62 0.01 -0.72 -5.00 113.70 112.84 1mx5 s SER 4315Ca 0.07 2.42 0.04 0.00 1.31 0.00 0.00 55.95 59.79 1mx5 s SER 4315Cb 0.16 -2.61 0.13 0.00 0.21 0.00 0.00 66.02 63.90 1mx5 s SER 4315CO 0.85 -0.52 0.24 -1.58 0.41 0.00 0.00 173.24 172.65 1mx5 s GLN 4316N -0.27 1.90 0.57 12.44 2.00 -1.26 -4.77 119.66 130.27 1mx5 s GLN 4316Ca 0.56 -2.54 0.28 0.00 -2.00 0.00 0.00 55.36 51.67 1mx5 s GLN 4316Cb -0.37 -3.24 1.49 0.00 0.80 0.00 0.00 33.01 31.69 1mx5 s GLN 4316CO 0.39 -1.10 1.94 -1.00 -0.50 0.00 0.00 175.29 175.02 1mx5 h PRO 4317N 6.58 0.00 -2.18 1.67 0.13 -1.90 -3.43 132.00 132.87 1mx5 h PRO 4317Ca -0.07 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.32 1mx5 h PRO 4317Cb 0.90 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.97 1mx5 h PRO 4317CO 0.66 0.00 0.75 -0.48 -0.23 0.00 0.00 178.00 178.71 1mx5 s LEU 4318N -7.77 -0.01 -0.34 1.56 0.05 -1.26 0.16 118.68 111.06 1mx5 s LEU 4318Ca -0.04 -0.37 -0.10 0.00 0.05 0.00 0.00 54.13 53.66 1mx5 s LEU 4318Cb 0.17 1.65 0.01 0.00 -2.05 0.00 0.00 46.19 45.96 1mx5 s LEU 4318CO 0.60 -0.58 0.18 -0.76 -0.55 0.00 0.00 176.35 175.25 1mx5 s LEU 4319N -3.49 4.39 0.00 1.48 1.43 -1.26 -5.07 118.68 116.17 1mx5 s LEU 4319Ca 0.23 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1mx5 s LEU 4319Cb -0.00 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1mx5 s LEU 4319CO 0.01 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1mx5 n GLY 4320N 5.00 5.43 3.79 -3.19 0.00 -1.26 -4.72 105.19 110.23 1mx5 n GLY 4320Ca -0.13 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 1mx5 n GLY 4320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx5 s THR 4321N 1.82 3.51 0.15 2.61 2.01 0.51 -4.75 115.64 121.50 1mx5 s THR 4321Ca 0.00 0.86 -0.01 0.00 0.31 0.00 0.00 61.69 62.84 1mx5 s THR 4321Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1mx5 s THR 4321CO 0.00 -0.29 0.09 0.68 -0.69 0.00 0.00 174.62 174.41 1mx5 s VAL 4322N -2.06 0.08 -0.98 3.82 -7.23 -1.26 0.08 120.40 112.84 1mx5 s VAL 4322Ca 0.68 -1.91 -0.20 0.00 -1.81 0.00 0.00 61.98 58.74 1mx5 s VAL 4322Cb -0.19 -2.14 0.10 0.00 0.56 0.00 0.00 36.38 34.70 1mx5 s VAL 4322CO 0.29 -0.35 1.28 -0.63 -0.31 0.00 0.00 175.10 175.38 1mx5 s ILE 4323N -4.07 4.38 0.09 -0.62 -1.09 -1.26 -4.73 121.20 113.90 1mx5 s ILE 4323Ca 0.27 -1.25 -0.15 0.00 -2.23 0.00 0.00 60.65 57.30 1mx5 s ILE 4323Cb 0.07 -4.91 -0.12 0.00 -1.58 0.00 0.00 42.46 35.92 1mx5 s ILE 4323CO 0.04 -1.70 1.36 -2.24 -1.23 0.00 0.00 174.94 171.16 1mx5 h ASP 4324N 9.20 0.79 0.00 3.58 3.04 -1.80 -3.48 116.42 127.75 1mx5 h ASP 4324Ca 0.18 -0.55 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 1mx5 h ASP 4324Cb 1.01 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.08 1mx5 h ASP 4324CO 1.25 1.19 0.00 0.61 -2.04 0.00 0.00 179.24 180.25 1mx5 n GLY 4325N 0.41 0.93 0.88 7.15 0.00 -0.61 -4.91 105.19 109.04 1mx5 n GLY 4325Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 1mx5 n GLY 4325CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mx5 n MET 4326N -0.74 0.08 -0.09 1.61 2.81 -1.26 -4.79 117.12 114.74 1mx5 n MET 4326Ca 0.00 0.04 -0.18 0.00 -1.81 0.00 0.00 57.70 55.74 1mx5 n MET 4326Cb 0.00 -0.64 -0.11 0.00 -0.71 0.00 0.00 33.22 31.75 1mx5 n MET 4326CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mx5 h LEU 4327N -0.15 0.00 -8.00 4.03 5.85 -1.96 -3.44 115.31 111.65 1mx5 h LEU 4327Ca -0.09 -0.63 -0.67 0.00 0.84 0.00 0.00 57.88 57.33 1mx5 h LEU 4327Cb 0.96 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.64 1mx5 h LEU 4327CO -0.05 1.29 -0.84 -0.76 -0.34 0.00 0.00 178.44 177.74 1mx5 s LEU 4328N -8.00 2.53 0.10 2.25 1.43 -1.26 -4.35 118.68 111.38 1mx5 s LEU 4328Ca -0.25 -0.88 0.25 0.00 -1.03 0.00 0.00 54.13 52.22 1mx5 s LEU 4328Cb 0.03 -1.49 0.58 0.00 0.03 0.00 0.00 46.19 45.33 1mx5 s LEU 4328CO 0.60 -0.06 1.51 0.18 0.23 0.00 0.00 176.35 178.80 1mx5 n LEU 4329N 4.56 0.60 -3.72 1.79 4.77 -1.26 -1.58 117.00 122.17 1mx5 n LEU 4329Ca -0.19 0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 1mx5 n LEU 4329Cb 0.47 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1mx5 n LEU 4329CO 0.24 -0.04 0.70 -1.59 -1.33 0.00 0.00 177.39 175.37 1mx5 s LYS 4330N -3.10 1.17 0.53 3.23 -2.85 -1.26 -4.88 119.74 112.57 1mx5 s LYS 4330Ca 0.09 -0.62 -0.20 0.00 -1.00 0.00 0.00 55.97 54.24 1mx5 s LYS 4330Cb 0.15 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 36.25 1mx5 s LYS 4330CO 0.67 -0.53 0.79 0.25 0.10 0.00 0.00 175.35 176.63 1mx5 n THR 4331N -0.44 2.71 -0.16 3.79 -2.24 -1.26 -4.67 114.28 112.01 1mx5 n THR 4331Ca -0.06 -0.50 0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1mx5 n THR 4331Cb 0.61 -0.94 0.44 0.00 -2.10 0.00 0.00 70.33 68.34 1mx5 n THR 4331CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1mx5 h PRO 4332N 0.71 0.53 0.30 -0.78 0.11 -1.98 0.35 132.00 131.23 1mx5 h PRO 4332Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1mx5 h PRO 4332Cb 1.37 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1mx5 h PRO 4332CO 0.51 0.35 -0.22 0.93 -0.21 0.00 0.00 178.00 179.36 1mx5 h GLU 4333N 0.55 -0.48 -0.85 1.05 3.07 -1.92 -0.38 114.58 115.62 1mx5 h GLU 4333Ca 0.34 0.03 0.22 0.00 -0.50 0.00 0.00 59.36 59.46 1mx5 h GLU 4333Cb 0.59 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.56 1mx5 h GLU 4333CO -0.12 -0.32 0.59 0.93 -1.40 0.00 0.00 179.01 178.69 1mx5 h GLU 4334N -0.50 0.14 -0.11 2.33 5.08 -1.78 -2.39 114.58 117.36 1mx5 h GLU 4334Ca -0.04 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1mx5 h GLU 4334Cb 0.41 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1mx5 h GLU 4334CO 0.02 0.09 -0.22 -0.07 -1.00 0.00 0.00 179.01 177.83 1mx5 h LEU 4335N 0.15 0.38 0.00 1.33 3.38 -0.43 -3.04 115.31 117.08 1mx5 h LEU 4335Ca 0.42 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1mx5 h LEU 4335Cb 1.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1mx5 h LEU 4335CO -0.07 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.33 1mx5 n GLN 4336N -4.50 0.47 0.07 1.13 10.64 -0.20 -0.88 117.38 124.10 1mx5 n GLN 4336Ca -0.07 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.22 1mx5 n GLN 4336Cb 0.42 -1.10 0.28 0.00 -0.86 0.00 0.00 30.24 28.98 1mx5 n GLN 4336CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1mx5 n ALA 4337N -0.60 2.73 -2.62 2.61 0.00 -1.15 -4.81 120.51 116.66 1mx5 n ALA 4337Ca 0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1mx5 n ALA 4337Cb 0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1mx5 n ALA 4337CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1mx5 s GLU 4338N -3.13 4.51 -0.09 0.00 2.56 -0.06 -4.93 118.70 117.57 1mx5 s GLU 4338Ca 0.08 1.52 0.13 0.00 0.00 0.00 0.00 54.97 56.70 1mx5 s GLU 4338Cb 0.14 -3.44 0.20 0.00 2.00 0.00 0.00 34.13 33.03 1mx5 s GLU 4338CO 0.67 -0.13 1.09 0.54 -0.56 0.00 0.00 175.26 176.87 1mx5 n ARG 4339N 3.99 1.36 -0.24 4.30 3.00 -1.26 -4.61 116.66 123.20 1mx5 n ARG 4339Ca 0.07 -2.13 0.07 0.00 -0.01 0.00 0.00 57.85 55.85 1mx5 n ARG 4339Cb 0.50 -1.26 0.10 0.00 0.00 0.00 0.00 32.46 31.80 1mx5 n ARG 4339CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1mx5 n ASN 4340N -1.05 1.60 -4.97 0.55 4.13 -1.26 -5.01 115.26 109.24 1mx5 n ASN 4340Ca 0.11 -2.77 -0.21 0.00 1.68 0.00 0.00 54.58 53.39 1mx5 n ASN 4340Cb 0.58 -0.36 0.01 0.00 -1.54 0.00 0.00 39.78 38.47 1mx5 n ASN 4340CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1mx5 s PHE 4341N -1.98 3.11 0.09 3.10 5.36 -1.26 -5.05 117.98 121.36 1mx5 s PHE 4341Ca 0.23 0.00 -0.31 0.00 -0.96 0.00 0.00 56.93 55.89 1mx5 s PHE 4341Cb 0.20 -2.26 -0.08 0.00 -0.34 0.00 0.00 43.02 40.54 1mx5 s PHE 4341CO 0.01 -0.30 1.45 -1.58 -1.46 0.00 0.00 175.22 173.34 1mx5 s HIS 4342N -2.43 3.04 0.15 10.12 5.04 -1.26 -5.01 115.29 124.93 1mx5 s HIS 4342Ca 0.49 0.80 0.11 0.00 -1.54 0.00 0.00 55.06 54.92 1mx5 s HIS 4342Cb -0.10 -3.75 -0.04 0.00 0.04 0.00 0.00 32.58 28.74 1mx5 s HIS 4342CO 0.35 -2.72 -0.26 0.95 -2.34 0.00 0.00 174.74 170.72 1mx5 s THR 4343N 1.57 2.28 0.06 0.89 -4.23 -1.26 -5.03 115.64 109.92 1mx5 s THR 4343Ca 0.66 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1mx5 s THR 4343Cb -0.37 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1mx5 s THR 4343CO 0.30 0.03 0.00 0.68 -0.54 0.00 0.00 174.62 175.09 1mx5 s VAL 4344N -1.25 0.21 0.11 2.29 -7.23 -1.26 -5.02 120.40 108.25 1mx5 s VAL 4344Ca 0.16 -1.73 -0.34 0.00 -1.81 0.00 0.00 61.98 58.26 1mx5 s VAL 4344Cb -0.09 -1.51 -0.14 0.00 0.56 0.00 0.00 36.38 35.20 1mx5 s VAL 4344CO 0.07 -0.93 1.63 -2.65 -0.31 0.00 0.00 175.10 172.90 1mx5 n PRO 4345N 0.08 2.13 -3.87 4.82 -0.02 -1.26 -4.53 135.00 132.35 1mx5 n PRO 4345Ca -0.14 0.77 -0.26 0.00 -2.02 0.00 0.00 63.50 61.85 1mx5 n PRO 4345Cb 0.61 -2.55 -0.17 0.00 -0.02 0.00 0.00 33.50 31.38 1mx5 n PRO 4345CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1mx5 s TYR 4346N 1.47 1.34 -0.27 6.00 6.04 0.14 -0.70 117.35 131.38 1mx5 s TYR 4346Ca 0.81 -0.69 -0.10 0.00 0.04 0.00 0.00 57.07 57.13 1mx5 s TYR 4346Cb -0.69 -1.16 -0.04 0.00 -1.04 0.00 0.00 41.96 39.03 1mx5 s TYR 4346CO 0.41 -0.50 0.15 1.41 -1.54 0.00 0.00 175.55 175.48 1mx5 s MET 4347N 1.75 3.89 -0.18 4.97 -2.45 0.77 -1.29 119.30 126.76 1mx5 s MET 4347Ca 0.04 -0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.13 1mx5 s MET 4347Cb -0.13 -3.55 0.03 0.00 1.25 0.00 0.00 34.83 32.43 1mx5 s MET 4347CO -0.08 -0.15 -0.15 0.08 1.05 0.00 0.00 175.02 175.78 1mx5 s VAL 4348N 1.62 1.80 0.21 10.11 1.01 0.17 -0.15 120.40 135.18 1mx5 s VAL 4348Ca 0.07 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1mx5 s VAL 4348Cb -0.15 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1mx5 s VAL 4348CO 0.08 0.37 0.04 -0.83 0.00 0.00 0.00 175.10 174.76 1mx5 s GLY 4349N 1.37 1.47 0.21 4.51 0.00 -0.74 -3.29 107.32 110.85 1mx5 s GLY 4349Ca 0.02 -1.73 -0.00 0.00 0.00 0.00 0.00 44.72 43.01 1mx5 s GLY 4349CO -0.10 -1.57 0.14 -0.26 0.00 0.00 0.00 173.10 171.31 1mx5 s ILE 4350N -3.68 0.03 0.20 0.90 -4.36 -0.78 -2.01 121.20 111.49 1mx5 s ILE 4350Ca 0.30 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.75 1mx5 s ILE 4350Cb 0.07 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 1mx5 s ILE 4350CO 0.09 0.00 0.18 0.20 0.24 0.00 0.00 174.94 175.65 1mx5 s ASN 4351N -3.19 5.64 0.33 4.36 0.02 -1.26 -1.28 114.94 119.56 1mx5 s ASN 4351Ca 0.39 -0.13 0.06 0.00 -1.02 0.00 0.00 52.86 52.16 1mx5 s ASN 4351Cb 0.07 -1.49 0.71 0.00 0.02 0.00 0.00 41.25 40.55 1mx5 s ASN 4351CO 0.13 0.03 1.87 0.50 0.02 0.00 0.00 177.10 179.65 1mx5 h LYS 4352N 2.02 0.79 -2.06 -0.60 1.63 -0.66 -3.29 116.57 114.42 1mx5 h LYS 4352Ca -0.48 -0.05 -0.53 0.00 -0.85 0.00 0.00 60.65 58.74 1mx5 h LYS 4352Cb 1.21 -0.18 -0.40 0.00 -0.60 0.00 0.00 32.23 32.26 1mx5 h LYS 4352CO 0.63 0.53 -1.04 1.04 -3.45 0.00 0.00 179.45 177.15 1mx5 n GLN 4353N -4.57 1.32 -0.38 1.90 6.02 0.18 -4.97 117.38 116.89 1mx5 n GLN 4353Ca 0.17 -3.64 0.33 0.00 -0.01 0.00 0.00 57.00 53.85 1mx5 n GLN 4353Cb 0.40 -1.66 0.65 0.00 1.02 0.00 0.00 30.24 30.65 1mx5 n GLN 4353CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1mx5 h GLU 4354N 3.46 0.15 -0.46 -1.09 4.39 -1.67 0.64 114.58 119.99 1mx5 h GLU 4354Ca 0.10 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.56 1mx5 h GLU 4354Cb 0.85 -0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.32 1mx5 h GLU 4354CO 0.56 0.10 0.04 0.34 -1.16 0.00 0.00 179.01 178.89 1mx5 n PHE 4355N -4.43 1.43 0.00 4.33 -0.00 -1.26 -3.88 117.46 113.65 1mx5 n PHE 4355Ca 0.30 -1.64 0.00 0.00 -0.00 0.00 0.00 57.45 56.10 1mx5 n PHE 4355Cb 1.22 -0.57 0.00 0.00 -0.00 0.00 0.00 39.48 40.13 1mx5 n PHE 4355CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1mx5 n GLY 4356N -1.12 -2.50 1.50 7.13 0.00 0.22 -4.73 105.19 105.70 1mx5 n GLY 4356Ca 0.38 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1mx5 n GLY 4356CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1mx5 n TRP 4357N -2.05 -0.88 0.00 1.61 -0.00 -1.26 -4.89 117.44 109.97 1mx5 n TRP 4357Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.50 57.66 1mx5 n TRP 4357Cb 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 31.31 31.58 1mx5 n TRP 4357CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1mx5 n LEU 4358N -3.19 0.00 0.18 5.87 7.94 -1.26 -0.83 117.00 125.71 1mx5 n LEU 4358Ca 0.00 0.58 -0.14 0.00 -1.11 0.00 0.00 56.01 55.34 1mx5 n LEU 4358Cb 0.00 -0.28 -0.07 0.00 0.53 0.00 0.00 43.42 43.61 1mx5 n LEU 4358CO 0.00 -0.28 0.66 0.40 -1.11 0.00 0.00 177.39 177.06 1mx5 h ILE 4359N 0.00 0.35 -0.67 1.96 2.04 -1.91 -0.62 117.51 118.65 1mx5 h ILE 4359Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1mx5 h ILE 4359Cb 0.00 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.35 1mx5 h ILE 4359CO 0.00 0.00 0.30 -0.65 0.00 0.00 0.00 178.15 177.80 1mx5 h PRO 4360N -0.62 0.49 0.29 2.37 0.11 -1.78 0.55 132.00 133.42 1mx5 h PRO 4360Ca -0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1mx5 h PRO 4360Cb 0.59 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1mx5 h PRO 4360CO -0.10 0.32 -0.27 1.98 -0.21 0.00 0.00 178.00 179.73 1mx5 h MET 4361N 0.51 -0.56 0.00 1.05 1.85 -0.72 -1.09 114.93 115.97 1mx5 h MET 4361Ca 0.33 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.46 1mx5 h MET 4361Cb 0.39 0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.55 1mx5 h MET 4361CO -0.29 -0.37 0.00 -0.07 -0.40 0.00 0.00 176.91 175.78 1mx5 h LEU 4363N -0.58 0.00 -2.40 3.39 3.38 -0.69 -2.46 115.31 115.95 1mx5 h LEU 4363Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1mx5 h LEU 4363Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1mx5 h LEU 4363CO -0.04 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.72 1mx5 n MET 4364N -2.68 2.56 -3.44 1.13 2.81 0.15 -4.82 117.12 112.82 1mx5 n MET 4364Ca 0.01 -2.36 -0.18 0.00 -1.81 0.00 0.00 57.70 53.35 1mx5 n MET 4364Cb 0.23 -1.53 0.08 0.00 -0.71 0.00 0.00 33.22 31.30 1mx5 n MET 4364CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1mx5 n SER 4365N 1.54 -3.29 -4.74 7.83 7.64 -0.51 -1.87 113.62 120.21 1mx5 n SER 4365Ca 0.20 -0.58 -0.41 0.00 1.01 0.00 0.00 58.87 59.09 1mx5 n SER 4365Cb 0.62 -4.96 -0.03 0.00 -1.01 0.00 0.00 64.21 58.83 1mx5 n SER 4365CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mx5 s TYR 4366N -3.34 3.31 -1.13 1.43 1.51 -0.60 -4.83 117.35 113.70 1mx5 s TYR 4366Ca 0.17 1.29 -0.22 0.00 -1.01 0.00 0.00 57.07 57.29 1mx5 s TYR 4366Cb -0.07 -3.55 -0.02 0.00 -0.11 0.00 0.00 41.96 38.20 1mx5 s TYR 4366CO 0.71 -1.67 1.83 -2.14 -1.11 0.00 0.00 175.55 173.17 1mx5 s PRO 4367N -0.17 2.99 -0.00 -1.71 0.02 -1.26 -4.57 135.00 130.30 1mx5 s PRO 4367Ca 0.55 -1.16 0.06 0.00 0.02 0.00 0.00 61.00 60.47 1mx5 s PRO 4367Cb -0.35 -5.29 0.11 0.00 0.02 0.00 0.00 34.50 28.98 1mx5 s PRO 4367CO 0.38 -3.23 1.04 1.28 -0.33 0.00 0.00 177.00 176.14 1mx5 n LEU 4368N 12.21 0.28 0.33 -5.54 4.77 -1.26 -4.87 117.00 122.93 1mx5 n LEU 4368Ca 0.43 -1.28 0.21 0.00 -0.03 0.00 0.00 56.01 55.35 1mx5 n LEU 4368Cb 0.47 -0.01 1.16 0.00 -2.33 0.00 0.00 43.42 42.71 1mx5 n LEU 4368CO 0.68 0.32 1.18 0.77 -1.33 0.00 0.00 177.39 179.01 1mx5 h SER 4369N 0.23 0.00 -0.57 -1.43 4.64 -1.97 -1.60 113.55 112.86 1mx5 h SER 4369Ca -0.05 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 1mx5 h SER 4369Cb 1.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.58 1mx5 h SER 4369CO 0.02 0.00 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.62 1mx5 h GLU 4370N 0.00 1.02 0.00 4.77 4.39 -1.99 -3.47 114.58 119.31 1mx5 h GLU 4370Ca 0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1mx5 h GLU 4370Cb 0.03 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1mx5 h GLU 4370CO -0.00 1.03 0.00 0.41 -1.16 0.00 0.00 179.01 179.29 1mx5 n GLY 4371N -0.35 0.61 3.32 -3.84 0.00 -0.60 -5.04 105.19 99.29 1mx5 n GLY 4371Ca 0.02 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 1mx5 n GLY 4371CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mx5 s GLN 4372N -0.73 1.34 -0.29 1.61 -0.44 -1.26 -4.52 119.66 115.37 1mx5 s GLN 4372Ca 0.00 -1.54 -0.16 0.00 -2.50 0.00 0.00 55.36 51.15 1mx5 s GLN 4372Cb 0.00 0.33 0.13 0.00 -1.64 0.00 0.00 33.01 31.83 1mx5 s GLN 4372CO 0.00 -0.48 0.89 -1.17 0.50 0.00 0.00 175.29 175.03 1mx5 s LEU 4373N -3.13 -0.63 0.00 3.68 2.96 -0.07 -4.90 118.68 116.59 1mx5 s LEU 4373Ca 0.34 1.02 0.01 0.00 -0.22 0.00 0.00 54.13 55.28 1mx5 s LEU 4373Cb 0.04 1.93 0.10 0.00 0.50 0.00 0.00 46.19 48.77 1mx5 s LEU 4373CO 0.12 -0.16 0.72 -0.90 -1.32 0.00 0.00 176.35 174.81 1mx5 n ASP 4374N 3.83 1.10 0.21 3.68 5.75 -1.26 -4.43 116.55 125.43 1mx5 n ASP 4374Ca -0.19 -1.90 -0.15 0.00 -0.01 0.00 0.00 54.79 52.55 1mx5 n ASP 4374Cb 0.58 -0.45 -0.08 0.00 -1.03 0.00 0.00 41.12 40.13 1mx5 n ASP 4374CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1mx5 h GLN 4375N 0.00 -0.51 -0.73 0.11 1.08 -1.98 -2.26 115.11 110.82 1mx5 h GLN 4375Ca -0.24 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.04 1mx5 h GLN 4375Cb 0.92 0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 28.41 1mx5 h GLN 4375CO 0.27 -0.24 0.44 0.87 -0.95 0.00 0.00 178.83 179.22 1mx5 h LYS 4376N -0.74 0.82 -0.50 1.46 1.57 -1.99 0.17 116.57 117.36 1mx5 h LYS 4376Ca -0.05 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 1mx5 h LYS 4376Cb 0.51 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1mx5 h LYS 4376CO 0.09 0.54 -0.04 1.15 -0.57 0.00 0.00 179.45 180.62 1mx5 h THR 4377N 0.84 1.26 -0.29 -0.16 2.02 -1.96 0.61 112.91 115.22 1mx5 h THR 4377Ca 0.30 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1mx5 h THR 4377Cb 0.09 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1mx5 h THR 4377CO -0.14 0.39 0.08 0.00 0.37 0.00 0.00 175.52 176.23 1mx5 h ALA 4378N 1.15 0.38 -0.04 6.16 0.00 -0.70 0.30 119.26 126.51 1mx5 h ALA 4378Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mx5 h ALA 4378Cb 0.53 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mx5 h ALA 4378CO 0.03 0.02 0.02 0.52 0.00 0.00 0.00 179.25 179.84 1mx5 h MET 4379N 0.30 0.06 -0.48 0.00 2.07 -0.47 0.12 114.93 116.54 1mx5 h MET 4379Ca 0.09 -0.01 0.04 0.00 -2.07 0.00 0.00 59.70 57.76 1mx5 h MET 4379Cb 0.26 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.93 1mx5 h MET 4379CO -0.00 0.17 0.23 1.03 1.07 0.00 0.00 176.91 179.42 1mx5 h SER 4380N -0.06 0.33 -0.66 1.22 0.87 -0.76 -1.19 113.55 113.29 1mx5 h SER 4380Ca 0.02 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1mx5 h SER 4380Cb 0.13 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 1mx5 h SER 4380CO -0.00 0.23 0.33 0.25 -0.53 0.00 0.00 176.83 177.11 1mx5 h LEU 4381N 0.46 0.86 -1.26 2.23 6.46 -0.14 -2.25 115.31 121.68 1mx5 h LEU 4381Ca 0.21 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1mx5 h LEU 4381Cb 0.14 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 1mx5 h LEU 4381CO -0.16 0.73 0.24 0.25 -0.62 0.00 0.00 178.44 178.88 1mx5 h LEU 4382N 0.96 0.68 -0.13 2.25 5.85 0.41 -1.15 115.31 124.18 1mx5 h LEU 4382Ca 0.24 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1mx5 h LEU 4382Cb 0.09 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1mx5 h LEU 4382CO -0.03 0.59 0.01 -0.25 -0.34 0.00 0.00 178.44 178.42 1mx5 h TRP 4383N 0.76 0.24 -0.13 1.25 -0.00 -0.76 -2.67 115.95 114.63 1mx5 h TRP 4383Ca 0.19 -0.04 0.04 0.00 -0.00 0.00 0.00 58.89 59.08 1mx5 h TRP 4383Cb 0.10 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.20 1mx5 h TRP 4383CO 0.01 0.44 0.10 0.87 -0.00 0.00 0.00 178.44 179.86 1mx5 h LYS 4384N -0.04 0.00 0.00 2.65 1.79 -1.11 0.17 116.57 120.03 1mx5 h LYS 4384Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1mx5 h LYS 4384Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1mx5 h LYS 4384CO 0.01 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.81 1mx5 n SER 4385N -4.45 0.00 -0.31 0.86 7.64 -0.48 -4.36 113.62 112.52 1mx5 n SER 4385Ca 0.00 -1.34 0.01 0.00 1.01 0.00 0.00 58.87 58.55 1mx5 n SER 4385Cb 0.22 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.49 1mx5 n SER 4385CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1mx5 h TYR 4386N 0.00 -0.73 -0.01 1.43 3.20 -0.57 0.26 116.97 120.56 1mx5 h TYR 4386Ca 0.00 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1mx5 h TYR 4386Cb 0.00 0.45 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1mx5 h TYR 4386CO 0.00 -0.39 0.15 -1.00 -1.64 0.00 0.00 178.16 175.28 1mx5 h PRO 4387N -0.03 0.00 0.04 1.82 0.13 -1.76 0.59 132.00 132.79 1mx5 h PRO 4387Ca 0.37 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 65.14 1mx5 h PRO 4387Cb 0.61 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.69 1mx5 h PRO 4387CO -0.89 0.00 -2.15 1.28 -0.23 0.00 0.00 178.00 176.02 1mx5 n LEU 4388N -3.03 1.80 0.00 1.56 4.77 0.86 -4.56 117.00 118.40 1mx5 n LEU 4388Ca -0.02 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1mx5 n LEU 4388Cb 0.21 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1mx5 n LEU 4388CO 0.17 0.70 0.18 1.33 -1.33 0.00 0.00 177.39 178.45 1mx5 n VAL 4389N -3.17 0.00 -4.34 4.08 0.24 -0.80 -4.43 118.33 109.90 1mx5 n VAL 4389Ca -0.33 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.34 61.10 1mx5 n VAL 4389Cb 1.06 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 34.38 1mx5 n VAL 4389CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mx5 s ILE 4391N -3.41 4.78 0.22 0.00 1.01 -1.26 -5.02 121.20 117.52 1mx5 s ILE 4391Ca 0.67 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 1mx5 s ILE 4391Cb -0.38 -4.33 -0.16 0.00 0.01 0.00 0.00 42.46 37.61 1mx5 s ILE 4391CO 0.97 -0.83 0.93 0.00 0.00 0.00 0.00 174.94 176.01 1mx5 n ALA 4392N 6.41 -1.26 -0.30 9.38 0.00 -1.26 -4.68 120.51 128.80 1mx5 n ALA 4392Ca -0.04 0.44 0.14 0.00 0.00 0.00 0.00 53.44 53.97 1mx5 n ALA 4392Cb 0.46 -1.90 0.32 0.00 0.00 0.00 0.00 19.45 18.33 1mx5 n ALA 4392CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1mx5 h LYS 4393N 2.19 0.26 0.00 0.00 3.64 -1.98 0.31 116.57 120.99 1mx5 h LYS 4393Ca -0.38 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1mx5 h LYS 4393Cb 1.37 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1mx5 h LYS 4393CO 0.63 0.17 0.00 1.05 -2.27 0.00 0.00 179.45 179.03 1mx5 h GLU 4394N 0.26 0.00 -0.00 1.90 4.11 -2.04 -2.35 114.58 116.46 1mx5 h GLU 4394Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.01 1mx5 h GLU 4394Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1mx5 h GLU 4394CO -0.62 0.00 -0.72 1.28 0.07 0.00 0.00 179.01 179.02 1mx5 n LEU 4395N -2.85 1.22 -0.16 3.06 4.77 0.11 -4.59 117.00 118.56 1mx5 n LEU 4395Ca -0.01 -0.59 -0.02 0.00 -0.03 0.00 0.00 56.01 55.35 1mx5 n LEU 4395Cb 0.15 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1mx5 n LEU 4395CO 0.20 0.27 0.90 0.40 -1.33 0.00 0.00 177.39 177.83 1mx5 h ILE 4396N 0.76 0.70 -0.19 -0.08 1.08 -1.02 -2.31 117.51 116.45 1mx5 h ILE 4396Ca 0.00 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1mx5 h ILE 4396Cb 0.52 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 1mx5 h ILE 4396CO 0.00 0.04 -0.00 -0.65 -0.69 0.00 0.00 178.15 176.85 1mx5 h PRO 4397N 0.22 0.06 -0.82 2.37 0.11 -1.81 -0.81 132.00 131.31 1mx5 h PRO 4397Ca 0.25 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.43 1mx5 h PRO 4397Cb 0.34 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.38 1mx5 h PRO 4397CO -0.34 0.04 0.49 1.49 -0.21 0.00 0.00 178.00 179.47 1mx5 h GLU 4398N 0.06 0.84 0.01 1.05 4.81 -1.79 0.10 114.58 119.66 1mx5 h GLU 4398Ca 0.09 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1mx5 h GLU 4398Cb 0.12 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1mx5 h GLU 4398CO -0.16 0.56 -0.01 0.00 -0.73 0.00 0.00 179.01 178.67 1mx5 h ALA 4399N 1.41 -0.02 -0.20 2.92 0.00 -1.08 -2.28 119.26 120.02 1mx5 h ALA 4399Ca 0.37 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1mx5 h ALA 4399Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1mx5 h ALA 4399CO -0.20 -0.30 0.05 1.15 0.00 0.00 0.00 179.25 179.95 1mx5 h THR 4400N -0.43 0.93 -0.84 0.00 2.02 -0.88 -2.05 112.91 111.65 1mx5 h THR 4400Ca -0.00 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.15 1mx5 h THR 4400Cb 0.42 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1mx5 h THR 4400CO 0.00 0.03 0.56 -0.08 0.37 0.00 0.00 175.52 176.40 1mx5 h GLU 4401N 0.14 1.08 -0.29 6.66 4.57 -1.04 0.91 114.58 126.62 1mx5 h GLU 4401Ca 0.09 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1mx5 h GLU 4401Cb 0.07 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 1mx5 h GLU 4401CO -0.11 0.72 -0.05 -0.22 -1.18 0.00 0.00 179.01 178.17 1mx5 h LYS 4402N 1.11 0.45 0.02 1.92 1.63 -0.80 -0.46 116.57 120.45 1mx5 h LYS 4402Ca 0.32 -0.10 -0.38 0.00 -0.85 0.00 0.00 60.65 59.64 1mx5 h LYS 4402Cb -0.09 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.42 1mx5 h LYS 4402CO -0.08 0.52 -2.35 0.66 -3.45 0.00 0.00 179.45 174.75 1mx5 n TYR 4403N -4.27 0.24 -0.04 1.91 4.02 -0.79 -4.69 117.16 113.54 1mx5 n TYR 4403Ca 0.01 0.06 0.01 0.00 -0.01 0.00 0.00 57.90 57.96 1mx5 n TYR 4403Cb 0.26 -1.03 -0.15 0.00 -0.02 0.00 0.00 39.34 38.40 1mx5 n TYR 4403CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1mx5 n LEU 4404N -3.19 0.13 -0.20 7.72 4.77 0.31 -4.34 117.00 122.20 1mx5 n LEU 4404Ca -0.40 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1mx5 n LEU 4404Cb 1.03 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 42.34 1mx5 n LEU 4404CO 0.33 0.22 0.07 0.61 -1.33 0.00 0.00 177.39 177.29 1mx5 n GLY 4405N 1.48 0.00 0.14 -0.72 0.00 -0.18 -2.97 105.19 102.95 1mx5 n GLY 4405Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1mx5 n GLY 4405CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mx5 h GLY 4406N 1.35 0.33 -2.27 -0.02 0.00 -1.78 -3.49 103.07 97.18 1mx5 h GLY 4406Ca 0.00 -0.83 -0.45 0.00 0.00 0.00 0.00 47.33 46.05 1mx5 h GLY 4406CO 0.00 0.73 -0.66 -0.51 0.00 0.00 0.00 176.54 176.10 1mx5 s THR 4407N -2.55 1.36 -1.82 4.70 -4.23 -1.16 -5.03 115.64 106.91 1mx5 s THR 4407Ca -0.21 -2.07 0.20 0.00 -1.18 0.00 0.00 61.69 58.43 1mx5 s THR 4407Cb 0.06 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1mx5 s THR 4407CO 0.78 -0.26 1.00 0.47 -0.54 0.00 0.00 174.62 176.06 1mx5 n ASP 4408N -0.54 1.88 -4.62 3.99 8.00 -1.26 -4.87 116.55 119.13 1mx5 n ASP 4408Ca -0.05 -1.44 -0.43 0.00 0.71 0.00 0.00 54.79 53.58 1mx5 n ASP 4408Cb 0.64 0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 42.19 1mx5 n ASP 4408CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mx5 s ASP 4409N -2.24 6.44 0.52 -2.24 -1.08 -1.26 -4.89 116.67 111.93 1mx5 s ASP 4409Ca 0.16 1.21 0.23 0.00 -0.52 0.00 0.00 52.55 53.64 1mx5 s ASP 4409Cb 0.16 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.50 1mx5 s ASP 4409CO 0.50 -1.27 2.11 0.71 0.52 0.00 0.00 175.17 177.74 1mx5 h THR 4410N 6.22 0.75 -0.13 1.71 1.35 -1.90 0.12 112.91 121.02 1mx5 h THR 4410Ca -0.29 -0.36 -0.19 0.00 -0.55 0.00 0.00 66.41 65.01 1mx5 h THR 4410Cb 1.12 1.22 0.01 0.00 -1.73 0.00 0.00 68.15 68.76 1mx5 h THR 4410CO 1.04 0.09 -0.67 0.58 -0.25 0.00 0.00 175.52 176.31 1mx5 h VAL 4411N 0.00 1.31 -0.30 6.82 2.07 -1.84 0.05 116.25 124.36 1mx5 h VAL 4411Ca -0.00 -1.92 -0.07 0.00 0.82 0.00 0.00 66.70 65.53 1mx5 h VAL 4411Cb 0.21 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1mx5 h VAL 4411CO 0.01 0.60 -0.08 0.11 0.02 0.00 0.00 177.57 178.23 1mx5 h LYS 4412N 0.37 0.59 -0.89 1.57 1.57 -1.76 -1.12 116.57 116.89 1mx5 h LYS 4412Ca -0.05 -0.23 0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1mx5 h LYS 4412Cb 1.31 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.52 1mx5 h LYS 4412CO 0.14 0.78 0.57 0.87 -0.57 0.00 0.00 179.45 181.25 1mx5 h LYS 4413N 0.35 0.63 0.07 3.15 1.57 -0.99 0.62 116.57 121.96 1mx5 h LYS 4413Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1mx5 h LYS 4413Cb 0.57 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1mx5 h LYS 4413CO 0.03 0.42 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.07 1mx5 h LYS 4414N 0.65 -0.09 -0.48 3.15 3.64 -0.68 0.15 116.57 122.91 1mx5 h LYS 4414Ca 0.45 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.82 1mx5 h LYS 4414Cb 0.79 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1mx5 h LYS 4414CO -0.21 0.22 0.22 -0.44 -2.27 0.00 0.00 179.45 176.97 1mx5 h ASP 4415N -0.41 0.61 0.34 4.20 3.32 0.03 -0.33 116.42 124.17 1mx5 h ASP 4415Ca -0.01 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 1mx5 h ASP 4415Cb 0.36 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1mx5 h ASP 4415CO 0.02 0.53 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.63 1mx5 h LEU 4416N 0.68 0.05 -0.79 1.55 3.38 0.41 -1.48 115.31 119.10 1mx5 h LEU 4416Ca 0.17 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1mx5 h LEU 4416Cb 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1mx5 h LEU 4416CO -0.02 0.41 -0.27 0.15 0.09 0.00 0.00 178.44 178.81 1mx5 h PHE 4417N 0.04 0.69 -0.01 1.13 3.57 0.10 -1.00 116.94 121.46 1mx5 h PHE 4417Ca 0.00 -0.16 -0.14 0.00 3.53 0.00 0.00 57.97 61.20 1mx5 h PHE 4417Cb 0.67 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1mx5 h PHE 4417CO 0.00 0.82 -0.64 -0.07 -2.23 0.00 0.00 178.31 176.18 1mx5 h LEU 4418N 0.53 0.06 -0.48 0.59 3.38 -0.75 -2.85 115.31 115.78 1mx5 h LEU 4418Ca 0.07 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1mx5 h LEU 4418Cb 0.73 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1mx5 h LEU 4418CO 0.06 0.68 -0.27 0.44 0.09 0.00 0.00 178.44 179.45 1mx5 h ASP 4419N 0.03 1.00 -0.34 -0.43 3.32 -0.84 -1.79 116.42 117.37 1mx5 h ASP 4419Ca -0.01 -0.40 0.07 0.00 0.02 0.00 0.00 57.03 56.71 1mx5 h ASP 4419Cb 1.14 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 1mx5 h ASP 4419CO 0.09 1.20 -0.07 0.25 -1.72 0.00 0.00 179.24 178.99 1mx5 h LEU 4420N 0.82 -0.28 -0.27 1.55 7.12 -1.01 -1.31 115.31 121.93 1mx5 h LEU 4420Ca 0.10 0.10 -0.20 0.00 0.13 0.00 0.00 57.88 58.00 1mx5 h LEU 4420Cb 0.85 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.17 1mx5 h LEU 4420CO 0.07 -0.10 -0.65 0.40 -0.13 0.00 0.00 178.44 178.04 1mx5 h ILE 4421N 0.02 1.28 -0.86 4.05 2.04 -1.40 -2.64 117.51 120.01 1mx5 h ILE 4421Ca 0.17 -1.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 1mx5 h ILE 4421Cb 0.25 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1mx5 h ILE 4421CO -0.34 0.59 0.44 0.00 0.00 0.00 0.00 178.15 178.84 1mx5 h ALA 4422N 0.67 1.15 -0.11 1.87 0.00 -1.11 -0.32 119.26 121.41 1mx5 h ALA 4422Ca -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1mx5 h ALA 4422Cb 1.26 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1mx5 h ALA 4422CO 0.14 0.66 0.04 -0.44 0.00 0.00 0.00 179.25 179.64 1mx5 h ASP 4423N 1.21 0.16 0.40 0.00 5.19 -1.21 0.65 116.42 122.82 1mx5 h ASP 4423Ca 0.30 -0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.41 1mx5 h ASP 4423Cb 0.08 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1mx5 h ASP 4423CO -0.04 0.31 -0.45 0.58 -3.12 0.00 0.00 179.24 176.52 1mx5 h VAL 4424N -0.01 1.33 0.09 -1.35 2.07 -1.24 0.26 116.25 117.40 1mx5 h VAL 4424Ca 0.04 -1.57 -0.34 0.00 0.82 0.00 0.00 66.70 65.65 1mx5 h VAL 4424Cb 0.21 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1mx5 h VAL 4424CO -0.00 0.45 -1.85 0.24 0.02 0.00 0.00 177.57 176.43 1mx5 h MET 4425N 0.05 0.20 0.00 1.57 2.86 -0.94 -3.42 114.93 115.25 1mx5 h MET 4425Ca 0.00 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1mx5 h MET 4425Cb 0.82 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1mx5 h MET 4425CO 0.06 1.01 -0.08 1.19 1.06 0.00 0.00 176.91 180.16 1mx5 n PHE 4426N -3.37 -0.47 0.00 -0.22 3.01 0.22 -4.46 117.46 112.17 1mx5 n PHE 4426Ca -0.26 0.08 -0.10 0.00 1.01 0.00 0.00 57.45 58.18 1mx5 n PHE 4426Cb 1.05 0.12 -0.07 0.00 -0.01 0.00 0.00 39.48 40.57 1mx5 n PHE 4426CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1mx5 h GLY 4427N 0.00 -1.25 0.83 1.37 0.00 -1.27 0.20 103.07 102.95 1mx5 h GLY 4427Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1mx5 h GLY 4427CO 0.00 -0.33 -0.16 -2.08 0.00 0.00 0.00 176.54 173.98 1mx5 h VAL 4428N -0.40 0.66 -0.14 4.60 2.07 -0.74 -1.74 116.25 120.55 1mx5 h VAL 4428Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1mx5 h VAL 4428Cb 0.46 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1mx5 h VAL 4428CO -0.29 0.00 -0.14 -0.65 0.02 0.00 0.00 177.57 176.51 1mx5 h PRO 4429N -0.35 -0.16 -0.73 1.57 0.11 -1.69 -1.30 132.00 129.44 1mx5 h PRO 4429Ca -0.00 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.21 1mx5 h PRO 4429Cb 0.32 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.40 1mx5 h PRO 4429CO -0.03 -0.11 0.37 0.77 -0.21 0.00 0.00 178.00 178.80 1mx5 h SER 4430N -0.17 0.50 -0.01 -2.05 0.02 -0.52 -1.56 113.55 109.76 1mx5 h SER 4430Ca 0.10 0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 60.93 1mx5 h SER 4430Cb 0.31 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1mx5 h SER 4430CO -0.24 0.28 -0.59 0.58 -1.14 0.00 0.00 176.83 175.72 1mx5 h VAL 4431N 0.63 1.32 -0.64 2.27 2.07 -0.91 -2.19 116.25 118.79 1mx5 h VAL 4431Ca 0.36 -1.84 -0.08 0.00 0.82 0.00 0.00 66.70 65.96 1mx5 h VAL 4431Cb 0.38 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1mx5 h VAL 4431CO -0.27 0.58 0.09 0.40 0.02 0.00 0.00 177.57 178.39 1mx5 h ILE 4432N 0.46 1.26 0.57 4.57 2.04 -0.88 -1.07 117.51 124.46 1mx5 h ILE 4432Ca 0.00 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1mx5 h ILE 4432Cb 1.15 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1mx5 h ILE 4432CO 0.11 0.39 -0.33 0.58 0.00 0.00 0.00 178.15 178.90 1mx5 h VAL 4433N 0.99 0.32 -0.47 1.67 2.07 -1.22 -1.32 116.25 118.28 1mx5 h VAL 4433Ca 0.19 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.81 1mx5 h VAL 4433Cb 0.45 0.32 -0.10 0.00 -1.52 0.00 0.00 31.29 30.45 1mx5 h VAL 4433CO 0.02 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.42 1mx5 h ALA 4434N -0.47 0.20 -0.27 1.67 0.00 -1.22 0.17 119.26 119.33 1mx5 h ALA 4434Ca -0.07 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1mx5 h ALA 4434Cb 0.68 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1mx5 h ALA 4434CO 0.08 -0.52 -0.16 0.00 0.00 0.00 0.00 179.25 178.66 1mx5 h ARG 4435N -0.08 -0.13 -0.22 0.00 3.08 -1.00 0.21 114.38 116.24 1mx5 h ARG 4435Ca 0.23 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 1mx5 h ARG 4435Cb 0.42 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1mx5 h ARG 4435CO -0.53 -0.09 0.11 -0.91 -1.07 0.00 0.00 179.97 177.48 1mx5 h ASN 4436N -0.14 0.29 -0.63 7.04 4.21 -0.07 -0.21 115.58 126.06 1mx5 h ASN 4436Ca 0.15 -0.12 0.08 0.00 1.21 0.00 0.00 56.30 57.62 1mx5 h ASN 4436Cb 0.36 -0.07 -0.06 0.00 -1.12 0.00 0.00 38.32 37.42 1mx5 h ASN 4436CO -0.36 0.32 0.29 -0.74 -1.29 0.00 0.00 177.43 175.66 1mx5 h HIS 4437N 0.23 0.53 0.63 1.19 2.76 -0.24 -1.23 115.15 119.02 1mx5 h HIS 4437Ca 0.08 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1mx5 h HIS 4437Cb 0.11 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 1mx5 h HIS 4437CO -0.03 0.20 -0.36 -0.09 -1.30 0.00 0.00 177.93 176.35 1mx5 h ARG 4438N 0.53 -0.89 0.00 5.26 2.43 -0.21 -2.38 114.38 119.11 1mx5 h ARG 4438Ca 0.30 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1mx5 h ARG 4438Cb 0.30 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1mx5 h ARG 4438CO -0.25 -0.59 0.00 -0.25 -1.51 0.00 0.00 179.97 177.37 1mx5 n ASP 4439N -5.50 0.55 -0.06 -3.80 8.00 -0.12 0.36 116.55 115.97 1mx5 n ASP 4439Ca -0.13 0.74 0.15 0.00 0.71 0.00 0.00 54.79 56.26 1mx5 n ASP 4439Cb 0.39 -0.81 0.78 0.00 -0.02 0.00 0.00 41.12 41.45 1mx5 n ASP 4439CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mx5 n ALA 4440N -1.76 2.63 -0.61 2.24 0.00 -0.49 -4.90 120.51 117.62 1mx5 n ALA 4440Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1mx5 n ALA 4440Cb 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1mx5 n ALA 4440CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx5 n GLY 4441N 1.17 0.63 3.70 0.00 0.00 0.16 -4.96 105.19 105.90 1mx5 n GLY 4441Ca 0.18 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1mx5 n GLY 4441CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 s ALA 4442N -2.00 3.35 0.11 4.61 0.00 -1.17 -5.05 121.76 121.60 1mx5 s ALA 4442Ca 0.00 -1.02 -0.32 0.00 0.00 0.00 0.00 51.96 50.63 1mx5 s ALA 4442Cb 0.00 -1.32 -0.11 0.00 0.00 0.00 0.00 23.12 21.69 1mx5 s ALA 4442CO 0.00 0.69 1.82 -2.30 0.00 0.00 0.00 175.76 175.97 1mx5 n PRO 4443N 0.93 2.69 -4.57 0.00 -0.02 -1.26 -4.31 135.00 128.45 1mx5 n PRO 4443Ca -0.12 0.98 -0.25 0.00 -2.02 0.00 0.00 63.50 62.09 1mx5 n PRO 4443Cb 0.52 -2.86 -0.14 0.00 -0.02 0.00 0.00 33.50 31.00 1mx5 n PRO 4443CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1mx5 s THR 4444N 2.72 1.61 -0.01 3.45 2.01 -1.26 -0.69 115.64 123.47 1mx5 s THR 4444Ca 0.83 -1.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 1mx5 s THR 4444Cb -0.52 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1mx5 s THR 4444CO 0.39 0.16 0.05 -0.31 -0.69 0.00 0.00 174.62 174.21 1mx5 s TYR 4445N -0.84 0.00 0.12 4.92 2.02 -0.41 -0.36 117.35 122.80 1mx5 s TYR 4445Ca 0.07 0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1mx5 s TYR 4445Cb -0.09 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1mx5 s TYR 4445CO 0.02 -0.08 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.18 1mx5 s MET 4446N -0.36 0.95 0.17 -0.62 -1.94 -1.26 0.46 119.30 116.70 1mx5 s MET 4446Ca -0.04 -1.33 -0.18 0.00 -1.71 0.00 0.00 55.69 52.43 1mx5 s MET 4446Cb -0.03 -0.53 0.04 0.00 2.01 0.00 0.00 34.83 36.32 1mx5 s MET 4446CO 0.00 0.06 0.51 1.52 -0.01 0.00 0.00 175.02 177.10 1mx5 s TYR 4447N -3.06 -0.20 -0.08 -0.03 1.13 -1.21 -2.23 117.35 111.68 1mx5 s TYR 4447Ca 0.12 -0.12 -0.01 0.00 -1.41 0.00 0.00 57.07 55.65 1mx5 s TYR 4447Cb 0.01 0.39 0.03 0.00 -1.10 0.00 0.00 41.96 41.29 1mx5 s TYR 4447CO -0.01 -0.86 -0.02 -2.00 -2.51 0.00 0.00 175.55 170.16 1mx5 s GLU 4448N -3.84 0.81 -0.21 -3.49 2.12 -0.31 -1.87 118.70 111.91 1mx5 s GLU 4448Ca 0.06 0.02 -0.16 0.00 0.36 0.00 0.00 54.97 55.26 1mx5 s GLU 4448Cb -0.00 -1.09 -0.04 0.00 0.26 0.00 0.00 34.13 33.26 1mx5 s GLU 4448CO -0.06 -0.28 0.39 0.12 -0.54 0.00 0.00 175.26 174.89 1mx5 s PHE 4449N 1.83 3.36 -0.41 5.30 5.36 -0.40 -0.01 117.98 133.00 1mx5 s PHE 4449Ca 0.04 0.58 0.02 0.00 -0.96 0.00 0.00 56.93 56.60 1mx5 s PHE 4449Cb -0.12 -2.52 0.14 0.00 -0.34 0.00 0.00 43.02 40.18 1mx5 s PHE 4449CO -0.05 -0.03 0.25 -1.14 -1.46 0.00 0.00 175.22 172.79 1mx5 s GLN 4450N 1.39 0.99 -0.00 10.12 0.74 0.92 -0.40 119.66 133.41 1mx5 s GLN 4450Ca 0.18 -1.81 -0.28 0.00 0.05 0.00 0.00 55.36 53.50 1mx5 s GLN 4450Cb -0.15 -1.84 0.07 0.00 1.10 0.00 0.00 33.01 32.19 1mx5 s GLN 4450CO 0.08 -1.22 0.64 -0.47 -0.55 0.00 0.00 175.29 173.77 1mx5 s TYR 4451N 0.51 -0.61 -0.34 1.67 5.04 -1.26 -4.23 117.35 118.13 1mx5 s TYR 4451Ca 0.20 0.91 -0.02 0.00 -2.44 0.00 0.00 57.07 55.72 1mx5 s TYR 4451Cb -0.19 0.42 0.07 0.00 0.35 0.00 0.00 41.96 42.62 1mx5 s TYR 4451CO -0.03 -0.65 0.08 0.50 -1.34 0.00 0.00 175.55 174.11 1mx5 s ARG 4452N -1.76 2.25 0.56 4.97 3.52 -1.26 -0.83 118.95 126.39 1mx5 s ARG 4452Ca -0.08 -1.48 -0.21 0.00 -0.13 0.00 0.00 55.73 53.83 1mx5 s ARG 4452Cb -0.00 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 1mx5 s ARG 4452CO 0.05 -0.79 1.32 -1.25 -0.81 0.00 0.00 175.30 173.81 1mx5 s PRO 4453N 1.21 3.09 0.31 5.12 0.04 -1.26 -4.86 135.00 138.65 1mx5 s PRO 4453Ca 0.00 2.13 0.26 0.00 0.04 0.00 0.00 61.00 63.43 1mx5 s PRO 4453Cb -0.21 -2.18 1.04 0.00 0.04 0.00 0.00 34.50 33.19 1mx5 s PRO 4453CO -0.02 -1.20 1.77 0.66 0.04 0.00 0.00 177.00 178.25 1mx5 h SER 4454N 1.32 0.00 -0.08 6.66 4.64 -1.98 -2.41 113.55 121.70 1mx5 h SER 4454Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1mx5 h SER 4454Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1mx5 h SER 4454CO 0.57 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 177.02 1mx5 n PHE 4455N -2.41 0.11 -0.58 4.77 3.01 -1.26 -4.91 117.46 116.18 1mx5 n PHE 4455Ca 0.02 -0.05 -0.30 0.00 1.01 0.00 0.00 57.45 58.13 1mx5 n PHE 4455Cb 0.26 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 39.94 1mx5 n PHE 4455CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1mx5 n SER 4456N -0.28 -0.95 -4.78 4.37 7.64 -0.91 -4.95 113.62 113.76 1mx5 n SER 4456Ca 0.12 0.10 -0.36 0.00 1.01 0.00 0.00 58.87 59.75 1mx5 n SER 4456Cb 0.16 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 1mx5 n SER 4456CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1mx5 s SER 4457N -2.45 6.48 0.53 6.43 0.15 -1.26 -4.92 113.70 118.66 1mx5 s SER 4457Ca 0.67 2.10 0.35 0.00 0.70 0.00 0.00 55.95 59.76 1mx5 s SER 4457Cb -0.24 -2.59 1.59 0.00 -1.71 0.00 0.00 66.02 63.08 1mx5 s SER 4457CO 0.62 -0.69 2.03 0.44 1.20 0.00 0.00 173.24 176.85 1mx5 h ASP 4458N 2.16 0.00 -0.05 5.45 3.32 -1.97 -1.65 116.42 123.68 1mx5 h ASP 4458Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1mx5 h ASP 4458Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1mx5 h ASP 4458CO 0.61 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 178.36 1mx5 n MET 4459N -2.92 1.55 -3.17 3.56 2.81 -1.26 -4.80 117.12 112.89 1mx5 n MET 4459Ca -0.00 -0.81 -0.41 0.00 -1.81 0.00 0.00 57.70 54.67 1mx5 n MET 4459Cb 0.22 -1.45 -0.07 0.00 -0.71 0.00 0.00 33.22 31.20 1mx5 n MET 4459CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mx5 s LYS 4460N -1.95 3.73 0.27 0.03 2.20 -0.62 -5.03 119.74 118.37 1mx5 s LYS 4460Ca 0.37 0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 1mx5 s LYS 4460Cb 0.20 -3.78 -0.14 0.00 -1.51 0.00 0.00 37.83 32.59 1mx5 s LYS 4460CO 0.32 -0.64 1.00 -0.35 -0.36 0.00 0.00 175.35 175.31 1mx5 n PRO 4461N 5.87 1.24 0.19 4.03 -0.04 -1.26 -4.82 135.00 140.22 1mx5 n PRO 4461Ca -0.03 0.44 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 1mx5 n PRO 4461Cb 0.49 -1.80 0.68 0.00 -0.04 0.00 0.00 33.50 32.82 1mx5 n PRO 4461CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1mx5 h LYS 4462N 2.13 0.00 -0.05 0.54 1.57 -1.95 -2.43 116.57 116.38 1mx5 h LYS 4462Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1mx5 h LYS 4462Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1mx5 h LYS 4462CO 0.62 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.75 1mx5 n THR 4463N -2.46 0.06 -3.13 -0.16 -2.24 -1.26 -4.70 114.28 100.37 1mx5 n THR 4463Ca -0.01 -0.15 -0.44 0.00 -2.27 0.00 0.00 64.05 61.19 1mx5 n THR 4463Cb 0.11 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 1mx5 n THR 4463CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mx5 s VAL 4464N -1.94 4.84 -0.13 2.28 1.01 -0.92 -5.03 120.40 120.51 1mx5 s VAL 4464Ca 0.36 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1mx5 s VAL 4464Cb 0.18 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1mx5 s VAL 4464CO 0.29 -0.94 -0.04 -0.63 0.00 0.00 0.00 175.10 173.78 1mx5 s ILE 4465N 2.67 3.92 -0.64 2.22 1.01 -1.26 -4.59 121.20 124.53 1mx5 s ILE 4465Ca 0.14 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 1mx5 s ILE 4465Cb -0.21 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 1mx5 s ILE 4465CO 0.10 0.53 0.53 0.61 0.00 0.00 0.00 174.94 176.71 1mx5 n GLY 4466N 3.13 -0.02 3.92 6.18 0.00 -0.01 -3.80 105.19 114.58 1mx5 n GLY 4466Ca -0.18 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1mx5 n GLY 4466CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx5 s ASP 4467N -3.66 4.67 0.17 1.61 2.15 -1.26 0.50 116.67 120.85 1mx5 s ASP 4467Ca 0.04 0.55 -0.33 0.00 0.43 0.00 0.00 52.55 53.23 1mx5 s ASP 4467Cb -0.00 -1.13 -0.15 0.00 -0.30 0.00 0.00 42.92 41.34 1mx5 s ASP 4467CO 0.40 -1.73 1.38 1.57 -0.17 0.00 0.00 175.17 176.61 1mx5 n HIS 4468N -3.07 1.84 -1.06 -5.34 -0.00 -1.25 -1.35 115.22 105.00 1mx5 n HIS 4468Ca 0.08 0.49 -0.02 0.00 -0.00 0.00 0.00 57.72 58.28 1mx5 n HIS 4468Cb 0.61 -2.41 -0.01 0.00 -0.00 0.00 0.00 29.99 28.18 1mx5 n HIS 4468CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mx5 n GLY 4469N 2.52 0.44 0.15 1.57 0.00 -1.26 -4.89 105.19 103.72 1mx5 n GLY 4469Ca 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1mx5 n GLY 4469CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx5 h ASP 4470N 0.00 0.00 1.32 1.61 5.19 -1.57 -3.01 116.42 119.95 1mx5 h ASP 4470Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1mx5 h ASP 4470Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1mx5 h ASP 4470CO 0.06 0.57 0.00 1.05 -3.12 0.00 0.00 179.24 177.80 1mx5 h GLU 4471N 0.00 0.00 -0.92 3.56 9.09 -1.90 -3.23 114.58 121.17 1mx5 h GLU 4471Ca -0.01 0.00 0.13 0.00 0.05 0.00 0.00 59.36 59.54 1mx5 h GLU 4471Cb 1.11 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 28.12 1mx5 h GLU 4471CO 0.07 0.00 0.54 -0.07 0.05 0.00 0.00 179.01 179.61 1mx5 h LEU 4472N 0.00 0.75 -1.67 3.06 3.38 -1.93 -0.26 115.31 118.65 1mx5 h LEU 4472Ca 0.00 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1mx5 h LEU 4472Cb 0.66 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1mx5 h LEU 4472CO 0.00 0.37 -0.18 -0.26 0.09 0.00 0.00 178.44 178.46 1mx5 h PHE 4473N 0.82 0.00 0.02 1.13 -1.00 -1.76 -0.03 116.94 116.12 1mx5 h PHE 4473Ca 0.48 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.26 1mx5 h PHE 4473Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1mx5 h PHE 4473CO -0.04 0.18 -0.01 0.77 -1.61 0.00 0.00 178.31 177.60 1mx5 h SER 4474N 0.00 -0.03 -0.93 2.17 0.02 -1.29 -0.80 113.55 112.68 1mx5 h SER 4474Ca -0.00 -0.71 0.02 0.00 -0.84 0.00 0.00 61.79 60.26 1mx5 h SER 4474Cb 0.32 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1mx5 h SER 4474CO 0.02 0.78 0.62 0.58 -1.14 0.00 0.00 176.83 177.69 1mx5 h VAL 4475N -0.91 1.20 -0.58 2.27 2.07 -1.09 -2.86 116.25 116.35 1mx5 h VAL 4475Ca -0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1mx5 h VAL 4475Cb 0.74 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1mx5 h VAL 4475CO 0.01 0.22 0.00 0.49 0.02 0.00 0.00 177.57 178.31 1mx5 n PHE 4476N -4.42 1.25 -2.45 1.57 3.01 -0.04 -4.75 117.46 111.63 1mx5 n PHE 4476Ca 0.12 -0.51 -0.18 0.00 1.01 0.00 0.00 57.45 57.88 1mx5 n PHE 4476Cb 0.06 -0.19 -0.00 0.00 -0.01 0.00 0.00 39.48 39.33 1mx5 n PHE 4476CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx5 n GLY 4477N 1.11 -0.36 0.34 1.37 0.00 -1.08 -4.46 105.19 102.10 1mx5 n GLY 4477Ca 0.22 -0.11 0.21 0.00 0.00 0.00 0.00 46.02 46.34 1mx5 n GLY 4477CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 h ALA 4478N 0.85 1.85 -0.18 4.61 0.00 -1.35 0.22 119.26 125.26 1mx5 h ALA 4478Ca -0.43 0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1mx5 h ALA 4478Cb 1.31 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1mx5 h ALA 4478CO 0.50 -0.44 0.35 -1.35 0.00 0.00 0.00 179.25 178.31 1mx5 h PRO 4479N 0.43 0.00 -0.49 0.00 0.11 -1.84 0.72 132.00 130.93 1mx5 h PRO 4479Ca 0.69 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.80 1mx5 h PRO 4479Cb 1.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.57 1mx5 h PRO 4479CO -0.55 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.43 1mx5 n PHE 4480N -3.32 1.08 0.00 0.65 3.01 0.78 -4.55 117.46 115.10 1mx5 n PHE 4480Ca 0.02 -0.64 0.00 0.00 1.01 0.00 0.00 57.45 57.84 1mx5 n PHE 4480Cb 0.45 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 1mx5 n PHE 4480CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mx5 n LEU 4481N 0.63 0.72 -4.93 4.37 4.77 -0.20 -4.90 117.00 117.46 1mx5 n LEU 4481Ca 0.21 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.00 1mx5 n LEU 4481Cb 0.76 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.84 1mx5 n LEU 4481CO 0.18 0.12 0.05 -0.54 -1.33 0.00 0.00 177.39 175.87 1mx5 s LYS 4482N -1.31 2.70 0.43 3.23 1.02 0.07 -3.88 119.74 122.01 1mx5 s LYS 4482Ca 0.00 -1.37 0.08 0.00 0.02 0.00 0.00 55.97 54.70 1mx5 s LYS 4482Cb 0.00 -2.56 -0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1mx5 s LYS 4482CO 0.00 -0.18 0.45 -1.21 -0.92 0.00 0.00 175.35 173.49 1mx5 s GLU 4483N -4.20 2.57 0.00 1.68 2.02 -1.26 -4.67 118.70 114.83 1mx5 s GLU 4483Ca 0.50 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.99 1mx5 s GLU 4483Cb -0.06 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1mx5 s GLU 4483CO 0.30 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.71 1mx5 n GLY 4484N -1.68 1.08 3.72 -1.39 0.00 -1.26 -4.95 105.19 100.71 1mx5 n GLY 4484Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1mx5 n GLY 4484CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 s ALA 4485N -2.66 3.87 1.22 4.61 0.00 -1.26 -4.99 121.76 122.55 1mx5 s ALA 4485Ca 0.00 1.51 -0.20 0.00 0.00 0.00 0.00 51.96 53.27 1mx5 s ALA 4485Cb 0.00 -3.67 0.30 0.00 0.00 0.00 0.00 23.12 19.75 1mx5 s ALA 4485CO 0.00 -0.88 1.13 -1.54 0.00 0.00 0.00 175.76 174.48 1mx5 s SER 4486N 1.10 0.77 0.21 0.00 1.04 -1.26 -4.83 113.70 110.72 1mx5 s SER 4486Ca 0.72 0.49 0.09 0.00 0.48 0.00 0.00 55.95 57.73 1mx5 s SER 4486Cb -0.47 -0.62 0.12 0.00 0.10 0.00 0.00 66.02 65.14 1mx5 s SER 4486CO 0.33 -4.20 1.47 -0.08 0.98 0.00 0.00 173.24 171.74 1mx5 h GLU 4487N -2.64 0.01 -0.22 4.02 4.57 -2.00 -2.73 114.58 115.59 1mx5 h GLU 4487Ca -0.43 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 57.63 1mx5 h GLU 4487Cb 1.28 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1mx5 h GLU 4487CO 0.29 0.78 -0.30 1.49 -1.18 0.00 0.00 179.01 180.10 1mx5 h GLU 4488N 0.00 0.60 -0.66 1.92 4.81 -2.00 -2.58 114.58 116.67 1mx5 h GLU 4488Ca -0.01 -0.34 -0.07 0.00 -0.13 0.00 0.00 59.36 58.80 1mx5 h GLU 4488Cb 1.38 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 1mx5 h GLU 4488CO 0.10 0.95 0.12 1.49 -0.73 0.00 0.00 179.01 180.94 1mx5 h GLU 4489N 0.29 1.08 -0.84 1.92 4.81 -1.91 -1.73 114.58 118.21 1mx5 h GLU 4489Ca 0.03 -0.28 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1mx5 h GLU 4489Cb 0.87 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.07 1mx5 h GLU 4489CO 0.07 0.98 0.53 0.82 -0.73 0.00 0.00 179.01 180.69 1mx5 h ILE 4490N 1.02 1.11 -0.50 2.32 2.04 -1.44 -1.81 117.51 120.25 1mx5 h ILE 4490Ca 0.20 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 1mx5 h ILE 4490Cb 0.41 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1mx5 h ILE 4490CO 0.01 0.19 -0.02 0.03 0.00 0.00 0.00 178.15 178.35 1mx5 h ARG 4491N 1.03 0.90 -0.29 2.37 3.08 -1.05 -2.16 114.38 118.25 1mx5 h ARG 4491Ca 0.34 -0.30 0.04 0.00 0.07 0.00 0.00 59.98 60.13 1mx5 h ARG 4491Cb 0.04 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1mx5 h ARG 4491CO -0.13 0.94 0.07 1.25 -1.07 0.00 0.00 179.97 181.03 1mx5 h LEU 4492N 0.76 0.04 -0.28 3.04 5.85 -0.75 -0.79 115.31 123.19 1mx5 h LEU 4492Ca 0.14 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1mx5 h LEU 4492Cb 0.55 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1mx5 h LEU 4492CO 0.03 0.06 0.17 -1.28 -0.34 0.00 0.00 178.44 177.08 1mx5 h SER 4493N 0.18 0.29 -0.57 1.25 0.87 -1.25 -0.06 113.55 114.27 1mx5 h SER 4493Ca 0.13 -0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.77 1mx5 h SER 4493Cb 0.13 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 61.96 1mx5 h SER 4493CO -0.17 0.21 0.23 0.11 -0.53 0.00 0.00 176.83 176.68 1mx5 h LYS 4494N 0.35 0.42 0.63 2.24 1.57 -0.92 -1.20 116.57 119.65 1mx5 h LYS 4494Ca 0.10 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1mx5 h LYS 4494Cb -0.02 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.20 1mx5 h LYS 4494CO -0.04 0.28 -0.30 1.98 -0.57 0.00 0.00 179.45 180.80 1mx5 h MET 4495N 0.43 -0.81 -1.00 3.15 4.05 -0.68 -2.74 114.93 117.33 1mx5 h MET 4495Ca 0.28 0.06 0.14 0.00 -0.28 0.00 0.00 59.70 59.89 1mx5 h MET 4495Cb 0.30 0.18 -0.09 0.00 -0.80 0.00 0.00 31.60 31.19 1mx5 h MET 4495CO -0.26 -0.51 0.63 0.28 0.23 0.00 0.00 176.91 177.28 1mx5 h VAL 4496N -0.94 0.87 -0.50 -5.77 2.07 -0.77 -0.91 116.25 110.29 1mx5 h VAL 4496Ca -0.09 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1mx5 h VAL 4496Cb 0.68 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1mx5 h VAL 4496CO 0.14 0.17 0.09 0.24 0.02 0.00 0.00 177.57 178.23 1mx5 h MET 4497N 0.94 0.78 -0.06 1.57 2.07 -1.15 0.49 114.93 119.58 1mx5 h MET 4497Ca 0.51 -0.17 -0.02 0.00 -2.07 0.00 0.00 59.70 57.96 1mx5 h MET 4497Cb 0.58 -0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 30.20 1mx5 h MET 4497CO -0.29 0.73 -0.03 0.87 1.07 0.00 0.00 176.91 179.26 1mx5 h LYS 4498N 0.75 0.14 -0.49 1.72 1.57 -0.90 0.50 116.57 119.85 1mx5 h LYS 4498Ca 0.16 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1mx5 h LYS 4498Cb 0.33 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.56 1mx5 h LYS 4498CO 0.00 0.52 0.04 0.74 -0.57 0.00 0.00 179.45 180.18 1mx5 h PHE 4499N -0.25 0.04 -0.09 -1.35 0.05 -1.11 1.07 116.94 115.30 1mx5 h PHE 4499Ca 0.01 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 1mx5 h PHE 4499Cb 0.48 0.06 -0.00 0.00 2.00 0.00 0.00 35.95 38.48 1mx5 h PHE 4499CO 0.07 -0.07 0.04 -1.49 -0.18 0.00 0.00 178.31 176.67 1mx5 h TRP 4500N 0.16 0.14 -0.05 -0.55 -0.00 -0.75 -1.68 115.95 113.21 1mx5 h TRP 4500Ca 0.25 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.89 59.01 1mx5 h TRP 4500Cb 0.36 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 1mx5 h TRP 4500CO -0.28 0.24 -0.51 0.00 -0.00 0.00 0.00 178.44 177.89 1mx5 h ALA 4501N 0.88 1.04 -0.23 1.49 0.00 0.73 -1.63 119.26 121.54 1mx5 h ALA 4501Ca 0.03 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1mx5 h ALA 4501Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1mx5 h ALA 4501CO -0.00 0.66 -0.48 -0.91 0.00 0.00 0.00 179.25 178.52 1mx5 h ASN 4502N 0.11 0.65 -0.18 0.00 2.35 0.12 -1.32 115.58 117.31 1mx5 h ASN 4502Ca 0.00 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1mx5 h ASN 4502Cb 0.95 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1mx5 h ASN 4502CO 0.07 1.02 0.07 0.15 -1.65 0.00 0.00 177.43 177.09 1mx5 h PHE 4503N 0.48 0.29 -0.49 1.19 3.57 -1.04 0.15 116.94 121.09 1mx5 h PHE 4503Ca 0.03 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1mx5 h PHE 4503Cb 1.01 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1mx5 h PHE 4503CO 0.04 0.36 0.33 0.00 -2.23 0.00 0.00 178.31 176.81 1mx5 h ALA 4504N 0.90 1.96 0.03 2.41 0.00 -1.07 1.02 119.26 124.50 1mx5 h ALA 4504Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1mx5 h ALA 4504Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1mx5 h ALA 4504CO -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.18 1mx5 h ARG 4505N 0.39 -0.04 0.00 0.00 3.08 -0.62 -3.42 114.38 113.77 1mx5 h ARG 4505Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1mx5 h ARG 4505Cb 0.35 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1mx5 h ARG 4505CO -0.05 0.24 -1.54 0.09 -1.07 0.00 0.00 179.97 177.63 1mx5 n ASN 4506N -4.76 0.83 0.00 7.04 3.02 0.49 -4.96 115.26 116.91 1mx5 n ASN 4506Ca -0.03 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1mx5 n ASN 4506Cb 0.14 1.59 0.00 0.00 -0.61 0.00 0.00 39.78 40.90 1mx5 n ASN 4506CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx5 n GLY 4507N 1.45 0.54 3.05 7.41 0.00 0.35 -5.02 105.19 112.97 1mx5 n GLY 4507Ca -0.01 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 1mx5 n GLY 4507CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mx5 s ASN 4508N -2.74 0.10 0.21 1.61 3.84 -1.25 -4.89 114.94 111.81 1mx5 s ASN 4508Ca 0.00 0.61 -0.04 0.00 0.21 0.00 0.00 52.86 53.64 1mx5 s ASN 4508Cb 0.00 0.65 0.18 0.00 -0.55 0.00 0.00 41.25 41.53 1mx5 s ASN 4508CO 0.00 -0.22 1.61 1.55 -2.79 0.00 0.00 177.10 177.26 1mx5 h PRO 4509N 7.90 0.73 -6.49 0.43 0.13 -1.81 -3.14 132.00 129.75 1mx5 h PRO 4509Ca -0.23 -0.32 -0.60 0.00 -0.87 0.00 0.00 66.00 63.98 1mx5 h PRO 4509Cb 1.13 -0.02 0.12 0.00 0.13 0.00 0.00 31.00 32.36 1mx5 h PRO 4509CO 0.21 0.92 0.05 0.09 -0.23 0.00 0.00 178.00 179.04 1mx5 n ASN 4510N -4.09 0.92 -3.77 1.44 3.02 -1.26 -4.47 115.26 107.05 1mx5 n ASN 4510Ca -0.01 1.10 -0.05 0.00 -0.03 0.00 0.00 54.58 55.60 1mx5 n ASN 4510Cb 0.46 -1.27 -0.01 0.00 -0.61 0.00 0.00 39.78 38.34 1mx5 n ASN 4510CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1mx5 s GLY 4511N -0.68 -0.15 0.32 7.41 0.00 -1.26 -4.97 107.32 107.98 1mx5 s GLY 4511Ca 0.61 -0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.96 1mx5 s GLY 4511CO 0.59 0.01 1.26 -1.83 0.00 0.00 0.00 173.10 173.12 1mx5 s GLU 4512N -3.49 4.42 0.00 2.90 -1.05 -1.26 -2.68 118.70 117.55 1mx5 s GLU 4512Ca 0.12 2.12 0.00 0.00 -0.15 0.00 0.00 54.97 57.06 1mx5 s GLU 4512Cb -0.03 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.56 1mx5 s GLU 4512CO 0.04 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.57 1mx5 n GLY 4513N 0.91 0.80 3.44 -3.83 0.00 -1.26 -5.03 105.19 100.23 1mx5 n GLY 4513Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1mx5 n GLY 4513CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mx5 s LEU 4514N 0.00 2.57 0.32 0.99 1.43 -1.09 -5.09 118.68 117.80 1mx5 s LEU 4514Ca 0.00 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 1mx5 s LEU 4514Cb 0.00 -1.50 -0.12 0.00 0.03 0.00 0.00 46.19 44.60 1mx5 s LEU 4514CO 0.00 0.27 1.42 -2.65 0.23 0.00 0.00 176.35 175.62 1mx5 n PRO 4515N 1.74 2.35 -1.72 1.29 -0.02 -1.26 -4.73 135.00 132.64 1mx5 n PRO 4515Ca -0.16 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1mx5 n PRO 4515Cb 0.52 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1mx5 n PRO 4515CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mx5 s HIS 4516N -0.67 2.24 -0.34 6.00 2.46 -1.26 -4.91 115.29 118.81 1mx5 s HIS 4516Ca 0.59 0.03 -0.06 0.00 0.47 0.00 0.00 55.06 56.10 1mx5 s HIS 4516Cb -0.55 -4.17 0.05 0.00 -0.13 0.00 0.00 32.58 27.78 1mx5 s HIS 4516CO 0.57 -4.77 0.11 -0.46 -2.47 0.00 0.00 174.74 167.72 1mx5 s TRP 4517N 2.55 3.28 0.64 3.88 -0.11 -1.26 -4.35 118.94 123.57 1mx5 s TRP 4517Ca 0.80 -1.54 -0.16 0.00 1.22 0.00 0.00 56.10 56.42 1mx5 s TRP 4517Cb -0.46 -2.35 -0.01 0.00 -1.50 0.00 0.00 33.47 29.15 1mx5 s TRP 4517CO 0.36 -0.76 1.12 -1.25 -4.62 0.00 0.00 176.95 171.80 1mx5 s PRO 4518N 1.37 2.85 0.31 5.86 0.04 -1.26 -4.74 135.00 139.43 1mx5 s PRO 4518Ca -0.01 1.47 -0.27 0.00 0.04 0.00 0.00 61.00 62.23 1mx5 s PRO 4518Cb -0.20 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1mx5 s PRO 4518CO 0.02 -1.22 0.95 -2.00 0.04 0.00 0.00 177.00 174.79 1mx5 s GLU 4519N -3.92 4.60 -1.11 4.56 2.12 -1.26 -4.62 118.70 119.07 1mx5 s GLU 4519Ca 0.69 1.37 -0.22 0.00 0.36 0.00 0.00 54.97 57.17 1mx5 s GLU 4519Cb -0.22 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.33 1mx5 s GLU 4519CO 0.39 0.29 1.70 -0.47 -0.54 0.00 0.00 175.26 176.63 1mx5 s TYR 4520N -1.55 2.40 0.00 5.30 5.04 0.51 -4.35 117.35 124.70 1mx5 s TYR 4520Ca 0.49 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 1mx5 s TYR 4520Cb -0.20 -4.50 0.00 0.00 0.35 0.00 0.00 41.96 37.61 1mx5 s TYR 4520CO 0.25 -1.75 0.00 0.27 -1.34 0.00 0.00 175.55 172.98 1mx5 n ASN 4521N 10.44 0.00 0.22 4.32 0.23 -1.26 -4.56 115.26 124.65 1mx5 n ASN 4521Ca 0.41 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.55 1mx5 n ASN 4521Cb 0.48 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.66 1mx5 n ASN 4521CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1mx5 h GLN 4522N 0.00 0.00 0.00 -3.83 1.08 -2.00 -2.10 115.11 108.26 1mx5 h GLN 4522Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1mx5 h GLN 4522Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1mx5 h GLN 4522CO 0.00 0.24 0.00 0.87 -0.95 0.00 0.00 178.83 178.99 1mx5 h LYS 4523N 0.00 0.00 -5.52 1.46 1.57 -1.94 -3.47 116.57 108.67 1mx5 h LYS 4523Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1mx5 h LYS 4523Cb 0.70 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.14 1mx5 h LYS 4523CO 0.03 0.00 -0.64 0.39 -0.57 0.00 0.00 179.45 178.66 1mx5 n GLU 4524N -2.87 -7.40 -2.44 3.15 1.02 -0.79 -4.04 120.64 107.27 1mx5 n GLU 4524Ca 0.02 0.78 -0.38 0.00 -0.02 0.00 0.00 57.16 57.55 1mx5 n GLU 4524Cb 0.34 -5.66 -0.04 0.00 -0.02 0.00 0.00 31.44 26.06 1mx5 n GLU 4524CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx5 s GLY 4525N -3.36 2.90 0.10 0.62 0.00 -1.26 -1.54 107.32 104.79 1mx5 s GLY 4525Ca 0.52 0.86 -0.11 0.00 0.00 0.00 0.00 44.72 45.98 1mx5 s GLY 4525CO 0.68 1.38 0.27 -2.52 0.00 0.00 0.00 173.10 172.91 1mx5 s TYR 4526N -1.39 0.02 -0.18 1.90 -0.85 0.20 -3.96 117.35 113.09 1mx5 s TYR 4526Ca 0.52 -0.41 -0.14 0.00 -0.52 0.00 0.00 57.07 56.52 1mx5 s TYR 4526Cb -0.28 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 1mx5 s TYR 4526CO 0.36 -0.60 0.31 -1.17 -1.52 0.00 0.00 175.55 172.93 1mx5 s LEU 4527N -2.83 4.21 -0.33 -3.49 2.96 -0.95 -0.75 118.68 117.50 1mx5 s LEU 4527Ca 0.04 0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 54.24 1mx5 s LEU 4527Cb 0.04 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 1mx5 s LEU 4527CO -0.11 0.04 0.57 -1.10 -1.32 0.00 0.00 176.35 174.43 1mx5 s GLN 4528N 0.76 3.75 -0.24 1.98 -0.21 -0.68 -1.16 119.66 123.86 1mx5 s GLN 4528Ca 0.16 0.05 -0.08 0.00 0.02 0.00 0.00 55.36 55.51 1mx5 s GLN 4528Cb -0.14 -3.77 -0.04 0.00 1.00 0.00 0.00 33.01 30.07 1mx5 s GLN 4528CO 0.05 -0.62 0.09 0.42 -2.12 0.00 0.00 175.29 173.11 1mx5 s ILE 4529N 2.52 4.61 0.00 1.08 1.01 0.99 -2.11 121.20 129.30 1mx5 s ILE 4529Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1mx5 s ILE 4529Cb -0.15 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1mx5 s ILE 4529CO 0.13 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1mx5 n GLY 4530N 4.62 1.12 0.28 6.18 0.00 -1.26 -0.06 105.19 116.07 1mx5 n GLY 4530Ca -0.16 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.34 1mx5 n GLY 4530CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 h ALA 4531N 2.00 0.97 -3.04 4.61 0.00 -1.96 -3.28 119.26 118.56 1mx5 h ALA 4531Ca 0.00 0.21 -0.65 0.00 0.00 0.00 0.00 54.91 54.47 1mx5 h ALA 4531Cb 0.00 0.33 -0.26 0.00 0.00 0.00 0.00 17.79 17.85 1mx5 h ALA 4531CO 0.00 -0.41 -0.71 -0.80 0.00 0.00 0.00 179.25 177.33 1mx5 s ASN 4532N -5.18 4.43 -0.18 0.00 0.01 -1.26 -5.07 114.94 107.69 1mx5 s ASN 4532Ca -0.13 -0.34 -0.02 0.00 -0.71 0.00 0.00 52.86 51.66 1mx5 s ASN 4532Cb 0.23 -1.76 -0.01 0.00 0.41 0.00 0.00 41.25 40.12 1mx5 s ASN 4532CO 0.76 0.01 -0.08 -0.89 -1.51 0.00 0.00 177.10 175.39 1mx5 s THR 4533N 1.32 3.26 -0.06 1.60 2.01 -1.24 -4.63 115.64 117.90 1mx5 s THR 4533Ca 0.04 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 1mx5 s THR 4533Cb -0.14 -2.44 0.08 0.00 0.01 0.00 0.00 72.50 70.01 1mx5 s THR 4533CO -0.01 0.47 0.76 0.00 -0.69 0.00 0.00 174.62 175.14 1mx5 s GLN 4534N 0.98 0.96 0.77 4.92 0.00 -0.90 -4.94 119.66 121.46 1mx5 s GLN 4534Ca -0.01 0.15 -0.11 0.00 -0.00 0.00 0.00 55.36 55.39 1mx5 s GLN 4534Cb -0.15 0.45 0.06 0.00 0.00 0.00 0.00 33.01 33.37 1mx5 s GLN 4534CO -0.00 -0.32 1.11 0.00 0.00 0.00 0.00 175.29 176.08 1mx5 s ALA 4535N -1.47 2.17 0.33 2.60 0.00 -1.26 -1.68 121.76 122.45 1mx5 s ALA 4535Ca -0.07 0.39 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 1mx5 s ALA 4535Cb -0.00 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.84 1mx5 s ALA 4535CO 0.05 -1.84 0.60 0.00 0.00 0.00 0.00 175.76 174.57 1mx5 n ALA 4536N -3.41 -1.15 -2.18 0.00 0.00 0.08 -4.84 120.51 109.02 1mx5 n ALA 4536Ca 0.10 -1.18 -0.11 0.00 0.00 0.00 0.00 53.44 52.25 1mx5 n ALA 4536Cb 0.53 0.95 -0.10 0.00 0.00 0.00 0.00 19.45 20.82 1mx5 n ALA 4536CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mx5 s GLN 4537N -2.26 0.89 -0.99 0.00 -0.21 -1.26 -0.62 119.66 115.19 1mx5 s GLN 4537Ca 0.17 -1.38 -0.10 0.00 0.02 0.00 0.00 55.36 54.07 1mx5 s GLN 4537Cb -0.03 -0.12 -0.03 0.00 1.00 0.00 0.00 33.01 33.84 1mx5 s GLN 4537CO 0.13 -0.09 0.80 1.63 -2.12 0.00 0.00 175.29 175.64 1mx5 n LYS 4538N -0.08 -1.60 -2.07 2.91 5.02 -0.59 -4.93 118.16 116.82 1mx5 n LYS 4538Ca -0.10 0.85 -0.42 0.00 -2.02 0.00 0.00 58.31 56.62 1mx5 n LYS 4538Cb 0.62 -4.90 -0.03 0.00 -0.02 0.00 0.00 35.03 30.69 1mx5 n LYS 4538CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1mx5 s LEU 4539N -5.44 4.37 -0.54 -0.35 2.96 -1.26 -2.90 118.68 115.52 1mx5 s LEU 4539Ca 0.33 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 1mx5 s LEU 4539Cb -0.08 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1mx5 s LEU 4539CO 0.80 -0.73 0.00 0.29 -1.32 0.00 0.00 176.35 175.39 1mx5 n LYS 4540N 4.15 -1.85 -0.08 1.98 4.76 -1.26 -4.82 118.16 121.04 1mx5 n LYS 4540Ca 0.13 0.30 -0.08 0.00 -2.87 0.00 0.00 58.31 55.78 1mx5 n LYS 4540Cb 0.41 -4.62 -0.02 0.00 -1.84 0.00 0.00 35.03 28.96 1mx5 n LYS 4540CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1mx5 h ASP 4541N 0.00 -1.01 -0.29 4.39 -0.00 -1.92 0.34 116.42 117.93 1mx5 h ASP 4541Ca -0.12 0.17 -0.01 0.00 -0.00 0.00 0.00 57.03 57.07 1mx5 h ASP 4541Cb 0.72 0.46 -0.01 0.00 -0.00 0.00 0.00 39.33 40.50 1mx5 h ASP 4541CO 0.16 -0.32 0.14 0.11 -0.00 0.00 0.00 179.24 179.33 1mx5 h LYS 4542N -0.29 0.41 -0.12 0.28 1.57 -1.87 -2.45 116.57 114.11 1mx5 h LYS 4542Ca 0.15 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1mx5 h LYS 4542Cb 0.53 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 1mx5 h LYS 4542CO -0.47 0.40 -0.17 0.93 -0.57 0.00 0.00 179.45 179.57 1mx5 h GLU 4543N 0.33 -0.22 -0.76 3.15 3.07 -1.79 0.49 114.58 118.86 1mx5 h GLU 4543Ca 0.10 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.07 1mx5 h GLU 4543Cb 0.12 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.01 1mx5 h GLU 4543CO -0.01 -0.14 0.40 0.28 -1.40 0.00 0.00 179.01 178.14 1mx5 h VAL 4544N -0.22 0.87 -0.14 3.13 2.07 -0.90 0.23 116.25 121.28 1mx5 h VAL 4544Ca 0.09 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1mx5 h VAL 4544Cb 0.36 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1mx5 h VAL 4544CO -0.25 0.12 -0.00 0.00 0.02 0.00 0.00 177.57 177.47 1mx5 h ALA 4545N 1.44 0.12 -0.13 1.67 0.00 -0.76 0.13 119.26 121.74 1mx5 h ALA 4545Ca 0.37 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1mx5 h ALA 4545Cb 0.37 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1mx5 h ALA 4545CO -0.26 -0.45 0.07 0.35 0.00 0.00 0.00 179.25 178.96 1mx5 h PHE 4546N 0.05 0.18 -0.02 0.00 3.57 -0.10 -2.76 116.94 117.86 1mx5 h PHE 4546Ca 0.07 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1mx5 h PHE 4546Cb 0.08 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1mx5 h PHE 4546CO -0.15 0.21 -0.46 -1.49 -2.23 0.00 0.00 178.31 174.20 1mx5 h TRP 4547N 0.10 0.06 -0.26 0.41 4.06 -0.86 -1.18 115.95 118.29 1mx5 h TRP 4547Ca 0.05 -0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.91 1mx5 h TRP 4547Cb 0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 1mx5 h TRP 4547CO -0.04 0.50 -0.15 1.15 -3.56 0.00 0.00 178.44 176.35 1mx5 h THR 4548N 0.05 1.23 0.11 1.49 2.02 -0.60 -1.74 112.91 115.46 1mx5 h THR 4548Ca 0.00 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1mx5 h THR 4548Cb 0.83 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1mx5 h THR 4548CO 0.06 0.33 -0.05 0.78 0.37 0.00 0.00 175.52 177.01 1mx5 h ASN 4549N 0.40 -0.12 -0.87 4.18 4.21 -1.17 -2.75 115.58 119.46 1mx5 h ASN 4549Ca 0.07 -0.41 0.20 0.00 1.21 0.00 0.00 56.30 57.38 1mx5 h ASN 4549Cb 0.50 0.03 -0.12 0.00 -1.12 0.00 0.00 38.32 37.62 1mx5 h ASN 4549CO 0.03 0.50 0.36 0.25 -1.29 0.00 0.00 177.43 177.28 1mx5 h LEU 4550N -0.91 0.29 0.00 1.61 5.85 -1.22 0.51 115.31 121.44 1mx5 h LEU 4550Ca -0.02 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1mx5 h LEU 4550Cb 0.53 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1mx5 h LEU 4550CO 0.02 0.01 0.00 0.49 -0.34 0.00 0.00 178.44 178.62 1mx5 n PHE 4551N -5.05 0.00 1.61 1.25 0.99 -0.66 -1.98 117.46 113.62 1mx5 n PHE 4551Ca 0.20 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.80 1mx5 n PHE 4551Cb 0.60 -0.26 0.80 0.00 -1.00 0.00 0.00 39.48 39.63 1mx5 n PHE 4551CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1mx5 n ALA 4552N -1.26 2.51 -0.77 4.37 0.00 0.18 -5.07 120.51 120.47 1mx5 n ALA 4552Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1mx5 n ALA 4552Cb 0.22 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1mx5 n ALA 4552CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67