#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a49 n GLN 4213N 0.00 1.13 -2.23 0.38 6.02 -1.26 -4.85 117.38 116.57 1a49 n GLN 4213Ca 0.00 0.42 -0.26 0.00 -0.01 0.00 0.00 57.00 57.15 1a49 n GLN 4213Cb 0.00 -2.14 0.09 0.00 1.02 0.00 0.00 30.24 29.21 1a49 n GLN 4213CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1a49 s THR 4214N -1.42 2.22 -1.58 5.09 -4.23 -1.26 -4.42 115.64 110.04 1a49 s THR 4214Ca 0.70 -0.29 -0.15 0.00 -1.18 0.00 0.00 61.69 60.77 1a49 s THR 4214Cb -0.47 -2.93 0.10 0.00 1.34 0.00 0.00 72.50 70.55 1a49 s THR 4214CO 0.51 0.00 0.95 1.67 -0.54 0.00 0.00 174.62 177.21 1a49 n GLN 4215N -3.02 -5.01 -2.99 3.99 7.27 0.11 -2.05 117.38 115.68 1a49 n GLN 4215Ca 0.10 0.55 -0.14 0.00 0.07 0.00 0.00 57.00 57.57 1a49 n GLN 4215Cb 0.60 -5.41 -0.01 0.00 2.41 0.00 0.00 30.24 27.83 1a49 n GLN 4215CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1a49 n GLN 4216N -4.62 -2.63 0.27 3.69 1.13 -1.26 -4.80 117.38 109.17 1a49 n GLN 4216Ca 0.05 0.26 0.14 0.00 -1.94 0.00 0.00 57.00 55.52 1a49 n GLN 4216Cb 0.52 -4.85 0.78 0.00 0.11 0.00 0.00 30.24 26.80 1a49 n GLN 4216CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a49 h LEU 4217N -0.37 0.00 -0.16 1.08 3.38 -1.69 0.27 115.31 117.83 1a49 h LEU 4217Ca -0.25 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.54 1a49 h LEU 4217Cb 1.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.93 1a49 h LEU 4217CO 0.33 0.09 -0.59 -0.74 0.09 0.00 0.00 178.44 177.62 1a49 h HIS 4218N 0.00 0.89 -0.03 1.13 2.76 -1.87 -3.16 115.15 114.88 1a49 h HIS 4218Ca -0.00 -0.38 -0.15 0.00 -2.20 0.00 0.00 60.37 57.64 1a49 h HIS 4218Cb 0.29 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1a49 h HIS 4218CO 0.00 1.18 -0.68 0.00 -1.30 0.00 0.00 177.93 177.12 1a49 h ALA 4219N 0.54 0.80 -0.24 5.26 0.00 -1.57 -2.09 119.26 121.97 1a49 h ALA 4219Ca -0.03 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.34 1a49 h ALA 4219Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1a49 h ALA 4219CO 0.12 0.81 0.27 0.00 0.00 0.00 0.00 179.25 180.45 1a49 h ALA 4220N 1.20 1.87 -0.00 0.00 0.00 -0.47 -2.06 119.26 119.80 1a49 h ALA 4220Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a49 h ALA 4220Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1a49 h ALA 4220CO 0.10 -0.39 -0.36 -1.33 0.00 0.00 0.00 179.25 177.27 1a49 n MET 4221N -3.75 0.17 -0.79 0.00 2.81 -0.78 -4.69 117.12 110.07 1a49 n MET 4221Ca 0.03 -0.08 -0.32 0.00 -1.81 0.00 0.00 57.70 55.51 1a49 n MET 4221Cb 0.40 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.55 1a49 n MET 4221CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a49 n ALA 4222N -1.34 -1.44 -0.07 3.04 0.00 -0.78 -4.95 120.51 114.98 1a49 n ALA 4222Ca 0.07 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 52.89 1a49 n ALA 4222Cb 0.33 -2.04 -0.15 0.00 0.00 0.00 0.00 19.45 17.60 1a49 n ALA 4222CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a49 n ASP 4223N -2.85 0.32 -4.50 0.00 8.00 -1.26 -4.91 116.55 111.35 1a49 n ASP 4223Ca 0.10 0.15 -0.24 0.00 0.71 0.00 0.00 54.79 55.51 1a49 n ASP 4223Cb 0.52 0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 42.18 1a49 n ASP 4223CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a49 s THR 4224N -2.58 2.09 0.17 -3.53 -4.23 -1.26 -5.03 115.64 101.27 1a49 s THR 4224Ca -0.08 -2.21 -0.11 0.00 -1.18 0.00 0.00 61.69 58.11 1a49 s THR 4224Cb 0.07 -2.54 0.08 0.00 1.34 0.00 0.00 72.50 71.45 1a49 s THR 4224CO 0.83 -0.26 1.70 0.15 -0.54 0.00 0.00 174.62 176.50 1a49 h PHE 4225N 2.13 0.99 -0.15 3.99 3.57 -1.99 -0.22 116.94 125.26 1a49 h PHE 4225Ca -0.41 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.03 1a49 h PHE 4225Cb 1.25 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1a49 h PHE 4225CO 0.75 0.81 -0.11 1.25 -2.23 0.00 0.00 178.31 178.79 1a49 h LEU 4226N 0.87 -0.34 -1.51 0.59 5.85 -2.00 -1.23 115.31 117.54 1a49 h LEU 4226Ca 0.20 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1a49 h LEU 4226Cb 0.30 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1a49 h LEU 4226CO -0.01 -0.14 0.30 -0.08 -0.34 0.00 0.00 178.44 178.17 1a49 h GLU 4227N -0.11 0.62 -0.08 1.25 4.81 -1.86 -1.51 114.58 117.69 1a49 h GLU 4227Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1a49 h GLU 4227Cb 0.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1a49 h GLU 4227CO -0.22 0.42 0.04 1.25 -0.73 0.00 0.00 179.01 179.78 1a49 h HIS 4228N 0.64 0.07 -0.27 0.92 2.76 -0.08 -2.53 115.15 116.66 1a49 h HIS 4228Ca 0.17 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1a49 h HIS 4228Cb -0.05 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1a49 h HIS 4228CO 0.00 0.04 0.17 0.52 -1.30 0.00 0.00 177.93 177.36 1a49 h MET 4229N 0.08 0.37 -0.18 5.26 2.86 -0.52 -1.88 114.93 120.91 1a49 h MET 4229Ca 0.03 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1a49 h MET 4229Cb 0.00 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1a49 h MET 4229CO -0.02 0.28 0.24 0.00 1.06 0.00 0.00 176.91 178.47 1a49 n ARG 4231N -3.64 0.81 -1.96 0.00 1.74 -0.71 -4.89 116.66 108.01 1a49 n ARG 4231Ca 0.02 -0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 56.23 1a49 n ARG 4231Cb 0.36 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 1a49 n ARG 4231CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a49 s LEU 4232N -2.50 4.38 -0.16 0.55 1.43 -0.45 -4.49 118.68 117.44 1a49 s LEU 4232Ca 0.25 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 1a49 s LEU 4232Cb 0.19 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.83 1a49 s LEU 4232CO 0.51 -0.77 -0.10 -0.62 0.23 0.00 0.00 176.35 175.60 1a49 s ASP 4233N 0.67 2.84 0.45 2.29 -1.08 -1.26 -5.01 116.67 115.57 1a49 s ASP 4233Ca 0.64 -0.61 0.31 0.00 -0.52 0.00 0.00 52.55 52.37 1a49 s ASP 4233Cb -0.43 -1.09 1.54 0.00 -1.46 0.00 0.00 42.92 41.48 1a49 s ASP 4233CO 0.39 -0.12 1.94 0.16 0.52 0.00 0.00 175.17 178.07 1a49 h ILE 4234N 6.23 0.00 -0.01 4.11 3.07 -2.02 -0.18 117.51 128.70 1a49 h ILE 4234Ca -0.31 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1a49 h ILE 4234Cb 1.12 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1a49 h ILE 4234CO 0.47 0.00 -0.20 0.47 -1.05 0.00 0.00 178.15 177.84 1a49 n ASP 4235N -2.65 1.57 -4.54 2.16 8.00 -1.26 -4.76 116.55 115.08 1a49 n ASP 4235Ca -0.01 -1.30 -0.43 0.00 0.71 0.00 0.00 54.79 53.76 1a49 n ASP 4235Cb 0.13 0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 1a49 n ASP 4235CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a49 s SER 4236N -2.30 6.40 0.20 -2.24 0.15 -0.08 -4.93 113.70 110.89 1a49 s SER 4236Ca 0.27 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.44 1a49 s SER 4236Cb 0.20 -2.44 -0.09 0.00 -1.71 0.00 0.00 66.02 61.98 1a49 s SER 4236CO 0.45 -1.14 1.28 0.00 1.20 0.00 0.00 173.24 175.03 1a49 s ALA 4237N 3.83 3.51 0.85 5.45 0.00 -1.26 -4.35 121.76 129.78 1a49 s ALA 4237Ca 0.32 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 1a49 s ALA 4237Cb -0.12 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 19.64 1a49 s ALA 4237CO 0.22 -0.50 1.09 -1.25 0.00 0.00 0.00 175.76 175.32 1a49 s PRO 4238N -0.23 1.66 0.84 0.00 0.04 -1.26 0.03 135.00 136.08 1a49 s PRO 4238Ca 0.55 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 1a49 s PRO 4238Cb -0.36 -1.86 0.10 0.00 0.04 0.00 0.00 34.50 32.42 1a49 s PRO 4238CO 0.39 -1.95 1.18 0.96 0.04 0.00 0.00 177.00 177.62 1a49 s ILE 4239N -3.02 2.00 0.09 0.56 -4.36 -1.26 -4.82 121.20 110.38 1a49 s ILE 4239Ca 0.62 0.00 -0.18 0.00 -0.26 0.00 0.00 60.65 60.84 1a49 s ILE 4239Cb -0.16 -2.96 -0.08 0.00 1.25 0.00 0.00 42.46 40.50 1a49 s ILE 4239CO 0.56 0.00 1.48 0.71 0.24 0.00 0.00 174.94 177.93 1a49 h THR 4240N -1.16 1.28 -3.63 8.37 1.35 -1.95 -3.45 112.91 113.72 1a49 h THR 4240Ca -0.46 -1.08 -0.52 0.00 -0.55 0.00 0.00 66.41 63.80 1a49 h THR 4240Cb 1.32 1.43 0.04 0.00 -1.73 0.00 0.00 68.15 69.22 1a49 h THR 4240CO 0.63 0.34 0.60 0.00 -0.25 0.00 0.00 175.52 176.84 1a49 s ALA 4241N -4.78 3.48 -0.21 6.62 0.00 -1.26 -5.04 121.76 120.58 1a49 s ALA 4241Ca -0.13 1.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 1a49 s ALA 4241Cb 0.08 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1a49 s ALA 4241CO 0.77 -0.47 -0.10 0.50 0.00 0.00 0.00 175.76 176.45 1a49 s ARG 4242N -0.91 3.21 0.11 0.00 3.52 -1.26 -4.90 118.95 118.72 1a49 s ARG 4242Ca 0.51 -0.72 0.09 0.00 -0.13 0.00 0.00 55.73 55.49 1a49 s ARG 4242Cb -0.36 -2.84 -0.17 0.00 -1.56 0.00 0.00 34.95 30.01 1a49 s ARG 4242CO 0.43 -0.21 1.18 -0.91 -0.81 0.00 0.00 175.30 174.98 1a49 h ASN 4243N 8.04 0.00 -2.98 -2.12 -0.26 -1.91 -3.46 115.58 112.89 1a49 h ASN 4243Ca -0.43 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 54.74 1a49 h ASN 4243Cb 1.15 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.36 1a49 h ASN 4243CO 0.62 0.92 0.85 -0.89 -1.06 0.00 0.00 177.43 177.86 1a49 s THR 4244N -2.73 4.42 0.43 2.81 2.01 -1.26 -1.01 115.64 120.30 1a49 s THR 4244Ca 0.00 1.72 -0.25 0.00 0.31 0.00 0.00 61.69 63.47 1a49 s THR 4244Cb 0.09 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.42 1a49 s THR 4244CO 0.81 -0.14 1.25 -0.83 -0.69 0.00 0.00 174.62 175.03 1a49 s GLY 4245N 1.68 2.88 -0.19 4.40 0.00 -0.98 -4.86 107.32 110.25 1a49 s GLY 4245Ca 0.51 1.13 -0.01 0.00 0.00 0.00 0.00 44.72 46.35 1a49 s GLY 4245CO 0.12 1.67 -0.13 -0.42 0.00 0.00 0.00 173.10 174.34 1a49 s ILE 4246N -1.35 2.66 -0.25 0.90 1.01 -1.26 -0.46 121.20 122.45 1a49 s ILE 4246Ca 0.59 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 1a49 s ILE 4246Cb -0.35 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1a49 s ILE 4246CO 0.44 0.49 0.04 -0.63 0.00 0.00 0.00 174.94 175.29 1a49 s ILE 4247N 1.28 4.02 -0.22 2.92 1.01 0.05 -1.87 121.20 128.38 1a49 s ILE 4247Ca 0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1a49 s ILE 4247Cb -0.14 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1a49 s ILE 4247CO -0.07 0.31 -0.02 0.00 0.00 0.00 0.00 174.94 175.16 1a49 s THR 4249N 1.44 3.60 -0.11 0.00 2.01 -0.47 -1.31 115.64 120.79 1a49 s THR 4249Ca 0.05 0.71 -0.18 0.00 0.31 0.00 0.00 61.69 62.58 1a49 s THR 4249Cb -0.14 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1a49 s THR 4249CO -0.01 -0.10 0.48 -0.63 -0.69 0.00 0.00 174.62 173.67 1a49 s ILE 4250N 4.31 5.18 0.00 1.82 -1.09 0.19 -2.43 121.20 129.18 1a49 s ILE 4250Ca 0.74 0.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 1a49 s ILE 4250Cb -0.32 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1a49 s ILE 4250CO 0.29 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 1a49 n GLY 4251N 3.20 3.61 0.37 6.18 0.00 -1.25 -4.71 105.19 112.58 1a49 n GLY 4251Ca -0.07 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.20 1a49 n GLY 4251CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a49 h PRO 4252N 0.00 0.69 0.00 1.61 0.11 -1.73 1.10 132.00 133.77 1a49 h PRO 4252Ca 0.00 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1a49 h PRO 4252Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1a49 h PRO 4252CO 0.00 0.45 -0.24 0.00 -0.21 0.00 0.00 178.00 178.00 1a49 h ALA 4253N 1.63 0.88 0.00 -0.75 0.00 0.44 -3.35 119.26 118.10 1a49 h ALA 4253Ca 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1a49 h ALA 4253Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1a49 h ALA 4253CO -0.32 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 1a49 n SER 4254N -3.20 0.97 0.25 0.00 3.41 0.71 -4.83 113.62 110.93 1a49 n SER 4254Ca 0.02 -1.15 0.09 0.00 -0.26 0.00 0.00 58.87 57.57 1a49 n SER 4254Cb 0.58 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 65.17 1a49 n SER 4254CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a49 h ARG 4255N 0.00 0.00 -6.80 4.33 3.08 0.92 -3.36 114.38 112.55 1a49 h ARG 4255Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1a49 h ARG 4255Cb 0.18 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.25 1a49 h ARG 4255CO 0.00 0.07 0.48 -1.54 -1.07 0.00 0.00 179.97 177.92 1a49 s SER 4256N -6.81 7.25 0.44 7.04 1.04 -1.26 -4.81 113.70 116.60 1a49 s SER 4256Ca -0.04 2.27 0.24 0.00 0.48 0.00 0.00 55.95 58.90 1a49 s SER 4256Cb 0.16 -2.63 1.25 0.00 0.10 0.00 0.00 66.02 64.90 1a49 s SER 4256CO 0.65 -0.16 1.79 0.58 0.98 0.00 0.00 173.24 177.08 1a49 h VAL 4257N 3.15 0.50 -0.09 5.02 2.07 -1.89 0.44 116.25 125.44 1a49 h VAL 4257Ca -0.47 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 1a49 h VAL 4257Cb 1.21 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1a49 h VAL 4257CO 0.67 0.05 -0.37 -0.08 0.02 0.00 0.00 177.57 177.87 1a49 h GLU 4258N 0.26 0.41 -0.40 1.57 4.81 -1.94 -2.69 114.58 116.61 1a49 h GLU 4258Ca 0.57 -0.32 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1a49 h GLU 4258Cb 1.71 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.14 1a49 h GLU 4258CO -0.20 0.95 -0.19 1.15 -0.73 0.00 0.00 179.01 179.99 1a49 h THR 4259N -0.04 1.28 -0.73 0.32 2.02 -1.35 -3.20 112.91 111.20 1a49 h THR 4259Ca -0.02 -1.32 0.07 0.00 0.77 0.00 0.00 66.41 65.92 1a49 h THR 4259Cb 1.00 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.64 1a49 h THR 4259CO 0.08 0.44 0.41 -0.07 0.37 0.00 0.00 175.52 176.75 1a49 h LEU 4260N 0.63 0.59 -1.63 2.58 3.38 -0.26 0.29 115.31 120.90 1a49 h LEU 4260Ca 0.09 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1a49 h LEU 4260Cb 0.74 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1a49 h LEU 4260CO 0.06 0.36 0.29 0.11 0.09 0.00 0.00 178.44 179.35 1a49 h LYS 4261N 0.73 0.47 -0.16 1.13 1.57 -1.50 -0.35 116.57 118.46 1a49 h LYS 4261Ca 0.34 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.94 1a49 h LYS 4261Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1a49 h LYS 4261CO -0.21 0.31 -0.53 0.93 -0.57 0.00 0.00 179.45 179.38 1a49 h GLU 4262N 0.49 0.48 -0.21 3.15 4.39 -0.48 -1.91 114.58 120.49 1a49 h GLU 4262Ca 0.17 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1a49 h GLU 4262Cb 0.09 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1a49 h GLU 4262CO -0.04 0.89 0.13 0.52 -1.16 0.00 0.00 179.01 179.34 1a49 h MET 4263N 0.37 0.28 0.55 2.33 2.86 0.03 0.30 114.93 121.65 1a49 h MET 4263Ca 0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1a49 h MET 4263Cb 1.06 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 1a49 h MET 4263CO 0.10 0.23 -0.36 0.82 1.06 0.00 0.00 176.91 178.76 1a49 h ILE 4264N 0.25 0.00 -0.96 -1.22 2.04 -1.01 0.17 117.51 116.78 1a49 h ILE 4264Ca 0.07 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.24 1a49 h ILE 4264Cb 0.02 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.94 1a49 h ILE 4264CO -0.01 0.00 0.32 0.11 0.00 0.00 0.00 178.15 178.56 1a49 h LYS 4265N -0.85 0.12 0.00 2.37 1.57 -1.29 0.46 116.57 118.96 1a49 h LYS 4265Ca -0.07 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1a49 h LYS 4265Cb 0.69 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1a49 h LYS 4265CO 0.06 0.08 -0.29 0.77 -0.57 0.00 0.00 179.45 179.50 1a49 h SER 4266N 0.13 0.00 0.00 0.86 0.02 0.14 -3.46 113.55 111.24 1a49 h SER 4266Ca 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.62 1a49 h SER 4266Cb 1.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1a49 h SER 4266CO -0.74 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 175.85 1a49 n GLY 4267N -0.27 0.54 3.71 -3.77 0.00 0.16 -4.44 105.19 101.12 1a49 n GLY 4267Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1a49 n GLY 4267CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a49 n MET 4268N 0.00 1.87 0.00 1.61 0.00 0.34 -4.60 117.12 116.34 1a49 n MET 4268Ca 0.00 0.67 0.00 0.00 -0.00 0.00 0.00 57.70 58.37 1a49 n MET 4268Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 33.22 30.80 1a49 n MET 4268CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1a49 n ASN 4269N -0.04 3.95 -4.02 6.12 5.03 -0.78 -4.61 115.26 120.91 1a49 n ASN 4269Ca 0.07 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.35 1a49 n ASN 4269Cb 0.41 0.37 -0.14 0.00 -1.02 0.00 0.00 39.78 39.40 1a49 n ASN 4269CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1a49 s VAL 4270N -1.80 0.62 -0.21 2.41 1.01 -1.13 -1.28 120.40 120.02 1a49 s VAL 4270Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1a49 s VAL 4270Cb 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1a49 s VAL 4270CO 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 175.10 175.06 1a49 s ALA 4271N -0.39 2.57 -0.22 5.51 0.00 -0.96 -0.26 121.76 128.01 1a49 s ALA 4271Ca 0.01 -1.30 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 1a49 s ALA 4271Cb -0.04 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1a49 s ALA 4271CO -0.00 -0.55 0.16 0.50 0.00 0.00 0.00 175.76 175.87 1a49 s ARG 4272N 1.34 4.12 -0.31 0.00 3.52 -0.43 -2.38 118.95 124.81 1a49 s ARG 4272Ca 0.03 -0.24 -0.09 0.00 -0.13 0.00 0.00 55.73 55.31 1a49 s ARG 4272Cb -0.15 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1a49 s ARG 4272CO -0.08 0.15 0.13 -1.64 -0.81 0.00 0.00 175.30 173.05 1a49 s MET 4273N 0.79 3.20 -0.53 5.12 -1.94 -0.84 -0.64 119.30 124.46 1a49 s MET 4273Ca 0.08 -0.80 -0.24 0.00 -1.71 0.00 0.00 55.69 53.02 1a49 s MET 4273Cb -0.13 -3.49 0.04 0.00 2.01 0.00 0.00 34.83 33.26 1a49 s MET 4273CO 0.02 -0.45 0.89 1.21 -0.01 0.00 0.00 175.02 176.69 1a49 s ASN 4274N 1.56 6.34 0.00 3.03 3.84 -1.26 -0.37 114.94 128.08 1a49 s ASN 4274Ca 0.04 -0.37 0.21 0.00 0.21 0.00 0.00 52.86 52.95 1a49 s ASN 4274Cb -0.17 -2.42 1.18 0.00 -0.55 0.00 0.00 41.25 39.29 1a49 s ASN 4274CO 0.05 -1.15 1.67 0.49 -2.79 0.00 0.00 177.10 175.37 1a49 n PHE 4275N 7.23 0.00 0.68 0.43 3.01 0.40 -0.83 117.46 128.37 1a49 n PHE 4275Ca 0.01 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.57 1a49 n PHE 4275Cb 0.47 -0.15 0.44 0.00 -0.01 0.00 0.00 39.48 40.24 1a49 n PHE 4275CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1a49 n SER 4276N -1.15 0.10 -4.44 4.37 7.64 -1.26 -4.69 113.62 114.20 1a49 n SER 4276Ca 0.13 0.52 -0.21 0.00 1.01 0.00 0.00 58.87 60.31 1a49 n SER 4276Cb 0.12 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.67 1a49 n SER 4276CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1a49 s HIS 4277N -3.03 1.98 0.00 1.43 3.76 -0.01 -4.96 115.29 114.45 1a49 s HIS 4277Ca 0.09 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 1a49 s HIS 4277Cb 0.13 -1.15 0.00 0.00 1.11 0.00 0.00 32.58 32.67 1a49 s HIS 4277CO 0.39 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.96 1a49 n GLY 4278N -0.60 0.62 3.19 -2.22 0.00 -1.26 -4.84 105.19 100.07 1a49 n GLY 4278Ca -0.05 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 1a49 n GLY 4278CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a49 s THR 4279N 0.00 0.60 0.27 2.61 -4.23 -1.26 -4.99 115.64 108.65 1a49 s THR 4279Ca 0.00 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1a49 s THR 4279Cb 0.00 -1.86 0.26 0.00 1.34 0.00 0.00 72.50 72.23 1a49 s THR 4279CO 0.00 -0.70 1.73 0.45 -0.54 0.00 0.00 174.62 175.56 1a49 h HIS 4280N 2.87 0.68 -0.53 3.99 -0.00 -1.99 0.63 115.15 120.80 1a49 h HIS 4280Ca -0.36 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.01 1a49 h HIS 4280Cb 1.18 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 28.40 1a49 h HIS 4280CO 0.55 0.07 0.17 1.49 -0.00 0.00 0.00 177.93 180.21 1a49 h GLU 4281N 0.51 0.79 -0.02 2.45 4.81 -1.99 -1.25 114.58 119.87 1a49 h GLU 4281Ca 0.49 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1a49 h GLU 4281Cb 0.81 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1a49 h GLU 4281CO -0.43 0.68 -0.00 -0.92 -0.73 0.00 0.00 179.01 177.61 1a49 h TYR 4282N 0.77 0.05 -0.18 0.92 3.20 -0.22 -3.07 116.97 118.44 1a49 h TYR 4282Ca 0.18 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1a49 h TYR 4282Cb 0.22 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1a49 h TYR 4282CO 0.01 0.35 0.10 0.45 -1.64 0.00 0.00 178.16 177.43 1a49 h HIS 4283N -0.27 0.25 -0.85 -3.82 3.86 -0.59 -1.69 115.15 112.04 1a49 h HIS 4283Ca 0.01 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 1a49 h HIS 4283Cb 0.33 -0.08 -0.09 0.00 1.06 0.00 0.00 27.41 28.63 1a49 h HIS 4283CO 0.03 0.22 0.45 0.00 0.86 0.00 0.00 177.93 179.50 1a49 h ALA 4284N 1.01 1.27 -0.35 2.45 0.00 -1.33 0.92 119.26 123.23 1a49 h ALA 4284Ca 0.06 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1a49 h ALA 4284Cb 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a49 h ALA 4284CO -0.01 -0.04 -0.44 1.49 0.00 0.00 0.00 179.25 180.25 1a49 h GLU 4285N 0.67 0.91 -0.15 0.00 4.81 -1.35 0.26 114.58 119.74 1a49 h GLU 4285Ca 0.45 -0.52 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1a49 h GLU 4285Cb 0.60 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1a49 h GLU 4285CO -0.34 1.16 -0.02 1.15 -0.73 0.00 0.00 179.01 180.24 1a49 h THR 4286N 0.72 0.87 -0.57 0.32 2.02 0.01 -0.04 112.91 116.23 1a49 h THR 4286Ca 0.04 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 67.32 1a49 h THR 4286Cb 1.04 0.85 -0.08 0.00 -1.74 0.00 0.00 68.15 68.22 1a49 h THR 4286CO 0.10 0.00 0.13 0.40 0.37 0.00 0.00 175.52 176.53 1a49 h ILE 4287N 0.02 0.68 -0.86 3.11 2.04 0.91 0.26 117.51 123.68 1a49 h ILE 4287Ca 0.07 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1a49 h ILE 4287Cb 0.10 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 1a49 h ILE 4287CO -0.14 0.05 0.53 0.50 0.00 0.00 0.00 178.15 179.09 1a49 h LYS 4288N 0.27 0.92 -0.16 2.37 3.64 0.37 -1.13 116.57 122.85 1a49 h LYS 4288Ca 0.29 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 1a49 h LYS 4288Cb 0.41 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1a49 h LYS 4288CO -0.37 0.61 -0.54 -0.91 -2.27 0.00 0.00 179.45 175.97 1a49 h ASN 4289N 0.95 0.52 -0.05 4.20 -0.26 0.13 -1.87 115.58 119.20 1a49 h ASN 4289Ca 0.38 -0.27 0.02 0.00 -0.56 0.00 0.00 56.30 55.87 1a49 h ASN 4289Cb 0.20 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1a49 h ASN 4289CO -0.18 0.96 -0.09 0.58 -1.06 0.00 0.00 177.43 177.64 1a49 h VAL 4290N 0.36 0.76 -0.89 2.81 2.07 0.30 0.24 116.25 121.92 1a49 h VAL 4290Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1a49 h VAL 4290Cb 1.06 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1a49 h VAL 4290CO 0.10 0.00 0.51 0.03 0.02 0.00 0.00 177.57 178.23 1a49 h ARG 4291N -0.13 1.22 -0.04 1.57 3.08 -1.31 0.40 114.38 119.17 1a49 h ARG 4291Ca 0.05 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1a49 h ARG 4291Cb 0.20 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1a49 h ARG 4291CO -0.12 0.87 0.03 1.15 -1.07 0.00 0.00 179.97 180.82 1a49 h THR 4292N 1.23 1.02 -0.05 2.04 2.02 -0.88 0.28 112.91 118.56 1a49 h THR 4292Ca 0.32 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.49 1a49 h THR 4292Cb -0.02 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1a49 h THR 4292CO -0.06 0.01 -0.11 0.00 0.37 0.00 0.00 175.52 175.74 1a49 h ALA 4293N 1.01 -0.08 0.78 6.16 0.00 0.54 0.13 119.26 127.81 1a49 h ALA 4293Ca 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1a49 h ALA 4293Cb -0.00 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a49 h ALA 4293CO -0.00 -0.59 -0.38 1.15 0.00 0.00 0.00 179.25 179.44 1a49 h THR 4294N -0.16 0.14 0.00 0.00 2.02 -0.11 -1.44 112.91 113.35 1a49 h THR 4294Ca 0.06 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1a49 h THR 4294Cb 0.24 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1a49 h THR 4294CO -0.15 0.01 0.00 -0.62 0.37 0.00 0.00 175.52 175.14 1a49 n GLU 4295N -5.50 0.00 0.13 6.66 -0.58 0.97 -1.59 120.64 120.73 1a49 n GLU 4295Ca -0.14 0.43 0.11 0.00 -0.42 0.00 0.00 57.16 57.14 1a49 n GLU 4295Cb 0.42 -1.50 0.62 0.00 -0.57 0.00 0.00 31.44 30.41 1a49 n GLU 4295CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a49 h SER 4296N 0.00 0.08 0.08 1.62 4.64 0.18 -2.76 113.55 117.39 1a49 h SER 4296Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a49 h SER 4296Cb 0.01 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1a49 h SER 4296CO 0.00 0.05 -0.63 0.49 -0.87 0.00 0.00 176.83 175.87 1a49 n PHE 4297N -4.48 0.00 0.33 4.77 3.72 -0.62 -4.34 117.46 116.84 1a49 n PHE 4297Ca 0.02 0.00 0.22 0.00 -0.05 0.00 0.00 57.45 57.65 1a49 n PHE 4297Cb 0.26 -0.04 1.18 0.00 -0.94 0.00 0.00 39.48 39.94 1a49 n PHE 4297CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a49 h ALA 4298N 3.46 1.00 -0.88 4.37 0.00 -1.61 -2.38 119.26 123.23 1a49 h ALA 4298Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.16 1a49 h ALA 4298Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1a49 h ALA 4298CO 0.00 0.00 0.87 0.66 0.00 0.00 0.00 179.25 180.78 1a49 h SER 4299N 0.00 0.00 -3.16 0.00 4.64 -1.76 -3.35 113.55 109.93 1a49 h SER 4299Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1a49 h SER 4299Cb 0.04 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.73 1a49 h SER 4299CO 0.00 0.00 -0.76 -0.62 -0.87 0.00 0.00 176.83 174.58 1a49 s ASP 4300N -4.45 3.04 0.54 4.97 2.15 -0.89 -5.04 116.67 116.97 1a49 s ASP 4300Ca -0.04 -0.95 0.23 0.00 0.43 0.00 0.00 52.55 52.22 1a49 s ASP 4300Cb 0.17 -0.54 1.41 0.00 -0.30 0.00 0.00 42.92 43.66 1a49 s ASP 4300CO 0.58 -0.35 2.06 1.55 -0.17 0.00 0.00 175.17 178.84 1a49 h PRO 4301N 8.28 0.00 0.00 4.34 0.13 -1.84 0.34 132.00 143.25 1a49 h PRO 4301Ca -0.16 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.85 1a49 h PRO 4301Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1a49 h PRO 4301CO 0.36 0.00 -0.95 0.82 -0.23 0.00 0.00 178.00 178.00 1a49 h ILE 4302N 0.00 0.60 -0.02 -3.56 1.08 -1.95 -3.35 117.51 110.31 1a49 h ILE 4302Ca 0.15 -1.98 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 1a49 h ILE 4302Cb 0.61 2.16 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1a49 h ILE 4302CO -0.00 0.34 -0.20 0.18 -0.69 0.00 0.00 178.15 177.78 1a49 n LEU 4303N -3.02 2.40 -4.72 1.44 7.99 -0.19 -4.70 117.00 116.20 1a49 n LEU 4303Ca -0.03 -0.89 -0.41 0.00 -0.01 0.00 0.00 56.01 54.66 1a49 n LEU 4303Cb 0.76 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 44.03 1a49 n LEU 4303CO 0.41 0.42 0.60 -0.47 -1.51 0.00 0.00 177.39 176.85 1a49 s TYR 4304N -2.03 3.69 -0.16 -1.77 5.04 0.10 -4.97 117.35 117.24 1a49 s TYR 4304Ca 0.21 1.61 0.01 0.00 -2.44 0.00 0.00 57.07 56.47 1a49 s TYR 4304Cb 0.17 -3.01 0.02 0.00 0.35 0.00 0.00 41.96 39.49 1a49 s TYR 4304CO 0.39 0.09 -0.18 1.03 -1.34 0.00 0.00 175.55 175.54 1a49 s ARG 4305N 0.61 2.72 0.43 4.97 1.81 -1.26 -4.90 118.95 123.32 1a49 s ARG 4305Ca 0.47 -0.72 -0.25 0.00 -1.72 0.00 0.00 55.73 53.50 1a49 s ARG 4305Cb -0.21 -2.38 -0.08 0.00 -0.45 0.00 0.00 34.95 31.83 1a49 s ARG 4305CO 0.26 -0.21 1.26 -2.14 -0.68 0.00 0.00 175.30 173.79 1a49 s PRO 4306N 1.33 3.88 -0.07 3.54 0.02 -1.26 -4.98 135.00 137.46 1a49 s PRO 4306Ca 0.04 2.04 0.02 0.00 0.02 0.00 0.00 61.00 63.12 1a49 s PRO 4306Cb -0.13 -2.64 0.02 0.00 0.02 0.00 0.00 34.50 31.76 1a49 s PRO 4306CO -0.11 -0.53 -0.10 0.08 -0.33 0.00 0.00 177.00 176.00 1a49 s VAL 4307N -1.34 1.00 0.39 3.83 1.01 -1.26 -4.87 120.40 119.16 1a49 s VAL 4307Ca 0.59 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 1a49 s VAL 4307Cb -0.35 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1a49 s VAL 4307CO 0.44 0.33 0.67 0.00 0.00 0.00 0.00 175.10 176.54 1a49 s ALA 4308N 0.81 3.52 -0.13 5.51 0.00 -0.40 -4.89 121.76 126.18 1a49 s ALA 4308Ca -0.12 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1a49 s ALA 4308Cb -0.15 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.57 1a49 s ALA 4308CO 0.02 -0.06 -0.15 0.08 0.00 0.00 0.00 175.76 175.64 1a49 s VAL 4309N -2.41 1.60 0.09 0.00 1.01 -1.26 -2.27 120.40 117.16 1a49 s VAL 4309Ca 0.45 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.86 1a49 s VAL 4309Cb -0.10 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1a49 s VAL 4309CO 0.37 0.46 -0.26 0.00 0.00 0.00 0.00 175.10 175.67 1a49 s ALA 4310N 1.22 2.29 -0.19 5.51 0.00 -1.00 -1.21 121.76 128.39 1a49 s ALA 4310Ca -0.01 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 1a49 s ALA 4310Cb -0.14 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1a49 s ALA 4310CO -0.06 0.53 -0.12 -1.17 0.00 0.00 0.00 175.76 174.93 1a49 s LEU 4311N -1.68 2.53 -0.25 0.00 0.20 -0.78 -1.99 118.68 116.72 1a49 s LEU 4311Ca 0.13 -0.50 -0.10 0.00 0.69 0.00 0.00 54.13 54.35 1a49 s LEU 4311Cb -0.10 -1.61 -0.05 0.00 -0.43 0.00 0.00 46.19 44.00 1a49 s LEU 4311CO 0.04 0.01 0.16 -0.62 -0.29 0.00 0.00 176.35 175.66 1a49 s ASP 4312N 1.24 6.04 0.45 3.68 -1.08 0.50 -0.96 116.67 126.54 1a49 s ASP 4312Ca 0.03 0.06 -0.20 0.00 -0.52 0.00 0.00 52.55 51.92 1a49 s ASP 4312Cb -0.14 -2.10 -0.10 0.00 -1.46 0.00 0.00 42.92 39.12 1a49 s ASP 4312CO -0.06 0.03 0.96 -0.89 0.52 0.00 0.00 175.17 175.74 1a49 s THR 4313N 1.25 4.38 -0.04 1.71 2.01 -0.75 -0.46 115.64 123.74 1a49 s THR 4313Ca 0.07 1.43 -0.12 0.00 0.31 0.00 0.00 61.69 63.38 1a49 s THR 4313Cb -0.14 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 1a49 s THR 4313CO 0.06 -0.37 0.53 0.11 -0.69 0.00 0.00 174.62 174.26 1a49 h LYS 4314N 1.74 -0.41 0.00 4.92 1.57 -1.90 -3.37 116.57 119.11 1a49 h LYS 4314Ca -0.49 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1a49 h LYS 4314Cb 1.18 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1a49 h LYS 4314CO 0.61 -0.27 -0.06 0.41 -0.57 0.00 0.00 179.45 179.57 1a49 n GLY 4315N 0.61 -1.79 2.71 3.86 0.00 -1.26 -4.11 105.19 105.21 1a49 n GLY 4315Ca -0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1a49 n GLY 4315CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a49 n PRO 4316N -1.18 0.89 -3.57 1.61 -0.04 -1.26 -4.86 135.00 126.59 1a49 n PRO 4316Ca 0.00 -0.80 -0.20 0.00 -0.04 0.00 0.00 63.50 62.47 1a49 n PRO 4316Cb 0.07 -2.08 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 1a49 n PRO 4316CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1a49 s GLU 4317N 3.83 2.86 -0.28 0.54 -1.05 -1.26 -4.96 118.70 118.38 1a49 s GLU 4317Ca 0.19 -1.21 -0.04 0.00 -0.15 0.00 0.00 54.97 53.75 1a49 s GLU 4317Cb 0.06 -2.62 0.02 0.00 -0.44 0.00 0.00 34.13 31.15 1a49 s GLU 4317CO -0.01 0.01 0.01 0.42 0.95 0.00 0.00 175.26 176.64 1a49 s ILE 4318N -2.28 3.41 0.16 1.83 1.01 -1.26 -4.92 121.20 119.15 1a49 s ILE 4318Ca 0.45 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 60.29 1a49 s ILE 4318Cb -0.07 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1a49 s ILE 4318CO 0.29 0.11 -0.15 -0.13 0.00 0.00 0.00 174.94 175.06 1a49 s ARG 4319N 1.40 1.88 0.49 2.79 1.81 -1.26 -1.45 118.95 124.60 1a49 s ARG 4319Ca 0.01 -1.27 -0.00 0.00 -1.72 0.00 0.00 55.73 52.75 1a49 s ARG 4319Cb -0.17 -2.10 0.01 0.00 -0.45 0.00 0.00 34.95 32.24 1a49 s ARG 4319CO -0.01 0.45 0.72 0.99 -0.68 0.00 0.00 175.30 176.77 1a49 s THR 4320N -1.49 3.70 0.49 0.02 2.01 0.34 -0.74 115.64 119.97 1a49 s THR 4320Ca 0.22 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 1a49 s THR 4320Cb -0.09 -3.38 0.11 0.00 0.01 0.00 0.00 72.50 69.14 1a49 s THR 4320CO 0.12 -0.28 0.66 0.61 -0.69 0.00 0.00 174.62 175.04 1a49 n GLY 4321N -2.19 -0.53 3.66 4.40 0.00 0.73 -3.37 105.19 107.89 1a49 n GLY 4321Ca 0.03 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1a49 n GLY 4321CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a49 s LEU 4322N 0.00 4.15 -0.12 0.99 1.43 -0.12 -1.57 118.68 123.43 1a49 s LEU 4322Ca 0.40 1.23 -0.29 0.00 -1.03 0.00 0.00 54.13 54.43 1a49 s LEU 4322Cb -0.01 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1a49 s LEU 4322CO 0.27 -0.49 1.50 -0.63 0.23 0.00 0.00 176.35 177.23 1a49 s ILE 4323N 2.50 3.86 -0.97 -0.59 -1.09 -1.26 -0.31 121.20 123.35 1a49 s ILE 4323Ca 0.40 1.04 -0.06 0.00 -2.23 0.00 0.00 60.65 59.79 1a49 s ILE 4323Cb -0.16 -3.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.07 1a49 s ILE 4323CO 0.11 -0.13 0.26 0.29 -1.23 0.00 0.00 174.94 174.24 1a49 n LYS 4324N 7.01 -2.76 -1.12 2.79 5.02 0.74 -2.30 118.16 127.55 1a49 n LYS 4324Ca 0.16 0.35 -0.04 0.00 -2.02 0.00 0.00 58.31 56.76 1a49 n LYS 4324Cb 0.44 -4.97 -0.02 0.00 -0.02 0.00 0.00 35.03 30.46 1a49 n LYS 4324CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a49 n GLY 4325N -0.91 0.66 3.27 0.72 0.00 0.25 -4.98 105.19 104.20 1a49 n GLY 4325Ca -0.03 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 1a49 n GLY 4325CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a49 s SER 4326N -2.44 2.65 0.00 1.61 0.15 -0.97 -4.99 113.70 109.71 1a49 s SER 4326Ca 0.00 -0.51 0.27 0.00 0.70 0.00 0.00 55.95 56.41 1a49 s SER 4326Cb 0.00 -0.24 1.46 0.00 -1.71 0.00 0.00 66.02 65.53 1a49 s SER 4326CO 0.00 0.20 1.96 0.61 1.20 0.00 0.00 173.24 177.21 1a49 n GLY 4327N 1.96 -0.68 0.15 9.45 0.00 -1.26 -3.45 105.19 111.36 1a49 n GLY 4327Ca -0.17 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.62 1a49 n GLY 4327CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a49 n THR 4328N -0.60 0.70 -3.28 2.61 -2.24 -1.26 -4.45 114.28 105.76 1a49 n THR 4328Ca 0.20 -0.85 -0.31 0.00 -2.27 0.00 0.00 64.05 60.82 1a49 n THR 4328Cb 0.17 0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 1a49 n THR 4328CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 s ALA 4329N -0.77 3.53 0.04 6.98 0.00 -1.22 -4.98 121.76 125.34 1a49 s ALA 4329Ca 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 1a49 s ALA 4329Cb 0.03 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 1a49 s ALA 4329CO 0.04 0.33 -0.03 -1.21 0.00 0.00 0.00 175.76 174.89 1a49 s GLU 4330N -3.22 0.52 -0.03 0.00 2.02 -1.26 -3.23 118.70 113.51 1a49 s GLU 4330Ca 0.47 -1.01 -0.10 0.00 0.02 0.00 0.00 54.97 54.36 1a49 s GLU 4330Cb -0.11 0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.28 1a49 s GLU 4330CO 0.25 -0.08 0.22 0.14 0.02 0.00 0.00 175.26 175.81 1a49 s VAL 4331N -3.02 0.05 -0.31 2.63 -7.23 -0.52 -4.98 120.40 107.04 1a49 s VAL 4331Ca -0.01 -0.45 -0.12 0.00 -1.81 0.00 0.00 61.98 59.59 1a49 s VAL 4331Cb 0.01 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 1a49 s VAL 4331CO -0.06 -0.25 0.24 -0.70 -0.31 0.00 0.00 175.10 174.02 1a49 s GLU 4332N -0.99 3.76 0.79 4.82 2.12 -1.26 0.18 118.70 128.13 1a49 s GLU 4332Ca -0.11 -0.41 -0.11 0.00 0.36 0.00 0.00 54.97 54.71 1a49 s GLU 4332Cb -0.05 -3.72 0.07 0.00 0.26 0.00 0.00 34.13 30.68 1a49 s GLU 4332CO 0.02 -0.31 1.09 -0.51 -0.54 0.00 0.00 175.26 175.00 1a49 s LEU 4333N 1.80 2.73 -0.02 2.70 1.43 0.83 -4.83 118.68 123.32 1a49 s LEU 4333Ca 0.08 1.54 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 1a49 s LEU 4333Cb -0.17 -4.19 0.01 0.00 0.03 0.00 0.00 46.19 41.88 1a49 s LEU 4333CO 0.11 -2.04 -0.05 -0.54 0.23 0.00 0.00 176.35 174.05 1a49 s LYS 4334N -5.01 0.65 0.57 1.70 1.02 -1.26 -2.54 119.74 114.86 1a49 s LYS 4334Ca 0.61 -0.17 -0.19 0.00 0.02 0.00 0.00 55.97 56.25 1a49 s LYS 4334Cb -0.16 -0.65 -0.07 0.00 -0.52 0.00 0.00 37.83 36.43 1a49 s LYS 4334CO 0.56 0.04 0.73 1.17 -0.92 0.00 0.00 175.35 176.92 1a49 n LYS 4335N 3.44 0.71 -0.13 1.68 4.81 -1.26 -1.86 118.16 125.56 1a49 n LYS 4335Ca -0.19 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1a49 n LYS 4335Cb 0.54 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.69 1a49 n LYS 4335CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a49 n GLY 4336N 1.55 1.31 3.79 3.14 0.00 0.58 -4.93 105.19 110.63 1a49 n GLY 4336Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1a49 n GLY 4336CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 4337N -2.08 1.81 0.11 4.61 0.00 -0.78 -4.67 121.76 120.77 1a49 s ALA 4337Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.51 1a49 s ALA 4337Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1a49 s ALA 4337CO 0.00 -2.25 -0.09 -0.08 0.00 0.00 0.00 175.76 173.33 1a49 s THR 4338N -3.29 3.40 -0.09 0.00 -1.32 -1.26 0.31 115.64 113.39 1a49 s THR 4338Ca 0.64 -1.30 -0.08 0.00 -1.21 0.00 0.00 61.69 59.73 1a49 s THR 4338Cb -0.15 -2.61 0.02 0.00 -1.51 0.00 0.00 72.50 68.26 1a49 s THR 4338CO 0.53 0.08 0.24 -0.22 -2.21 0.00 0.00 174.62 173.04 1a49 s LEU 4339N -2.31 1.08 -0.24 9.08 2.96 0.81 -4.76 118.68 125.30 1a49 s LEU 4339Ca 0.22 0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 54.52 1a49 s LEU 4339Cb -0.11 0.81 -0.04 0.00 0.50 0.00 0.00 46.19 47.35 1a49 s LEU 4339CO 0.14 -0.08 0.10 -0.54 -1.32 0.00 0.00 176.35 174.65 1a49 s LYS 4340N 0.15 3.81 -0.45 1.98 1.02 -0.82 0.25 119.74 125.67 1a49 s LYS 4340Ca -0.00 -0.40 -0.25 0.00 0.02 0.00 0.00 55.97 55.33 1a49 s LYS 4340Cb -0.02 -3.40 0.03 0.00 -0.52 0.00 0.00 37.83 33.92 1a49 s LYS 4340CO 0.00 -0.09 0.91 0.42 -0.92 0.00 0.00 175.35 175.68 1a49 s ILE 4341N 1.39 4.50 -0.05 2.17 1.01 0.60 0.89 121.20 131.70 1a49 s ILE 4341Ca 0.06 0.74 -0.00 0.00 0.00 0.00 0.00 60.65 61.45 1a49 s ILE 4341Cb -0.15 -4.42 -0.03 0.00 0.01 0.00 0.00 42.46 37.87 1a49 s ILE 4341CO 0.05 -0.80 -0.01 0.28 0.00 0.00 0.00 174.94 174.46 1a49 s THR 4342N 3.69 4.17 -2.43 2.92 -1.32 0.81 0.07 115.64 123.55 1a49 s THR 4342Ca 0.36 -0.42 0.23 0.00 -1.21 0.00 0.00 61.69 60.65 1a49 s THR 4342Cb -0.10 -2.79 0.42 0.00 -1.51 0.00 0.00 72.50 68.51 1a49 s THR 4342CO 0.25 0.51 1.39 0.18 -2.21 0.00 0.00 174.62 174.75 1a49 n LEU 4343N 1.84 3.46 -4.56 9.08 4.32 -0.96 -3.19 117.00 126.99 1a49 n LEU 4343Ca -0.17 -1.51 -0.41 0.00 -0.02 0.00 0.00 56.01 53.90 1a49 n LEU 4343Cb 0.53 -0.25 -0.03 0.00 -1.62 0.00 0.00 43.42 42.06 1a49 n LEU 4343CO 0.30 0.74 1.19 -0.62 -1.22 0.00 0.00 177.39 177.79 1a49 s ASP 4344N -1.47 6.19 0.42 -1.43 2.15 -1.26 -4.83 116.67 116.44 1a49 s ASP 4344Ca 0.38 -0.08 0.01 0.00 0.43 0.00 0.00 52.55 53.29 1a49 s ASP 4344Cb 0.22 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.32 1a49 s ASP 4344CO 0.31 -1.74 0.84 0.78 -0.17 0.00 0.00 175.17 175.19 1a49 h ASN 4345N 10.39 0.00 1.42 -0.34 -0.26 -1.96 2.70 115.58 127.53 1a49 h ASN 4345Ca -0.27 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.43 1a49 h ASN 4345Cb 1.07 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.32 1a49 h ASN 4345CO 1.23 0.00 -0.20 0.00 -1.06 0.00 0.00 177.43 177.39 1a49 h ALA 4346N 0.04 0.92 -0.00 -0.83 0.00 -1.99 -3.19 119.26 114.20 1a49 h ALA 4346Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a49 h ALA 4346Cb 1.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1a49 h ALA 4346CO 0.00 0.25 -0.24 0.66 0.00 0.00 0.00 179.25 179.92 1a49 n TYR 4347N -3.22 0.00 -0.12 0.00 4.01 0.91 -4.59 117.16 114.16 1a49 n TYR 4347Ca 0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.73 1a49 n TYR 4347Cb 0.53 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1a49 n TYR 4347CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1a49 n MET 4348N -1.25 -0.12 -0.62 -0.72 2.81 -1.21 -1.37 117.12 114.65 1a49 n MET 4348Ca 0.09 0.58 0.09 0.00 -1.81 0.00 0.00 57.70 56.66 1a49 n MET 4348Cb 0.32 -0.86 0.36 0.00 -0.71 0.00 0.00 33.22 32.33 1a49 n MET 4348CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1a49 n GLU 4349N -3.75 3.76 -2.19 0.03 1.02 -1.26 -0.95 120.64 117.30 1a49 n GLU 4349Ca 0.01 -2.90 -0.27 0.00 -0.02 0.00 0.00 57.16 53.98 1a49 n GLU 4349Cb 0.07 -1.90 0.01 0.00 -0.02 0.00 0.00 31.44 29.61 1a49 n GLU 4349CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a49 n LYS 4350N 1.10 3.45 -2.66 3.49 5.02 -0.47 0.84 118.16 128.93 1a49 n LYS 4350Ca 0.26 -4.25 -0.37 0.00 -2.02 0.00 0.00 58.31 51.93 1a49 n LYS 4350Cb 0.90 -2.27 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 1a49 n LYS 4350CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a49 n ASP 4352N 0.20 -0.48 0.00 0.00 5.68 0.45 -0.18 116.55 122.22 1a49 n ASP 4352Ca 0.04 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 1a49 n ASP 4352Cb 0.50 0.77 0.00 0.00 -1.14 0.00 0.00 41.12 41.25 1a49 n ASP 4352CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1a49 n GLU 4353N -0.25 0.00 0.00 0.11 0.28 -1.26 -2.29 120.64 117.24 1a49 n GLU 4353Ca 0.00 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1a49 n GLU 4353Cb 0.18 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.51 1a49 n GLU 4353CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a49 n ASN 4354N -1.46 3.55 -4.44 -1.84 4.13 -1.26 -4.82 115.26 109.12 1a49 n ASN 4354Ca 0.00 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.93 1a49 n ASN 4354Cb 0.04 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.15 1a49 n ASN 4354CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a49 s ILE 4355N -1.97 3.33 -0.27 2.41 -1.09 -0.97 -1.94 121.20 120.71 1a49 s ILE 4355Ca 0.00 -0.58 0.03 0.00 -2.23 0.00 0.00 60.65 57.87 1a49 s ILE 4355Cb 0.00 -2.40 0.07 0.00 -1.58 0.00 0.00 42.46 38.55 1a49 s ILE 4355CO 0.00 0.54 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.96 1a49 s LEU 4356N 0.05 3.49 -0.38 2.97 2.96 0.26 -0.41 118.68 127.62 1a49 s LEU 4356Ca -0.03 -1.50 -0.24 0.00 -0.22 0.00 0.00 54.13 52.13 1a49 s LEU 4356Cb -0.14 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.09 1a49 s LEU 4356CO 0.04 -0.24 0.84 0.86 -1.32 0.00 0.00 176.35 176.53 1a49 s TRP 4357N 1.13 3.08 0.00 5.38 -0.00 -1.26 -0.13 118.94 127.15 1a49 s TRP 4357Ca -0.04 0.59 0.00 0.00 -0.00 0.00 0.00 56.10 56.65 1a49 s TRP 4357Cb -0.20 -3.53 0.00 0.00 -0.00 0.00 0.00 33.47 29.74 1a49 s TRP 4357CO -0.06 -0.80 0.00 -0.11 -0.00 0.00 0.00 176.95 175.97 1a49 n LEU 4358N 6.60 0.00 -0.01 5.86 7.94 -1.19 0.26 117.00 136.46 1a49 n LEU 4358Ca 0.04 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.93 1a49 n LEU 4358Cb 0.48 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.42 1a49 n LEU 4358CO 0.56 -0.44 -0.57 -0.67 -1.11 0.00 0.00 177.39 175.16 1a49 n ASP 4359N -2.65 4.01 -4.54 1.96 2.03 0.08 -4.54 116.55 112.91 1a49 n ASP 4359Ca 0.00 -0.01 -0.43 0.00 0.52 0.00 0.00 54.79 54.87 1a49 n ASP 4359Cb 0.00 0.11 -0.06 0.00 -0.72 0.00 0.00 41.12 40.45 1a49 n ASP 4359CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1a49 s TYR 4360N -2.04 3.03 0.28 -0.67 5.04 -1.26 -4.92 117.35 116.80 1a49 s TYR 4360Ca -0.02 0.16 0.10 0.00 -2.44 0.00 0.00 57.07 54.87 1a49 s TYR 4360Cb 0.01 -3.54 0.37 0.00 0.35 0.00 0.00 41.96 39.15 1a49 s TYR 4360CO 0.06 -0.92 1.62 0.87 -1.34 0.00 0.00 175.55 175.84 1a49 h LYS 4361N 8.88 0.01 -0.64 4.97 6.56 -1.98 -3.16 116.57 131.22 1a49 h LYS 4361Ca -0.25 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.33 1a49 h LYS 4361Cb 1.09 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.75 1a49 h LYS 4361CO 0.93 0.61 0.00 0.09 -2.06 0.00 0.00 179.45 179.03 1a49 n ASN 4362N -3.82 5.15 -0.23 0.86 3.02 -1.26 -4.52 115.26 114.45 1a49 n ASN 4362Ca -0.01 -2.82 0.04 0.00 -0.03 0.00 0.00 54.58 51.76 1a49 n ASN 4362Cb 0.61 -0.67 0.16 0.00 -0.61 0.00 0.00 39.78 39.27 1a49 n ASN 4362CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1a49 h ILE 4363N 3.48 0.52 -0.01 2.41 2.10 -1.97 -1.98 117.51 122.05 1a49 h ILE 4363Ca 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1a49 h ILE 4363Cb 1.81 0.27 -0.00 0.00 -1.09 0.00 0.00 36.82 37.80 1a49 h ILE 4363CO 0.44 0.04 0.47 0.00 -1.08 0.00 0.00 178.15 178.02 1a49 n LYS 4365N -2.82 0.74 0.17 0.00 4.81 -0.75 -4.25 118.16 116.07 1a49 n LYS 4365Ca -0.01 -0.10 0.04 0.00 -0.87 0.00 0.00 58.31 57.36 1a49 n LYS 4365Cb 0.50 -1.41 0.29 0.00 0.02 0.00 0.00 35.03 34.43 1a49 n LYS 4365CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1a49 h VAL 4366N 0.00 0.99 -3.87 3.15 2.07 0.13 -3.44 116.25 115.28 1a49 h VAL 4366Ca 0.00 -1.68 -0.48 0.00 0.82 0.00 0.00 66.70 65.35 1a49 h VAL 4366Cb 0.69 2.00 -0.31 0.00 -1.52 0.00 0.00 31.29 32.15 1a49 h VAL 4366CO 0.00 0.42 -0.81 0.54 0.02 0.00 0.00 177.57 177.74 1a49 s VAL 4367N -3.56 1.06 0.55 2.57 0.11 -0.61 -4.48 120.40 116.04 1a49 s VAL 4367Ca 0.00 -0.51 0.09 0.00 -2.93 0.00 0.00 61.98 58.63 1a49 s VAL 4367Cb 0.11 -0.92 0.07 0.00 -1.53 0.00 0.00 36.38 34.11 1a49 s VAL 4367CO 0.70 0.32 0.75 -1.81 -3.33 0.00 0.00 175.10 171.73 1a49 s ASP 4368N 0.11 5.20 0.51 3.54 1.01 -1.26 -4.81 116.67 120.96 1a49 s ASP 4368Ca -0.03 -0.76 -0.22 0.00 0.71 0.00 0.00 52.55 52.25 1a49 s ASP 4368Cb -0.10 0.12 -0.06 0.00 1.01 0.00 0.00 42.92 43.89 1a49 s ASP 4368CO 0.01 -1.24 1.27 -0.69 0.21 0.00 0.00 175.17 174.73 1a49 s VAL 4369N -2.61 2.53 -1.71 -1.27 1.01 -1.26 -1.17 120.40 115.91 1a49 s VAL 4369Ca 0.61 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 1a49 s VAL 4369Cb -0.07 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1a49 s VAL 4369CO 0.38 -0.01 0.07 0.61 0.00 0.00 0.00 175.10 176.15 1a49 n GLY 4370N 0.60 -0.47 3.93 4.51 0.00 1.47 -4.90 105.19 110.33 1a49 n GLY 4370Ca 0.09 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1a49 n GLY 4370CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a49 s SER 4371N -2.16 6.32 -0.15 1.61 0.15 -0.32 -4.66 113.70 114.50 1a49 s SER 4371Ca 0.03 0.50 -0.09 0.00 0.70 0.00 0.00 55.95 57.09 1a49 s SER 4371Cb -0.01 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 1a49 s SER 4371CO 0.04 -0.27 0.16 -0.54 1.20 0.00 0.00 173.24 173.83 1a49 s LYS 4372N -4.14 3.79 -0.12 5.44 3.01 -1.26 0.88 119.74 127.34 1a49 s LYS 4372Ca 0.41 -0.12 -0.02 0.00 -1.01 0.00 0.00 55.97 55.22 1a49 s LYS 4372Cb -0.10 -3.29 0.04 0.00 -1.01 0.00 0.00 37.83 33.47 1a49 s LYS 4372CO 0.35 0.57 0.01 0.08 0.51 0.00 0.00 175.35 176.87 1a49 s VAL 4373N -0.43 0.45 -0.06 3.17 1.01 -0.70 -4.71 120.40 119.11 1a49 s VAL 4373Ca 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1a49 s VAL 4373Cb -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1a49 s VAL 4373CO 0.02 0.08 0.12 -0.31 0.00 0.00 0.00 175.10 175.01 1a49 s TYR 4374N 1.92 3.45 -0.17 5.22 2.02 -0.86 -0.88 117.35 128.07 1a49 s TYR 4374Ca 0.03 0.37 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 1a49 s TYR 4374Cb -0.14 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 1a49 s TYR 4374CO -0.06 0.64 -0.17 0.08 -1.57 0.00 0.00 175.55 174.46 1a49 s VAL 4375N -1.11 2.44 -0.31 0.71 1.01 0.45 -2.92 120.40 120.67 1a49 s VAL 4375Ca 0.19 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 1a49 s VAL 4375Cb -0.12 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 1a49 s VAL 4375CO 0.09 0.52 0.29 -0.67 0.00 0.00 0.00 175.10 175.33 1a49 n ASP 4376N 4.33 -4.26 -3.16 3.32 -0.08 0.09 -1.48 116.55 115.31 1a49 n ASP 4376Ca -0.20 -0.06 -0.23 0.00 -1.51 0.00 0.00 54.79 52.79 1a49 n ASP 4376Cb 0.51 -2.68 0.04 0.00 2.34 0.00 0.00 41.12 41.33 1a49 n ASP 4376CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1a49 n ASP 4377N -1.42 -5.98 0.00 1.67 9.92 -1.26 -2.30 116.55 117.17 1a49 n ASP 4377Ca -0.00 -0.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.91 1a49 n ASP 4377Cb 0.51 -4.82 0.00 0.00 -0.64 0.00 0.00 41.12 36.17 1a49 n ASP 4377CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a49 n GLY 4378N -1.59 1.05 0.14 0.44 0.00 -1.26 -4.76 105.19 99.22 1a49 n GLY 4378Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 1a49 n GLY 4378CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a49 h LEU 4379N 0.00 -0.21 -8.90 0.99 5.85 -1.35 -3.39 115.31 108.29 1a49 h LEU 4379Ca 0.00 0.08 -0.65 0.00 0.84 0.00 0.00 57.88 58.15 1a49 h LEU 4379Cb 0.00 0.16 -0.21 0.00 0.37 0.00 0.00 40.66 40.98 1a49 h LEU 4379CO 0.00 -0.07 -0.68 -0.63 -0.34 0.00 0.00 178.44 176.72 1a49 s ILE 4380N -6.20 3.78 -0.13 4.05 -1.09 -0.55 -4.88 121.20 116.19 1a49 s ILE 4380Ca -0.13 -0.41 -0.04 0.00 -2.23 0.00 0.00 60.65 57.83 1a49 s ILE 4380Cb 0.13 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 1a49 s ILE 4380CO 0.70 0.53 0.03 -0.55 -1.23 0.00 0.00 174.94 174.42 1a49 s SER 4381N 0.02 5.46 -0.02 3.58 0.15 -1.26 -0.41 113.70 121.21 1a49 s SER 4381Ca -0.00 0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.85 1a49 s SER 4381Cb -0.13 -1.73 -0.01 0.00 -1.71 0.00 0.00 66.02 62.43 1a49 s SER 4381CO 0.03 0.30 -0.20 -0.76 1.20 0.00 0.00 173.24 173.81 1a49 s LEU 4382N -0.42 2.02 -0.13 3.45 1.02 -0.05 -2.82 118.68 121.74 1a49 s LEU 4382Ca 0.09 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.87 1a49 s LEU 4382Cb -0.12 -1.06 -0.01 0.00 0.02 0.00 0.00 46.19 45.02 1a49 s LEU 4382CO 0.02 0.23 -0.16 -1.58 0.02 0.00 0.00 176.35 174.88 1a49 s GLN 4383N -0.35 3.26 -0.44 1.70 2.00 -1.04 -1.72 119.66 123.06 1a49 s GLN 4383Ca 0.05 -0.75 -0.28 0.00 -2.00 0.00 0.00 55.36 52.38 1a49 s GLN 4383Cb -0.09 -2.56 -0.02 0.00 0.80 0.00 0.00 33.01 31.14 1a49 s GLN 4383CO 0.00 0.14 1.84 0.08 -0.50 0.00 0.00 175.29 176.85 1a49 s VAL 4384N 0.50 3.43 -0.17 1.34 1.01 0.26 -2.37 120.40 124.39 1a49 s VAL 4384Ca -0.11 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 1a49 s VAL 4384Cb -0.16 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1a49 s VAL 4384CO 0.05 -0.58 -0.12 0.29 0.00 0.00 0.00 175.10 174.73 1a49 n LYS 4385N 8.71 0.50 -4.50 2.72 4.76 0.45 0.43 118.16 131.24 1a49 n LYS 4385Ca 0.22 0.48 -0.27 0.00 -2.87 0.00 0.00 58.31 55.87 1a49 n LYS 4385Cb 0.49 -1.65 -0.17 0.00 -1.84 0.00 0.00 35.03 31.86 1a49 n LYS 4385CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1a49 s GLN 4386N -2.39 2.01 -0.48 1.97 -0.21 0.11 -4.68 119.66 115.99 1a49 s GLN 4386Ca -0.22 -0.50 -0.16 0.00 0.02 0.00 0.00 55.36 54.50 1a49 s GLN 4386Cb 0.04 -1.71 0.07 0.00 1.00 0.00 0.00 33.01 32.41 1a49 s GLN 4386CO 0.36 -0.04 0.46 0.21 -2.12 0.00 0.00 175.29 174.16 1a49 s LYS 4387N 0.90 3.02 0.00 2.91 2.20 -1.26 0.64 119.74 128.15 1a49 s LYS 4387Ca -0.09 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.29 1a49 s LYS 4387Cb -0.15 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 1a49 s LYS 4387CO 0.00 -1.09 0.00 0.41 -0.36 0.00 0.00 175.35 174.32 1a49 n GLY 4388N 5.20 0.91 0.34 5.54 0.00 0.13 -5.01 105.19 112.30 1a49 n GLY 4388Ca -0.11 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 1a49 n GLY 4388CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a49 n PRO 4389N 0.00 0.45 -0.98 1.61 -0.04 -1.26 -4.66 135.00 130.12 1a49 n PRO 4389Ca 0.00 0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1a49 n PRO 4389Cb 0.00 -1.26 0.17 0.00 -0.04 0.00 0.00 33.50 32.37 1a49 n PRO 4389CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1a49 n ASP 4390N -3.97 2.85 -3.74 3.54 2.03 -1.26 -4.98 116.55 111.01 1a49 n ASP 4390Ca -0.41 -3.83 0.02 0.00 0.52 0.00 0.00 54.79 51.09 1a49 n ASP 4390Cb 0.79 -0.56 0.01 0.00 -0.72 0.00 0.00 41.12 40.64 1a49 n ASP 4390CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1a49 s PHE 4391N -3.34 0.01 -0.04 -0.67 -0.12 -1.26 -2.26 117.98 110.30 1a49 s PHE 4391Ca 0.44 -0.14 -0.01 0.00 -0.05 0.00 0.00 56.93 57.17 1a49 s PHE 4391Cb 0.40 0.56 0.03 0.00 -0.63 0.00 0.00 43.02 43.38 1a49 s PHE 4391CO -0.02 -0.30 0.02 -0.51 -0.05 0.00 0.00 175.22 174.36 1a49 s LEU 4392N -3.56 0.67 -0.34 -1.99 2.01 0.11 0.22 118.68 115.79 1a49 s LEU 4392Ca 0.25 0.00 -0.12 0.00 0.01 0.00 0.00 54.13 54.28 1a49 s LEU 4392Cb 0.01 -0.23 -0.01 0.00 0.01 0.00 0.00 46.19 45.97 1a49 s LEU 4392CO -0.01 -0.18 0.21 -0.69 1.01 0.00 0.00 176.35 176.69 1a49 s VAL 4393N 1.64 4.95 0.27 -1.59 1.01 0.21 0.22 120.40 127.11 1a49 s VAL 4393Ca -0.01 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.63 1a49 s VAL 4393Cb -0.13 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 1a49 s VAL 4393CO -0.03 -0.03 -0.07 0.42 0.00 0.00 0.00 175.10 175.39 1a49 s THR 4394N 1.66 1.67 -0.20 3.92 -4.23 0.68 0.06 115.64 119.19 1a49 s THR 4394Ca 0.05 -2.14 -0.08 0.00 -1.18 0.00 0.00 61.69 58.34 1a49 s THR 4394Cb -0.18 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1a49 s THR 4394CO 0.08 -0.33 0.08 -0.70 -0.54 0.00 0.00 174.62 173.21 1a49 s GLU 4395N -3.72 3.92 -0.72 3.99 2.12 -1.00 0.28 118.70 123.57 1a49 s GLU 4395Ca 0.29 -0.36 -0.26 0.00 0.36 0.00 0.00 54.97 54.99 1a49 s GLU 4395Cb 0.03 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 1a49 s GLU 4395CO 0.11 0.15 1.77 0.08 -0.54 0.00 0.00 175.26 176.83 1a49 s VAL 4396N 0.71 3.47 0.23 3.70 1.01 0.91 -2.51 120.40 127.92 1a49 s VAL 4396Ca 0.04 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1a49 s VAL 4396Cb -0.13 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.14 1a49 s VAL 4396CO 0.02 -1.13 1.69 -0.33 0.00 0.00 0.00 175.10 175.35 1a49 h GLU 4397N 13.05 0.80 -6.58 2.72 5.08 -1.80 1.71 114.58 129.56 1a49 h GLU 4397Ca -0.15 -0.27 -0.69 0.00 -1.00 0.00 0.00 59.36 57.25 1a49 h GLU 4397Cb 1.10 -0.07 -0.25 0.00 0.50 0.00 0.00 28.75 30.03 1a49 h GLU 4397CO 1.24 0.87 -0.84 -0.80 -1.00 0.00 0.00 179.01 178.48 1a49 s ASN 4398N -6.69 3.49 0.08 1.42 0.02 -1.24 -4.61 114.94 107.41 1a49 s ASN 4398Ca -0.09 -0.43 -0.21 0.00 -1.02 0.00 0.00 52.86 51.10 1a49 s ASN 4398Cb 0.14 -0.50 -0.07 0.00 0.02 0.00 0.00 41.25 40.84 1a49 s ASN 4398CO 0.83 0.29 0.63 -0.83 0.02 0.00 0.00 177.10 178.04 1a49 s GLY 4399N -1.03 2.73 0.00 0.66 0.00 -1.26 -4.23 107.32 104.19 1a49 s GLY 4399Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1a49 s GLY 4399CO 0.02 0.63 0.00 0.61 0.00 0.00 0.00 173.10 174.36 1a49 n GLY 4400N 1.82 3.37 3.71 0.20 0.00 -1.05 -4.95 105.19 108.29 1a49 n GLY 4400Ca -0.08 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1a49 n GLY 4400CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a49 s PHE 4401N -2.00 3.05 0.10 1.61 0.40 -1.26 -0.12 117.98 119.76 1a49 s PHE 4401Ca 0.00 0.80 -0.18 0.00 -0.60 0.00 0.00 56.93 56.95 1a49 s PHE 4401Cb 0.00 -3.75 -0.07 0.00 0.51 0.00 0.00 43.02 39.71 1a49 s PHE 4401CO 0.00 -2.75 0.57 -0.51 0.70 0.00 0.00 175.22 173.24 1a49 s LEU 4402N 1.51 4.47 0.00 -0.37 2.01 0.48 -4.86 118.68 121.92 1a49 s LEU 4402Ca 0.66 1.23 0.00 0.00 0.01 0.00 0.00 54.13 56.03 1a49 s LEU 4402Cb -0.37 -3.03 -0.00 0.00 0.01 0.00 0.00 46.19 42.80 1a49 s LEU 4402CO 0.30 0.22 0.01 0.61 1.01 0.00 0.00 176.35 178.49 1a49 n GLY 4403N 1.43 4.08 3.85 -3.19 0.00 -1.26 -1.43 105.19 108.67 1a49 n GLY 4403Ca -0.09 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.45 1a49 n GLY 4403CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a49 s SER 4404N -1.37 6.81 -1.04 1.61 1.04 -1.20 -4.42 113.70 115.13 1a49 s SER 4404Ca 0.01 1.24 -0.14 0.00 0.48 0.00 0.00 55.95 57.54 1a49 s SER 4404Cb 0.00 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 1a49 s SER 4404CO 0.01 -0.12 0.79 0.29 0.98 0.00 0.00 173.24 175.19 1a49 n LYS 4405N -0.03 -1.42 -3.88 4.02 4.76 -0.61 -4.96 118.16 116.05 1a49 n LYS 4405Ca 0.01 0.69 -0.33 0.00 -2.87 0.00 0.00 58.31 55.81 1a49 n LYS 4405Cb 0.52 -4.44 -0.05 0.00 -1.84 0.00 0.00 35.03 29.23 1a49 n LYS 4405CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a49 s LYS 4406N -5.24 3.46 0.72 1.97 -0.14 -1.24 -4.63 119.74 114.63 1a49 s LYS 4406Ca 0.37 -0.32 -0.11 0.00 -1.36 0.00 0.00 55.97 54.55 1a49 s LYS 4406Cb -0.12 -3.06 0.02 0.00 -1.68 0.00 0.00 37.83 32.99 1a49 s LYS 4406CO 0.83 0.64 1.08 0.20 -0.76 0.00 0.00 175.35 177.34 1a49 s GLY 4407N -2.12 1.75 -0.06 -3.33 0.00 -1.26 -0.51 107.32 101.79 1a49 s GLY 4407Ca 0.30 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1a49 s GLY 4407CO 0.22 0.55 -0.04 0.14 0.00 0.00 0.00 173.10 173.97 1a49 s VAL 4408N -2.88 0.54 -0.10 1.40 1.01 -0.53 -0.73 120.40 119.11 1a49 s VAL 4408Ca 0.60 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.52 1a49 s VAL 4408Cb -0.16 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1a49 s VAL 4408CO 0.53 0.25 -0.13 0.20 0.00 0.00 0.00 175.10 175.95 1a49 s ASN 4409N 1.27 2.21 -0.47 3.32 0.01 -1.15 -4.37 114.94 115.76 1a49 s ASN 4409Ca -0.05 -0.37 0.08 0.00 -0.71 0.00 0.00 52.86 51.81 1a49 s ASN 4409Cb -0.14 -0.97 0.38 0.00 0.41 0.00 0.00 41.25 40.94 1a49 s ASN 4409CO -0.02 -0.01 0.95 0.18 -1.51 0.00 0.00 177.10 176.69 1a49 n LEU 4410N 4.28 3.47 -4.43 0.60 4.32 -1.26 -2.02 117.00 121.96 1a49 n LEU 4410Ca -0.19 -5.17 -0.45 0.00 -0.02 0.00 0.00 56.01 50.19 1a49 n LEU 4410Cb 0.51 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 42.13 1a49 n LEU 4410CO 0.23 2.21 0.04 -0.81 -1.22 0.00 0.00 177.39 177.83 1a49 n PRO 4411N -0.19 0.36 -3.31 3.23 -0.05 -1.26 -2.68 135.00 131.10 1a49 n PRO 4411Ca 0.29 0.13 -0.16 0.00 -0.05 0.00 0.00 63.50 63.71 1a49 n PRO 4411Cb 0.57 -1.26 0.08 0.00 -0.05 0.00 0.00 33.50 32.84 1a49 n PRO 4411CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1a49 n GLY 4412N 1.87 -0.89 3.63 0.55 0.00 -1.26 -4.97 105.19 104.12 1a49 n GLY 4412Ca 0.14 0.42 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 1a49 n GLY 4412CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 4413N -3.38 -1.87 -0.25 4.61 0.00 -1.09 -5.08 121.76 114.70 1a49 s ALA 4413Ca 0.30 2.04 -0.29 0.00 0.00 0.00 0.00 51.96 54.01 1a49 s ALA 4413Cb -0.04 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1a49 s ALA 4413CO 0.74 -0.31 1.77 0.00 0.00 0.00 0.00 175.76 177.96 1a49 s ALA 4414N 0.52 3.07 -0.43 0.00 0.00 -1.26 -4.98 121.76 118.68 1a49 s ALA 4414Ca -0.01 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1a49 s ALA 4414Cb -0.05 -3.94 0.13 0.00 0.00 0.00 0.00 23.12 19.26 1a49 s ALA 4414CO -0.04 -2.29 0.23 0.08 0.00 0.00 0.00 175.76 173.74 1a49 s VAL 4415N 6.15 1.37 -0.87 0.00 1.01 -1.26 -4.80 120.40 122.00 1a49 s VAL 4415Ca 0.79 -2.48 -0.25 0.00 0.00 0.00 0.00 61.98 60.04 1a49 s VAL 4415Cb -0.26 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 1a49 s VAL 4415CO 0.32 -0.88 1.70 -0.62 0.00 0.00 0.00 175.10 175.62 1a49 s ASP 4416N 0.44 5.71 -0.02 3.32 2.15 -1.26 -4.92 116.67 122.08 1a49 s ASP 4416Ca 0.17 -0.70 0.01 0.00 0.43 0.00 0.00 52.55 52.46 1a49 s ASP 4416Cb -0.24 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.83 1a49 s ASP 4416CO -0.01 -2.19 -0.05 -0.76 -0.17 0.00 0.00 175.17 171.99 1a49 s LEU 4417N 7.81 1.66 0.41 -1.34 1.02 -1.26 -5.12 118.68 121.85 1a49 s LEU 4417Ca 0.58 -0.11 -0.25 0.00 0.02 0.00 0.00 54.13 54.36 1a49 s LEU 4417Cb -0.06 -0.37 -0.08 0.00 0.02 0.00 0.00 46.19 45.69 1a49 s LEU 4417CO 0.02 0.01 1.21 -2.16 0.02 0.00 0.00 176.35 175.45 1a49 s PRO 4418N 0.39 4.00 0.26 1.29 0.04 -1.26 -4.93 135.00 134.79 1a49 s PRO 4418Ca -0.05 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 1a49 s PRO 4418Cb -0.09 -2.69 0.53 0.00 0.04 0.00 0.00 34.50 32.29 1a49 s PRO 4418CO -0.00 -0.39 1.73 0.00 0.04 0.00 0.00 177.00 178.38 1a49 h ALA 4419N 2.61 1.19 -3.34 8.56 0.00 -1.98 -3.36 119.26 122.94 1a49 h ALA 4419Ca -0.49 0.11 -0.45 0.00 0.00 0.00 0.00 54.91 54.08 1a49 h ALA 4419Cb 1.24 0.07 -0.36 0.00 0.00 0.00 0.00 17.79 18.74 1a49 h ALA 4419CO 0.62 -0.19 -0.78 0.08 0.00 0.00 0.00 179.25 178.98 1a49 s VAL 4420N -5.98 0.66 0.57 0.00 1.01 -1.26 -4.23 120.40 111.16 1a49 s VAL 4420Ca -0.12 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1a49 s VAL 4420Cb 0.22 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.95 1a49 s VAL 4420CO 0.77 0.28 0.54 -0.94 0.00 0.00 0.00 175.10 175.75 1a49 s SER 4421N 1.33 4.74 0.17 3.32 1.04 -1.26 -4.98 113.70 118.07 1a49 s SER 4421Ca -0.04 -1.17 -0.14 0.00 0.48 0.00 0.00 55.95 55.09 1a49 s SER 4421Cb -0.14 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.54 1a49 s SER 4421CO -0.03 -1.23 1.81 -0.33 0.98 0.00 0.00 173.24 174.44 1a49 h GLU 4422N 0.53 0.74 -0.37 4.02 5.08 -1.99 -0.69 114.58 121.91 1a49 h GLU 4422Ca -0.34 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 1a49 h GLU 4422Cb 1.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1a49 h GLU 4422CO 0.52 0.53 -0.32 0.87 -1.00 0.00 0.00 179.01 179.61 1a49 h LYS 4423N 0.74 0.82 0.07 2.33 1.57 -1.98 -0.44 116.57 119.67 1a49 h LYS 4423Ca 0.20 -0.39 0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1a49 h LYS 4423Cb -0.02 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 1a49 h LYS 4423CO -0.04 1.02 -0.34 -0.44 -0.57 0.00 0.00 179.45 179.08 1a49 h ASP 4424N 0.69 -1.00 -0.88 0.86 3.32 -1.79 0.54 116.42 118.15 1a49 h ASP 4424Ca 0.07 0.12 0.13 0.00 0.02 0.00 0.00 57.03 57.38 1a49 h ASP 4424Cb 0.87 0.39 -0.09 0.00 0.22 0.00 0.00 39.33 40.72 1a49 h ASP 4424CO 0.08 -0.41 0.49 0.40 -1.72 0.00 0.00 179.24 178.07 1a49 h ILE 4425N -0.53 0.79 -0.76 0.35 2.04 -1.05 1.59 117.51 119.94 1a49 h ILE 4425Ca 0.04 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1a49 h ILE 4425Cb 0.59 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1a49 h ILE 4425CO -0.24 0.13 0.45 1.56 0.00 0.00 0.00 178.15 180.06 1a49 h GLN 4426N 0.72 1.03 0.13 2.37 4.20 0.08 -1.06 115.11 122.59 1a49 h GLN 4426Ca 0.46 -0.10 -0.30 0.00 0.06 0.00 0.00 58.65 58.78 1a49 h GLN 4426Cb 0.59 -0.22 0.03 0.00 0.30 0.00 0.00 27.48 28.18 1a49 h GLN 4426CO -0.32 0.73 -1.25 -0.44 -0.67 0.00 0.00 178.83 176.88 1a49 h ASP 4427N 1.04 0.88 0.19 1.46 3.32 0.62 -1.91 116.42 122.01 1a49 h ASP 4427Ca 0.27 -0.83 0.01 0.00 0.02 0.00 0.00 57.03 56.51 1a49 h ASP 4427Cb -0.03 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 1a49 h ASP 4427CO -0.05 1.62 -0.37 -0.07 -1.72 0.00 0.00 179.24 178.65 1a49 h LEU 4428N 0.25 -1.06 -1.19 1.55 3.38 0.18 0.12 115.31 118.55 1a49 h LEU 4428Ca -0.19 0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.02 1a49 h LEU 4428Cb 1.92 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 42.99 1a49 h LEU 4428CO 0.24 -0.47 0.59 0.11 0.09 0.00 0.00 178.44 179.00 1a49 h LYS 4429N -0.64 0.79 -0.59 1.13 1.79 -1.27 0.33 116.57 118.11 1a49 h LYS 4429Ca 0.01 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1a49 h LYS 4429Cb 0.65 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 1a49 h LYS 4429CO -0.18 0.52 0.35 0.35 -1.08 0.00 0.00 179.45 179.41 1a49 h PHE 4430N 0.81 0.77 -0.54 -1.35 3.57 -0.30 -2.43 116.94 117.47 1a49 h PHE 4430Ca 0.46 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.92 1a49 h PHE 4430Cb 0.59 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1a49 h PHE 4430CO -0.00 0.52 0.18 0.78 -2.23 0.00 0.00 178.31 177.55 1a49 h GLY 4431N 0.85 0.89 0.73 2.40 0.00 0.22 0.14 103.07 108.30 1a49 h GLY 4431Ca 0.21 -0.52 0.06 0.00 0.00 0.00 0.00 47.33 47.08 1a49 h GLY 4431CO -0.04 0.49 0.52 -2.08 0.00 0.00 0.00 176.54 175.43 1a49 h VAL 4432N 0.74 1.04 -0.41 4.60 2.07 -1.08 0.44 116.25 123.66 1a49 h VAL 4432Ca 0.17 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 1a49 h VAL 4432Cb 0.27 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1a49 h VAL 4432CO -0.01 0.17 -0.20 -0.33 0.02 0.00 0.00 177.57 177.22 1a49 h GLU 4433N 0.95 0.79 -0.00 1.57 5.08 -1.01 -2.16 114.58 119.81 1a49 h GLU 4433Ca 0.37 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1a49 h GLU 4433Cb 0.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1a49 h GLU 4433CO -0.17 0.93 -0.03 1.04 -1.00 0.00 0.00 179.01 179.78 1a49 n GLN 4434N -4.12 1.01 -3.42 2.33 1.13 0.44 -4.91 117.38 109.84 1a49 n GLN 4434Ca 0.00 -0.28 -0.18 0.00 -1.94 0.00 0.00 57.00 54.60 1a49 n GLN 4434Cb 0.42 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.35 1a49 n GLN 4434CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a49 n ASP 4435N -0.75 -3.89 -4.82 1.08 2.03 0.14 -4.96 116.55 105.38 1a49 n ASP 4435Ca 0.19 -0.72 -0.32 0.00 0.52 0.00 0.00 54.79 54.47 1a49 n ASP 4435Cb 0.22 -4.86 0.02 0.00 -0.72 0.00 0.00 41.12 35.78 1a49 n ASP 4435CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1a49 s VAL 4436N -3.43 4.05 -0.23 5.18 -7.23 -0.45 -4.94 120.40 113.35 1a49 s VAL 4436Ca 0.21 0.84 0.17 0.00 -1.81 0.00 0.00 61.98 61.39 1a49 s VAL 4436Cb -0.04 -3.47 0.13 0.00 0.56 0.00 0.00 36.38 33.57 1a49 s VAL 4436CO 0.76 -0.70 1.48 0.44 -0.31 0.00 0.00 175.10 176.76 1a49 h ASP 4437N 0.03 0.00 -5.33 4.85 3.32 -1.52 -3.46 116.42 114.31 1a49 h ASP 4437Ca -0.46 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.79 1a49 h ASP 4437Cb 1.21 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 1a49 h ASP 4437CO 0.58 0.37 0.54 0.00 -1.72 0.00 0.00 179.24 179.01 1a49 s MET 4438N -3.02 1.04 -0.08 3.56 0.23 -1.07 -2.83 119.30 117.13 1a49 s MET 4438Ca 0.05 -0.56 0.02 0.00 -1.03 0.00 0.00 55.69 54.17 1a49 s MET 4438Cb 0.07 0.36 0.01 0.00 -1.53 0.00 0.00 34.83 33.74 1a49 s MET 4438CO 0.73 -0.47 -0.14 0.08 -2.03 0.00 0.00 175.02 173.18 1a49 s VAL 4439N -3.14 1.28 -0.54 5.16 1.01 0.25 -1.86 120.40 122.57 1a49 s VAL 4439Ca 0.12 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 1a49 s VAL 4439Cb -0.00 -1.17 0.08 0.00 0.00 0.00 0.00 36.38 35.29 1a49 s VAL 4439CO 0.00 0.39 0.63 -0.36 0.00 0.00 0.00 175.10 175.76 1a49 s PHE 4440N 0.69 3.06 -0.26 5.22 0.08 -0.13 1.00 117.98 127.64 1a49 s PHE 4440Ca -0.14 -0.78 -0.20 0.00 0.12 0.00 0.00 56.93 55.94 1a49 s PHE 4440Cb -0.16 -3.70 -0.02 0.00 -0.57 0.00 0.00 43.02 38.57 1a49 s PHE 4440CO 0.04 -1.11 0.61 0.00 -0.10 0.00 0.00 175.22 174.65 1a49 s ALA 4441N 2.51 3.60 0.26 5.36 0.00 0.32 -1.82 121.76 131.99 1a49 s ALA 4441Ca 0.12 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 1a49 s ALA 4441Cb -0.22 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 1a49 s ALA 4441CO 0.09 -0.81 1.10 -1.12 0.00 0.00 0.00 175.76 175.01 1a49 s SER 4442N 1.50 7.27 -1.45 0.00 0.01 -1.26 -0.78 113.70 119.00 1a49 s SER 4442Ca 0.25 2.23 -0.07 0.00 1.31 0.00 0.00 55.95 59.67 1a49 s SER 4442Cb -0.15 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.49 1a49 s SER 4442CO 0.09 -0.15 0.64 0.49 0.41 0.00 0.00 173.24 174.71 1a49 n PHE 4443N 1.45 -2.00 -1.69 2.43 3.01 -1.25 -4.52 117.46 114.89 1a49 n PHE 4443Ca -0.00 0.57 -0.44 0.00 1.01 0.00 0.00 57.45 58.59 1a49 n PHE 4443Cb 0.45 -3.93 -0.04 0.00 -0.01 0.00 0.00 39.48 35.96 1a49 n PHE 4443CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1a49 n ILE 4444N -4.36 0.12 0.15 4.37 2.08 -1.13 -4.84 119.36 115.75 1a49 n ILE 4444Ca -0.06 -0.02 0.04 0.00 0.56 0.00 0.00 62.75 63.27 1a49 n ILE 4444Cb 0.58 -1.82 -0.05 0.00 -0.75 0.00 0.00 39.64 37.60 1a49 n ILE 4444CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1a49 n ARG 4445N 4.29 2.18 -3.74 0.38 1.74 -1.26 -4.20 116.66 116.04 1a49 n ARG 4445Ca 0.17 -0.04 -0.06 0.00 -0.77 0.00 0.00 57.85 57.16 1a49 n ARG 4445Cb 0.32 -1.02 -0.02 0.00 -1.02 0.00 0.00 32.46 30.72 1a49 n ARG 4445CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1a49 s LYS 4446N -2.14 1.37 0.28 5.56 -2.85 -1.26 -4.21 119.74 116.49 1a49 s LYS 4446Ca -0.00 -0.72 -0.01 0.00 -1.00 0.00 0.00 55.97 54.24 1a49 s LYS 4446Cb 0.05 0.49 0.48 0.00 -2.06 0.00 0.00 37.83 36.79 1a49 s LYS 4446CO 0.30 -0.62 1.87 0.00 0.10 0.00 0.00 175.35 176.99 1a49 h ALA 4447N 2.00 1.46 -0.86 0.59 0.00 -1.87 -1.33 119.26 119.25 1a49 h ALA 4447Ca -0.23 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.77 1a49 h ALA 4447Cb 1.25 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1a49 h ALA 4447CO 0.26 0.36 0.56 0.00 0.00 0.00 0.00 179.25 180.43 1a49 h ALA 4448N 1.49 1.69 -0.53 0.00 0.00 -1.96 -0.29 119.26 119.67 1a49 h ALA 4448Ca 0.45 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.38 1a49 h ALA 4448Cb 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1a49 h ALA 4448CO -0.20 0.12 0.34 -0.44 0.00 0.00 0.00 179.25 179.07 1a49 h ASP 4449N 0.82 0.56 -0.72 0.00 3.32 -1.65 0.14 116.42 118.89 1a49 h ASP 4449Ca 0.40 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.49 1a49 h ASP 4449Cb 0.45 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 1a49 h ASP 4449CO -0.17 0.40 0.43 0.58 -1.72 0.00 0.00 179.24 178.76 1a49 h VAL 4450N 0.68 1.03 0.10 -1.35 2.07 -1.08 -0.75 116.25 116.94 1a49 h VAL 4450Ca 0.20 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1a49 h VAL 4450Cb -0.03 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1a49 h VAL 4450CO -0.07 0.15 -0.14 0.45 0.02 0.00 0.00 177.57 177.98 1a49 h HIS 4451N 0.81 -0.36 -0.43 1.57 3.86 -0.52 0.53 115.15 120.61 1a49 h HIS 4451Ca 0.31 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.56 1a49 h HIS 4451Cb 0.12 0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1a49 h HIS 4451CO -0.05 -0.21 0.29 0.93 0.86 0.00 0.00 177.93 179.74 1a49 h GLU 4452N -0.28 0.43 -0.15 2.45 5.08 -0.16 0.29 114.58 122.24 1a49 h GLU 4452Ca 0.02 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1a49 h GLU 4452Cb 0.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1a49 h GLU 4452CO -0.07 0.28 -0.68 0.28 -1.00 0.00 0.00 179.01 177.83 1a49 h VAL 4453N 0.44 1.32 -0.22 3.13 2.07 -0.06 -1.85 116.25 121.08 1a49 h VAL 4453Ca 0.18 -1.96 0.03 0.00 0.82 0.00 0.00 66.70 65.77 1a49 h VAL 4453Cb 0.15 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1a49 h VAL 4453CO -0.04 0.61 0.04 -0.09 0.02 0.00 0.00 177.57 178.11 1a49 h ARG 4454N 0.44 0.12 -0.13 1.57 9.65 0.25 -2.43 114.38 123.86 1a49 h ARG 4454Ca -0.02 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1a49 h ARG 4454Cb 1.27 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.77 1a49 h ARG 4454CO 0.13 0.08 -0.39 0.87 2.80 0.00 0.00 179.97 183.46 1a49 h LYS 4455N 0.12 -0.38 -0.56 0.20 1.79 -0.40 -0.39 116.57 116.95 1a49 h LYS 4455Ca 0.10 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.68 1a49 h LYS 4455Cb 0.10 0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 30.73 1a49 h LYS 4455CO -0.14 -0.25 -0.44 0.82 -1.08 0.00 0.00 179.45 178.36 1a49 h ILE 4456N -0.39 0.08 -0.10 1.86 1.08 -1.20 0.79 117.51 119.63 1a49 h ILE 4456Ca 0.03 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.52 1a49 h ILE 4456Cb 0.47 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1a49 h ILE 4456CO -0.33 0.00 0.08 -0.07 -0.69 0.00 0.00 178.15 177.14 1a49 h LEU 4457N -0.24 0.00 0.00 1.44 3.38 -1.25 -3.46 115.31 115.18 1a49 h LEU 4457Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1a49 h LEU 4457Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1a49 h LEU 4457CO -0.68 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.46 1a49 n GLY 4458N -1.47 0.65 0.22 0.83 0.00 0.27 -0.41 105.19 105.29 1a49 n GLY 4458Ca -0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 1a49 n GLY 4458CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a49 h GLU 4459N 0.00 0.47 -0.13 1.61 4.57 -1.87 0.18 114.58 119.40 1a49 h GLU 4459Ca 0.00 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1a49 h GLU 4459Cb 0.00 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1a49 h GLU 4459CO 0.00 0.31 -0.09 -0.22 -1.18 0.00 0.00 179.01 177.84 1a49 h LYS 4460N 0.48 0.20 -1.12 1.92 3.64 -1.95 -3.02 116.57 116.73 1a49 h LYS 4460Ca 0.26 -0.04 -0.61 0.00 -1.27 0.00 0.00 60.65 58.99 1a49 h LYS 4460Cb 0.23 -0.03 -0.38 0.00 -0.41 0.00 0.00 32.23 31.63 1a49 h LYS 4460CO -0.21 0.30 -0.22 0.41 -2.27 0.00 0.00 179.45 177.45 1a49 n GLY 4461N -1.03 6.11 0.22 5.01 0.00 0.45 -4.70 105.19 111.25 1a49 n GLY 4461Ca -0.01 -2.59 0.11 0.00 0.00 0.00 0.00 46.02 43.53 1a49 n GLY 4461CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a49 h LYS 4462N 2.32 0.00 -0.52 1.61 2.10 -1.30 -3.01 116.57 117.76 1a49 h LYS 4462Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 1a49 h LYS 4462Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1a49 h LYS 4462CO 1.04 0.15 0.00 0.09 -2.00 0.00 0.00 179.45 178.72 1a49 n ASN 4463N -3.19 3.05 -4.69 7.07 5.03 -1.26 -4.87 115.26 116.39 1a49 n ASN 4463Ca 0.02 -1.98 -0.38 0.00 0.87 0.00 0.00 54.58 53.12 1a49 n ASN 4463Cb 0.49 -0.35 -0.07 0.00 -1.02 0.00 0.00 39.78 38.83 1a49 n ASN 4463CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a49 s ILE 4464N -1.30 5.21 0.22 2.41 1.01 -1.14 -4.95 121.20 122.66 1a49 s ILE 4464Ca 0.38 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.46 1a49 s ILE 4464Cb 0.20 -3.73 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 1a49 s ILE 4464CO 0.27 0.29 1.24 -0.54 0.00 0.00 0.00 174.94 176.20 1a49 s LYS 4465N 1.06 4.45 -0.41 2.79 -0.14 -1.13 -4.82 119.74 121.55 1a49 s LYS 4465Ca 0.20 1.99 -0.13 0.00 -1.36 0.00 0.00 55.97 56.66 1a49 s LYS 4465Cb -0.14 -3.19 0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1a49 s LYS 4465CO 0.08 -0.13 0.29 0.42 -0.76 0.00 0.00 175.35 175.25 1a49 s ILE 4466N -0.30 4.98 -0.40 2.17 1.01 -1.26 0.85 121.20 128.25 1a49 s ILE 4466Ca 0.53 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 1a49 s ILE 4466Cb -0.35 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.31 1a49 s ILE 4466CO 0.40 -0.36 0.27 -0.63 0.00 0.00 0.00 174.94 174.63 1a49 s ILE 4467N 1.62 5.04 0.06 2.92 -1.09 0.28 -1.80 121.20 128.23 1a49 s ILE 4467Ca 0.04 -0.74 -0.29 0.00 -2.23 0.00 0.00 60.65 57.42 1a49 s ILE 4467Cb -0.20 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.81 1a49 s ILE 4467CO 0.08 -0.30 0.95 -0.44 -1.23 0.00 0.00 174.94 174.00 1a49 s SER 4468N 1.67 7.42 -0.28 3.58 0.01 0.16 -0.52 113.70 125.73 1a49 s SER 4468Ca 0.04 1.71 -0.17 0.00 1.31 0.00 0.00 55.95 58.84 1a49 s SER 4468Cb -0.19 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 1a49 s SER 4468CO 0.09 -0.13 0.47 -0.54 0.41 0.00 0.00 173.24 173.54 1a49 s LYS 4469N 0.37 3.98 -0.44 12.44 1.02 0.04 -1.05 119.74 136.11 1a49 s LYS 4469Ca 0.48 0.16 -0.20 0.00 0.02 0.00 0.00 55.97 56.42 1a49 s LYS 4469Cb -0.22 -3.68 0.02 0.00 -0.52 0.00 0.00 37.83 33.44 1a49 s LYS 4469CO 0.28 -0.37 0.61 0.42 -0.92 0.00 0.00 175.35 175.37 1a49 s ILE 4470N 2.25 4.87 -0.01 2.17 -1.09 -0.59 -2.85 121.20 125.94 1a49 s ILE 4470Ca 0.19 0.01 0.14 0.00 -2.23 0.00 0.00 60.65 58.76 1a49 s ILE 4470Cb -0.16 -4.18 0.23 0.00 -1.58 0.00 0.00 42.46 36.78 1a49 s ILE 4470CO 0.10 -0.58 1.10 -1.84 -1.23 0.00 0.00 174.94 172.49 1a49 n GLU 4471N 6.15 0.09 -3.77 2.79 0.28 -1.26 -1.07 120.64 123.85 1a49 n GLU 4471Ca -0.03 -1.61 -0.02 0.00 -0.16 0.00 0.00 57.16 55.34 1a49 n GLU 4471Cb 0.48 -0.32 -0.00 0.00 1.43 0.00 0.00 31.44 33.02 1a49 n GLU 4471CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a49 s ASN 4472N -1.62 -0.10 0.15 -1.84 4.22 -1.26 -3.65 114.94 110.84 1a49 s ASN 4472Ca 0.19 -0.42 -0.20 0.00 -2.14 0.00 0.00 52.86 50.29 1a49 s ASN 4472Cb 0.21 0.42 0.05 0.00 1.28 0.00 0.00 41.25 43.21 1a49 s ASN 4472CO -0.09 -0.79 1.65 0.45 -2.04 0.00 0.00 177.10 176.28 1a49 h HIS 4473N 2.00 -0.40 -0.76 1.54 3.86 -1.93 -2.01 115.15 117.44 1a49 h HIS 4473Ca -0.26 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 58.96 1a49 h HIS 4473Cb 1.22 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.88 1a49 h HIS 4473CO 0.64 -0.24 0.37 1.49 0.86 0.00 0.00 177.93 181.06 1a49 h GLU 4474N -0.12 1.10 -0.65 2.45 4.81 -1.94 0.54 114.58 120.76 1a49 h GLU 4474Ca 0.16 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1a49 h GLU 4474Cb 0.36 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1a49 h GLU 4474CO -0.38 0.85 0.39 0.78 -0.73 0.00 0.00 179.01 179.92 1a49 h GLY 4475N 1.07 0.94 0.77 1.92 0.00 -1.62 0.81 103.07 106.96 1a49 h GLY 4475Ca 0.26 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1a49 h GLY 4475CO -0.03 0.22 -0.15 -2.08 0.00 0.00 0.00 176.54 174.50 1a49 h VAL 4476N 0.75 1.34 -0.93 4.60 2.07 -0.66 -2.57 116.25 120.85 1a49 h VAL 4476Ca 0.27 -1.29 0.18 0.00 0.82 0.00 0.00 66.70 66.68 1a49 h VAL 4476Cb 0.07 1.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 1a49 h VAL 4476CO -0.13 0.38 0.60 -0.09 0.02 0.00 0.00 177.57 178.35 1a49 h ARG 4477N 0.04 0.58 -0.31 1.57 2.43 0.71 -2.41 114.38 116.98 1a49 h ARG 4477Ca 0.03 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1a49 h ARG 4477Cb 0.67 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.01 1a49 h ARG 4477CO 0.04 0.38 -0.06 0.54 -1.51 0.00 0.00 179.97 179.35 1a49 n ARG 4478N -4.59 2.04 -0.13 0.20 1.74 0.22 -4.84 116.66 111.31 1a49 n ARG 4478Ca 0.20 -3.08 -0.04 0.00 -0.77 0.00 0.00 57.85 54.15 1a49 n ARG 4478Cb 0.59 -1.80 0.04 0.00 -1.02 0.00 0.00 32.46 30.27 1a49 n ARG 4478CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a49 h PHE 4479N 1.12 0.16 -0.06 -1.55 3.57 -1.00 -2.63 116.94 116.56 1a49 h PHE 4479Ca 0.16 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1a49 h PHE 4479Cb 1.57 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 40.25 1a49 h PHE 4479CO 0.86 0.03 -0.25 -0.44 -2.23 0.00 0.00 178.31 176.27 1a49 h ASP 4480N 0.23 -0.77 0.17 0.41 3.32 -1.88 0.90 116.42 118.81 1a49 h ASP 4480Ca 0.20 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1a49 h ASP 4480Cb 0.24 0.33 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1a49 h ASP 4480CO -0.25 -0.31 -0.11 1.05 -1.72 0.00 0.00 179.24 177.89 1a49 h GLU 4481N -0.36 0.00 -0.19 3.56 4.11 -1.95 0.33 114.58 120.08 1a49 h GLU 4481Ca 0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.44 1a49 h GLU 4481Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1a49 h GLU 4481CO -0.27 0.11 -0.14 0.82 0.07 0.00 0.00 179.01 179.60 1a49 h ILE 4482N 0.00 1.33 -0.25 -1.06 2.04 -0.56 -1.67 117.51 117.34 1a49 h ILE 4482Ca -0.00 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.60 1a49 h ILE 4482Cb 0.22 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1a49 h ILE 4482CO 0.01 0.38 0.14 0.25 0.00 0.00 0.00 178.15 178.93 1a49 h LEU 4483N 0.09 0.22 -1.50 1.44 5.85 0.23 -1.76 115.31 119.89 1a49 h LEU 4483Ca 0.03 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1a49 h LEU 4483Cb 0.66 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1a49 h LEU 4483CO 0.04 0.16 0.36 -0.08 -0.34 0.00 0.00 178.44 178.59 1a49 h GLU 4484N 0.29 0.65 0.00 1.25 4.57 -0.27 -0.38 114.58 120.68 1a49 h GLU 4484Ca 0.10 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1a49 h GLU 4484Cb 0.00 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1a49 h GLU 4484CO -0.05 0.43 -0.32 0.00 -1.18 0.00 0.00 179.01 177.89 1a49 h ALA 4485N 1.68 0.84 -1.79 2.92 0.00 -0.91 -3.46 119.26 118.52 1a49 h ALA 4485Ca 0.21 -0.29 -0.46 0.00 0.00 0.00 0.00 54.91 54.37 1a49 h ALA 4485Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1a49 h ALA 4485CO -0.05 0.39 -0.38 -1.12 0.00 0.00 0.00 179.25 178.09 1a49 s SER 4486N -6.32 5.65 0.12 0.00 0.01 -0.15 -4.93 113.70 108.07 1a49 s SER 4486Ca 0.04 -0.34 0.04 0.00 1.31 0.00 0.00 55.95 57.00 1a49 s SER 4486Cb 0.08 -1.08 -0.18 0.00 0.21 0.00 0.00 66.02 65.05 1a49 s SER 4486CO 0.70 -0.42 1.27 0.44 0.41 0.00 0.00 173.24 175.64 1a49 h ASP 4487N 1.03 0.12 -5.63 2.44 3.32 -1.62 -3.47 116.42 112.60 1a49 h ASP 4487Ca -0.45 -0.12 0.28 0.00 0.02 0.00 0.00 57.03 56.76 1a49 h ASP 4487Cb 1.26 -0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.67 1a49 h ASP 4487CO 0.55 1.06 0.72 -0.83 -1.72 0.00 0.00 179.24 179.02 1a49 s GLY 4488N -4.67 -0.30 0.05 2.75 0.00 -1.06 -4.18 107.32 99.90 1a49 s GLY 4488Ca -0.01 0.41 0.04 0.00 0.00 0.00 0.00 44.72 45.16 1a49 s GLY 4488CO 0.83 0.69 -0.11 -0.42 0.00 0.00 0.00 173.10 174.09 1a49 s ILE 4489N -2.61 0.86 -0.11 0.90 -1.09 -0.63 0.39 121.20 118.91 1a49 s ILE 4489Ca 0.15 -1.07 0.03 0.00 -2.23 0.00 0.00 60.65 57.53 1a49 s ILE 4489Cb 0.02 -0.84 0.01 0.00 -1.58 0.00 0.00 42.46 40.07 1a49 s ILE 4489CO -0.01 -0.20 -0.21 -0.32 -1.23 0.00 0.00 174.94 172.97 1a49 s MET 4490N -1.42 2.77 -0.63 2.79 -2.45 -0.21 0.10 119.30 120.26 1a49 s MET 4490Ca -0.04 -0.77 -0.24 0.00 -1.25 0.00 0.00 55.69 53.39 1a49 s MET 4490Cb -0.09 -2.20 0.05 0.00 1.25 0.00 0.00 34.83 33.84 1a49 s MET 4490CO 0.01 0.04 1.01 0.08 1.05 0.00 0.00 175.02 177.22 1a49 s VAL 4491N 0.68 4.25 -1.17 10.11 1.01 0.33 -1.55 120.40 134.05 1a49 s VAL 4491Ca -0.12 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1a49 s VAL 4491Cb -0.16 -4.66 0.22 0.00 0.00 0.00 0.00 36.38 31.77 1a49 s VAL 4491CO 0.02 -1.38 1.30 0.00 0.00 0.00 0.00 175.10 175.05 1a49 n ALA 4492N 7.89 4.09 0.20 5.51 0.00 -0.23 -2.33 120.51 135.64 1a49 n ALA 4492Ca -0.00 -4.45 0.06 0.00 0.00 0.00 0.00 53.44 49.05 1a49 n ALA 4492Cb 0.47 -2.77 0.52 0.00 0.00 0.00 0.00 19.45 17.67 1a49 n ALA 4492CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 h ARG 4493N 6.86 0.09 -0.02 0.00 3.08 -1.79 -1.43 114.38 121.17 1a49 h ARG 4493Ca 0.26 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1a49 h ARG 4493Cb 0.86 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1a49 h ARG 4493CO 1.15 0.17 -0.18 0.78 -1.07 0.00 0.00 179.97 180.82 1a49 h GLY 4494N 0.39 -1.36 1.34 0.04 0.00 -1.82 0.18 103.07 101.84 1a49 h GLY 4494Ca 0.02 0.65 -0.14 0.00 0.00 0.00 0.00 47.33 47.86 1a49 h GLY 4494CO 0.01 -0.45 -0.36 -0.55 0.00 0.00 0.00 176.54 175.19 1a49 h ASP 4495N -0.21 0.77 -0.38 0.19 3.32 -1.88 -3.02 116.42 115.21 1a49 h ASP 4495Ca 0.01 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 1a49 h ASP 4495Cb 0.23 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1a49 h ASP 4495CO -0.13 1.05 0.24 0.25 -1.72 0.00 0.00 179.24 178.93 1a49 h LEU 4496N 0.61 0.46 -2.06 1.55 5.85 -1.04 -0.83 115.31 119.85 1a49 h LEU 4496Ca 0.06 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1a49 h LEU 4496Cb 0.89 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1a49 h LEU 4496CO 0.08 0.36 -0.08 1.23 -0.34 0.00 0.00 178.44 179.68 1a49 h GLY 4497N 0.58 0.00 0.19 3.75 0.00 -0.51 -0.22 103.07 106.86 1a49 h GLY 4497Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.10 1a49 h GLY 4497CO -0.03 0.00 -2.31 0.29 0.00 0.00 0.00 176.54 174.49 1a49 n ILE 4498N -3.57 1.54 -0.23 2.60 -0.00 -0.80 -3.71 119.36 115.19 1a49 n ILE 4498Ca -0.02 -0.66 -0.01 0.00 -0.00 0.00 0.00 62.75 62.06 1a49 n ILE 4498Cb 0.21 -1.26 0.19 0.00 -0.00 0.00 0.00 39.64 38.78 1a49 n ILE 4498CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1a49 h GLU 4499N 0.01 1.02 -5.36 6.28 4.39 -0.88 -3.45 114.58 116.59 1a49 h GLU 4499Ca -0.52 -0.11 -0.46 0.00 0.34 0.00 0.00 59.36 58.61 1a49 h GLU 4499Cb 2.00 -0.21 -0.14 0.00 -0.10 0.00 0.00 28.75 30.31 1a49 h GLU 4499CO -0.02 0.74 -0.66 0.96 -1.16 0.00 0.00 179.01 178.87 1a49 s ILE 4500N -5.70 1.42 0.25 3.13 -4.36 -0.12 -4.68 121.20 111.14 1a49 s ILE 4500Ca -0.11 -2.08 -0.31 0.00 -0.26 0.00 0.00 60.65 57.89 1a49 s ILE 4500Cb 0.17 -2.47 -0.12 0.00 1.25 0.00 0.00 42.46 41.29 1a49 s ILE 4500CO 0.80 -0.27 1.67 -2.84 0.24 0.00 0.00 174.94 174.54 1a49 s PRO 4501N -3.78 4.12 0.28 0.37 0.02 -1.26 -4.52 135.00 130.22 1a49 s PRO 4501Ca 0.30 2.60 -0.01 0.00 0.02 0.00 0.00 61.00 63.91 1a49 s PRO 4501Cb 0.05 -3.05 0.62 0.00 0.02 0.00 0.00 34.50 32.14 1a49 s PRO 4501CO 0.11 -0.70 1.63 0.00 -0.33 0.00 0.00 177.00 177.72 1a49 h ALA 4502N 5.86 1.09 0.00 -1.55 0.00 -1.91 0.44 119.26 123.20 1a49 h ALA 4502Ca -0.45 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a49 h ALA 4502Cb 1.21 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1a49 h ALA 4502CO 0.88 -0.46 0.00 -0.85 0.00 0.00 0.00 179.25 178.82 1a49 n GLU 4503N -5.30 0.02 -0.00 0.00 0.00 -1.26 -2.69 120.64 111.42 1a49 n GLU 4503Ca 0.19 0.45 0.09 0.00 0.00 0.00 0.00 57.16 57.89 1a49 n GLU 4503Cb 0.62 -1.56 -0.12 0.00 0.00 0.00 0.00 31.44 30.38 1a49 n GLU 4503CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a49 n LYS 4504N -1.61 0.70 0.04 3.44 5.02 0.15 -4.61 118.16 121.30 1a49 n LYS 4504Ca 0.01 -0.03 0.04 0.00 -2.02 0.00 0.00 58.31 56.31 1a49 n LYS 4504Cb 0.06 -1.41 0.43 0.00 -0.02 0.00 0.00 35.03 34.09 1a49 n LYS 4504CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a49 h VAL 4505N 0.00 1.11 0.00 -0.18 2.07 -1.45 -2.59 116.25 115.21 1a49 h VAL 4505Ca 0.00 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1a49 h VAL 4505Cb 0.53 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1a49 h VAL 4505CO 0.00 0.12 -0.41 2.19 0.02 0.00 0.00 177.57 179.49 1a49 h PHE 4506N 0.46 0.00 -0.13 1.57 -0.00 -1.81 -0.39 116.94 116.63 1a49 h PHE 4506Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.07 1a49 h PHE 4506Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.97 1a49 h PHE 4506CO 0.00 0.41 0.02 -0.07 -0.00 0.00 0.00 178.31 178.66 1a49 h LEU 4507N 0.00 0.21 -0.36 2.10 3.38 -1.78 -1.83 115.31 117.03 1a49 h LEU 4507Ca -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1a49 h LEU 4507Cb 0.94 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1a49 h LEU 4507CO 0.05 0.42 0.17 0.00 0.09 0.00 0.00 178.44 179.17 1a49 h ALA 4508N 0.79 0.46 -0.78 1.53 0.00 -1.40 -0.57 119.26 119.29 1a49 h ALA 4508Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a49 h ALA 4508Cb 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1a49 h ALA 4508CO 0.00 0.03 0.48 0.37 0.00 0.00 0.00 179.25 180.13 1a49 h GLN 4509N 0.44 1.06 -0.04 0.00 4.15 -1.04 0.15 115.11 119.82 1a49 h GLN 4509Ca 0.12 -0.09 -0.19 0.00 0.77 0.00 0.00 58.65 59.26 1a49 h GLN 4509Cb 0.13 -0.22 0.01 0.00 0.21 0.00 0.00 27.48 27.61 1a49 h GLN 4509CO -0.01 0.74 -0.72 0.87 -1.93 0.00 0.00 178.83 177.78 1a49 h LYS 4510N 1.07 0.56 -0.23 1.69 1.57 -1.24 -0.27 116.57 119.71 1a49 h LYS 4510Ca 0.28 -0.55 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1a49 h LYS 4510Cb -0.06 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1a49 h LYS 4510CO -0.05 1.17 0.12 1.98 -0.57 0.00 0.00 179.45 182.09 1a49 h MET 4511N 0.15 0.24 0.05 3.15 4.05 -0.99 0.77 114.93 122.36 1a49 h MET 4511Ca -0.08 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1a49 h MET 4511Cb 1.39 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 1a49 h MET 4511CO 0.14 0.16 -0.02 0.82 0.23 0.00 0.00 176.91 178.24 1a49 h ILE 4512N 0.25 1.05 -0.78 1.77 2.04 -0.96 0.11 117.51 121.00 1a49 h ILE 4512Ca 0.09 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.66 1a49 h ILE 4512Cb 0.02 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1a49 h ILE 4512CO -0.06 0.08 0.49 0.40 0.00 0.00 0.00 178.15 179.07 1a49 h ILE 4513N -0.21 1.09 -0.30 -0.67 2.04 -0.88 -0.88 117.51 117.69 1a49 h ILE 4513Ca -0.01 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.58 1a49 h ILE 4513Cb 0.19 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 1a49 h ILE 4513CO 0.01 0.17 0.03 1.23 0.00 0.00 0.00 178.15 179.60 1a49 h GLY 4514N 0.94 0.32 2.00 5.37 0.00 0.11 -1.06 103.07 110.74 1a49 h GLY 4514Ca 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.60 1a49 h GLY 4514CO -0.13 -0.03 -0.23 3.21 0.00 0.00 0.00 176.54 179.36 1a49 h ARG 4515N 0.13 0.00 -0.16 4.80 3.08 -0.34 -2.15 114.38 119.74 1a49 h ARG 4515Ca 0.14 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.99 1a49 h ARG 4515Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1a49 h ARG 4515CO -0.21 0.23 -0.69 0.00 -1.07 0.00 0.00 179.97 178.23 1a49 h ASN 4517N 0.48 0.79 -0.81 0.00 -0.26 -0.98 0.60 115.58 115.40 1a49 h ASN 4517Ca -0.03 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.55 1a49 h ASN 4517Cb 1.29 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 38.31 1a49 h ASN 4517CO 0.14 0.68 0.34 -0.09 -1.06 0.00 0.00 177.43 177.44 1a49 h ARG 4518N 0.84 1.20 0.10 0.81 2.43 -1.33 -3.07 114.38 115.36 1a49 h ARG 4518Ca 0.21 -0.21 -0.30 0.00 -0.81 0.00 0.00 59.98 58.88 1a49 h ARG 4518Cb 0.09 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1a49 h ARG 4518CO -0.03 0.95 -1.51 0.00 -1.51 0.00 0.00 179.97 177.88 1a49 h ALA 4519N 1.18 0.33 0.00 2.80 0.00 -1.15 -3.45 119.26 118.97 1a49 h ALA 4519Ca 0.27 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1a49 h ALA 4519Cb 0.19 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a49 h ALA 4519CO -0.03 1.19 0.00 0.41 0.00 0.00 0.00 179.25 180.83 1a49 n GLY 4520N 1.63 1.21 3.55 0.00 0.00 0.20 -5.08 105.19 106.71 1a49 n GLY 4520Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1a49 n GLY 4520CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a49 s LYS 4521N -0.17 2.46 0.30 1.61 1.02 -0.75 -4.97 119.74 119.25 1a49 s LYS 4521Ca 0.00 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 54.94 1a49 s LYS 4521Cb 0.00 -2.43 -0.12 0.00 -0.52 0.00 0.00 37.83 34.76 1a49 s LYS 4521CO 0.00 0.60 1.41 -2.30 -0.92 0.00 0.00 175.35 174.13 1a49 n PRO 4522N 1.70 2.26 -4.82 -1.68 -0.02 -1.26 -4.46 135.00 126.73 1a49 n PRO 4522Ca -0.16 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 61.87 1a49 n PRO 4522Cb 0.52 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 1a49 n PRO 4522CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a49 s VAL 4523N -0.54 1.48 -0.08 -1.45 0.11 -1.26 -1.61 120.40 117.05 1a49 s VAL 4523Ca 0.61 -0.87 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 1a49 s VAL 4523Cb -0.57 -1.24 -0.00 0.00 -1.53 0.00 0.00 36.38 33.03 1a49 s VAL 4523CO 0.55 0.36 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.81 1a49 s ILE 4524N -0.52 2.04 -0.18 7.04 1.01 0.28 -1.26 121.20 129.61 1a49 s ILE 4524Ca 0.07 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 1a49 s ILE 4524Cb -0.07 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1a49 s ILE 4524CO -0.00 0.56 0.20 0.00 0.00 0.00 0.00 174.94 175.70 1a49 s ALA 4526N 0.37 0.94 0.00 0.00 0.00 -0.98 -2.11 121.76 119.98 1a49 s ALA 4526Ca 0.12 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1a49 s ALA 4526Cb -0.12 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1a49 s ALA 4526CO 0.01 -0.21 0.00 2.41 0.00 0.00 0.00 175.76 177.97 1a49 n THR 4527N 0.12 -1.68 -1.36 0.00 -1.04 -1.26 -3.32 114.28 105.74 1a49 n THR 4527Ca -0.13 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.77 1a49 n THR 4527Cb 0.60 -1.81 -0.04 0.00 -1.82 0.00 0.00 70.33 67.26 1a49 n THR 4527CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a49 n GLN 4528N 0.48 -0.72 -0.20 -2.82 6.02 -1.26 -4.64 117.38 114.24 1a49 n GLN 4528Ca 0.00 0.83 -0.08 0.00 -0.01 0.00 0.00 57.00 57.74 1a49 n GLN 4528Cb 0.00 -4.78 0.02 0.00 1.02 0.00 0.00 30.24 26.50 1a49 n GLN 4528CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a49 h MET 4529N 0.00 0.88 -0.62 -1.09 2.86 -1.88 -3.11 114.93 111.96 1a49 h MET 4529Ca -0.21 -0.18 -0.45 0.00 -2.06 0.00 0.00 59.70 56.80 1a49 h MET 4529Cb 0.70 -0.13 -0.39 0.00 0.06 0.00 0.00 31.60 31.84 1a49 h MET 4529CO 0.31 0.79 -0.86 1.28 1.06 0.00 0.00 176.91 179.48 1a49 n LEU 4530N -4.44 4.05 -0.25 1.22 4.77 -1.26 -4.65 117.00 116.44 1a49 n LEU 4530Ca 0.03 -4.30 -0.01 0.00 -0.03 0.00 0.00 56.01 51.70 1a49 n LEU 4530Cb 0.20 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1a49 n LEU 4530CO 0.40 1.82 0.68 -0.08 -1.33 0.00 0.00 177.39 178.88 1a49 h GLU 4531N 2.16 -0.05 -0.45 3.23 4.57 -1.95 -1.26 114.58 120.83 1a49 h GLU 4531Ca 0.23 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.55 1a49 h GLU 4531Cb 1.46 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.04 1a49 h GLU 4531CO 0.58 -0.03 0.42 0.66 -1.18 0.00 0.00 179.01 179.46 1a49 h SER 4532N -0.05 0.00 0.00 1.04 4.64 -1.92 -2.26 113.55 115.01 1a49 h SER 4532Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1a49 h SER 4532Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1a49 h SER 4532CO -0.75 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.44 1a49 n MET 4533N -3.93 0.44 0.06 4.77 2.81 -0.48 -1.35 117.12 119.43 1a49 n MET 4533Ca 0.08 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.94 1a49 n MET 4533Cb 0.61 -1.43 0.20 0.00 -0.71 0.00 0.00 33.22 31.89 1a49 n MET 4533CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a49 h ILE 4534N 0.00 1.30 0.00 2.02 2.04 -1.60 -3.23 117.51 118.03 1a49 h ILE 4534Ca 0.00 -1.47 -0.15 0.00 1.00 0.00 0.00 64.86 64.25 1a49 h ILE 4534Cb 0.00 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1a49 h ILE 4534CO 0.00 0.45 -1.56 0.29 0.00 0.00 0.00 178.15 177.33 1a49 n LYS 4535N -4.05 1.64 -4.18 2.37 4.76 -0.69 0.28 118.16 118.29 1a49 n LYS 4535Ca -0.01 0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.20 1a49 n LYS 4535Cb 0.47 -1.20 -0.07 0.00 -1.84 0.00 0.00 35.03 32.39 1a49 n LYS 4535CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a49 s LYS 4536N -2.20 2.57 0.05 1.97 3.01 -0.46 -4.91 119.74 119.77 1a49 s LYS 4536Ca -0.08 -1.09 0.28 0.00 -1.01 0.00 0.00 55.97 54.07 1a49 s LYS 4536Cb 0.03 -2.42 1.07 0.00 -1.01 0.00 0.00 37.83 35.50 1a49 s LYS 4536CO 0.29 0.44 1.85 -0.35 0.51 0.00 0.00 175.35 178.09 1a49 n PRO 4537N -0.40 0.07 -4.35 -1.68 -0.04 -1.26 -4.21 135.00 123.12 1a49 n PRO 4537Ca -0.09 0.05 -0.21 0.00 -0.04 0.00 0.00 63.50 63.22 1a49 n PRO 4537Cb 0.56 -1.57 -0.16 0.00 -0.04 0.00 0.00 33.50 32.29 1a49 n PRO 4537CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a49 s ARG 4538N -3.03 1.01 0.91 0.54 0.52 -1.26 -4.94 118.95 112.70 1a49 s ARG 4538Ca 0.13 -0.26 -0.12 0.00 -0.52 0.00 0.00 55.73 54.96 1a49 s ARG 4538Cb 0.17 -0.93 0.14 0.00 0.52 0.00 0.00 34.95 34.85 1a49 s ARG 4538CO 0.56 0.05 1.12 -1.25 0.02 0.00 0.00 175.30 175.80 1a49 s PRO 4539N 0.45 1.11 0.91 3.54 0.04 -1.26 -4.73 135.00 135.06 1a49 s PRO 4539Ca -0.07 0.39 -0.14 0.00 0.04 0.00 0.00 61.00 61.22 1a49 s PRO 4539Cb -0.11 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.77 1a49 s PRO 4539CO 0.01 -2.24 1.27 0.95 0.04 0.00 0.00 177.00 177.03 1a49 s THR 4540N -3.19 2.01 0.11 1.26 -4.23 -1.26 -4.90 115.64 105.45 1a49 s THR 4540Ca 0.64 -0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 61.04 1a49 s THR 4540Cb -0.16 -2.98 -0.19 0.00 1.34 0.00 0.00 72.50 70.51 1a49 s THR 4540CO 0.54 0.00 1.28 0.03 -0.54 0.00 0.00 174.62 175.93 1a49 h ARG 4541N -1.45 0.55 -0.68 3.99 2.47 -1.99 -2.09 114.38 115.18 1a49 h ARG 4541Ca -0.44 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 57.72 1a49 h ARG 4541Cb 1.26 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 29.70 1a49 h ARG 4541CO 0.45 1.19 0.44 0.00 0.56 0.00 0.00 179.97 182.60 1a49 h ALA 4542N 0.62 1.49 -0.08 0.04 0.00 -1.99 -0.18 119.26 119.16 1a49 h ALA 4542Ca -0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1a49 h ALA 4542Cb 1.58 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1a49 h ALA 4542CO 0.17 0.47 -0.01 0.93 0.00 0.00 0.00 179.25 180.81 1a49 h GLU 4543N 0.93 0.15 -0.72 0.00 5.08 -1.79 0.38 114.58 118.62 1a49 h GLU 4543Ca 0.25 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 1a49 h GLU 4543Cb -0.08 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1a49 h GLU 4543CO -0.05 0.46 0.47 0.78 -1.00 0.00 0.00 179.01 179.67 1a49 h GLY 4544N -0.18 0.93 0.77 -3.84 0.00 -0.65 -1.50 103.07 98.60 1a49 h GLY 4544Ca 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1a49 h GLY 4544CO 0.01 0.20 -0.10 0.23 0.00 0.00 0.00 176.54 176.88 1a49 h SER 4545N 0.71 0.38 -0.02 0.19 0.87 -0.76 -2.87 113.55 112.06 1a49 h SER 4545Ca 0.32 -0.43 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1a49 h SER 4545Cb 0.32 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 1a49 h SER 4545CO -0.11 0.73 -0.44 -0.78 -0.53 0.00 0.00 176.83 175.70 1a49 h ASP 4546N 0.04 -1.35 -0.37 6.23 3.58 0.12 0.50 116.42 125.17 1a49 h ASP 4546Ca 0.04 0.16 0.05 0.00 0.42 0.00 0.00 57.03 57.70 1a49 h ASP 4546Cb 0.59 0.53 -0.05 0.00 1.72 0.00 0.00 39.33 42.12 1a49 h ASP 4546CO 0.03 -0.47 0.08 0.58 -2.88 0.00 0.00 179.24 176.58 1a49 h VAL 4547N -0.58 0.82 -0.04 2.25 2.07 -1.54 -0.08 116.25 119.14 1a49 h VAL 4547Ca 0.05 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1a49 h VAL 4547Cb 0.66 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1a49 h VAL 4547CO -0.34 0.04 -0.05 0.00 0.02 0.00 0.00 177.57 177.24 1a49 h ALA 4548N 1.28 -0.01 0.00 1.67 0.00 -1.15 -1.77 119.26 119.27 1a49 h ALA 4548Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1a49 h ALA 4548Cb 0.20 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1a49 h ALA 4548CO -0.23 -0.53 -0.21 -0.91 0.00 0.00 0.00 179.25 177.37 1a49 h ASN 4549N -0.07 0.00 -0.47 0.00 -0.26 -0.82 0.12 115.58 114.09 1a49 h ASN 4549Ca 0.04 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.72 1a49 h ASN 4549Cb 0.12 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 1a49 h ASN 4549CO -0.08 0.21 0.06 0.00 -1.06 0.00 0.00 177.43 176.56 1a49 h ALA 4550N 1.79 0.62 -0.28 -0.83 0.00 -0.14 0.43 119.26 120.86 1a49 h ALA 4550Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1a49 h ALA 4550Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a49 h ALA 4550CO 0.03 0.36 0.08 0.28 0.00 0.00 0.00 179.25 180.00 1a49 h VAL 4551N 0.65 1.20 -0.76 0.00 2.07 -0.96 -2.03 116.25 116.42 1a49 h VAL 4551Ca 0.14 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1a49 h VAL 4551Cb 0.41 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1a49 h VAL 4551CO 0.01 0.22 0.38 -0.07 0.02 0.00 0.00 177.57 178.13 1a49 h LEU 4552N 0.29 0.98 -1.71 2.57 4.07 -0.59 -1.34 115.31 119.58 1a49 h LEU 4552Ca 0.09 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1a49 h LEU 4552Cb 0.25 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1a49 h LEU 4552CO -0.00 0.81 0.19 0.44 -1.08 0.00 0.00 178.44 178.80 1a49 h ASP 4553N 1.08 0.34 0.00 -0.43 3.32 0.21 -3.47 116.42 117.46 1a49 h ASP 4553Ca 0.27 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1a49 h ASP 4553Cb 0.09 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1a49 h ASP 4553CO -0.04 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.34 1a49 n GLY 4554N -1.49 1.73 3.74 2.75 0.00 -0.50 -4.75 105.19 106.66 1a49 n GLY 4554Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1a49 n GLY 4554CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 4555N -2.00 3.72 0.21 4.61 0.00 -0.89 -4.90 121.76 122.51 1a49 s ALA 4555Ca 0.00 1.40 -0.05 0.00 0.00 0.00 0.00 51.96 53.31 1a49 s ALA 4555Cb 0.00 -3.60 0.18 0.00 0.00 0.00 0.00 23.12 19.70 1a49 s ALA 4555CO 0.00 -0.81 1.64 -0.44 0.00 0.00 0.00 175.76 176.15 1a49 h ASP 4556N 5.69 0.82 -4.21 0.00 5.19 -1.49 -3.45 116.42 118.96 1a49 h ASP 4556Ca -0.45 -0.28 -0.30 0.00 -0.62 0.00 0.00 57.03 55.38 1a49 h ASP 4556Cb 1.21 -0.22 -0.15 0.00 0.18 0.00 0.00 39.33 40.35 1a49 h ASP 4556CO 0.84 0.99 -0.69 0.00 -3.12 0.00 0.00 179.24 177.26 1a49 s ILE 4558N -3.48 1.54 0.14 0.00 -4.36 0.39 -1.17 121.20 114.28 1a49 s ILE 4558Ca 0.19 -1.69 0.06 0.00 -0.26 0.00 0.00 60.65 58.95 1a49 s ILE 4558Cb 0.04 -1.58 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 1a49 s ILE 4558CO 0.01 -0.28 -0.14 -0.32 0.24 0.00 0.00 174.94 174.45 1a49 s MET 4559N -2.42 1.11 -0.12 0.37 1.75 -0.90 -0.77 119.30 118.32 1a49 s MET 4559Ca 0.09 -1.35 0.02 0.00 -1.25 0.00 0.00 55.69 53.20 1a49 s MET 4559Cb -0.07 -0.95 0.01 0.00 2.84 0.00 0.00 34.83 36.67 1a49 s MET 4559CO 0.04 0.17 -0.18 -0.51 -0.65 0.00 0.00 175.02 173.89 1a49 s LEU 4560N -2.74 1.89 0.00 4.11 1.43 0.11 -4.34 118.68 119.15 1a49 s LEU 4560Ca 0.13 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1a49 s LEU 4560Cb -0.03 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.94 1a49 s LEU 4560CO 0.04 0.04 0.00 -1.20 0.23 0.00 0.00 176.35 175.46 1a49 n SER 4561N 4.16 0.00 0.33 2.29 7.64 -1.26 -1.36 113.62 125.42 1a49 n SER 4561Ca -0.19 0.00 0.17 0.00 1.01 0.00 0.00 58.87 59.86 1a49 n SER 4561Cb 0.51 0.00 0.91 0.00 -1.01 0.00 0.00 64.21 64.62 1a49 n SER 4561CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a49 h GLY 4562N 0.00 0.00 1.81 0.23 0.00 -1.97 0.79 103.07 103.93 1a49 h GLY 4562Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1a49 h GLY 4562CO 0.00 0.00 0.08 0.83 0.00 0.00 0.00 176.54 177.45 1a49 h GLU 4563N 0.00 0.03 0.00 4.80 3.07 -1.91 0.85 114.58 121.41 1a49 h GLU 4563Ca 0.01 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1a49 h GLU 4563Cb 0.52 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1a49 h GLU 4563CO -0.00 0.02 -1.35 0.25 -1.40 0.00 0.00 179.01 176.53 1a49 n THR 4564N -4.51 0.35 -0.14 1.13 -2.24 -0.25 -3.35 114.28 105.27 1a49 n THR 4564Ca -0.01 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 1a49 n THR 4564Cb 0.17 -0.84 0.01 0.00 -2.10 0.00 0.00 70.33 67.56 1a49 n THR 4564CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 h ALA 4565N 0.21 0.56 0.00 6.98 0.00 -0.57 -3.18 119.26 123.26 1a49 h ALA 4565Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a49 h ALA 4565Cb 1.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1a49 h ALA 4565CO 0.00 0.02 -0.22 0.36 0.00 0.00 0.00 179.25 179.41 1a49 n LYS 4566N -4.77 3.75 -0.63 0.00 2.85 -0.95 0.98 118.16 119.39 1a49 n LYS 4566Ca 0.01 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.96 1a49 n LYS 4566Cb 0.03 -0.61 0.19 0.00 -0.65 0.00 0.00 35.03 33.99 1a49 n LYS 4566CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a49 n GLY 4567N 0.67 -2.35 0.05 2.58 0.00 0.25 -4.71 105.19 101.67 1a49 n GLY 4567Ca 0.00 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.27 1a49 n GLY 4567CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a49 n ASP 4568N -2.50 0.49 -3.02 1.61 8.00 0.81 -4.38 116.55 117.56 1a49 n ASP 4568Ca 0.02 0.34 -0.18 0.00 0.71 0.00 0.00 54.79 55.68 1a49 n ASP 4568Cb 0.60 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 1a49 n ASP 4568CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a49 n TYR 4569N -1.88 1.06 0.09 1.24 4.01 -1.22 -4.95 117.16 115.51 1a49 n TYR 4569Ca 0.06 -3.60 -0.13 0.00 -0.16 0.00 0.00 57.90 54.06 1a49 n TYR 4569Cb 0.39 -0.41 -0.08 0.00 -0.31 0.00 0.00 39.34 38.94 1a49 n TYR 4569CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a49 h PRO 4570N 2.98 -0.15 -0.29 -0.72 0.13 -1.75 -1.12 132.00 131.08 1a49 h PRO 4570Ca 0.07 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.23 1a49 h PRO 4570Cb 0.95 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1a49 h PRO 4570CO 0.56 -0.04 0.15 -0.07 -0.23 0.00 0.00 178.00 178.37 1a49 h LEU 4571N -0.22 0.22 -0.75 1.56 3.38 -1.93 0.92 115.31 118.51 1a49 h LEU 4571Ca -0.02 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1a49 h LEU 4571Cb 0.17 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 1a49 h LEU 4571CO 0.03 0.17 0.38 -0.33 0.09 0.00 0.00 178.44 178.77 1a49 h GLU 4572N 0.31 0.61 -0.40 1.13 3.07 -1.92 0.66 114.58 118.03 1a49 h GLU 4572Ca 0.12 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1a49 h GLU 4572Cb 0.03 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 1a49 h GLU 4572CO -0.08 0.40 0.20 0.00 -1.40 0.00 0.00 179.01 178.13 1a49 h ALA 4573N 1.45 0.52 -0.31 3.43 0.00 -0.76 0.45 119.26 124.04 1a49 h ALA 4573Ca 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1a49 h ALA 4573Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1a49 h ALA 4573CO -0.28 0.08 0.19 0.28 0.00 0.00 0.00 179.25 179.52 1a49 h VAL 4574N 0.51 1.10 -0.87 0.00 2.07 0.54 -2.33 116.25 117.26 1a49 h VAL 4574Ca 0.14 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1a49 h VAL 4574Cb 0.11 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1a49 h VAL 4574CO -0.02 0.10 0.44 0.03 0.02 0.00 0.00 177.57 178.14 1a49 h ARG 4575N 0.41 1.25 -0.72 1.57 3.08 0.83 -2.44 114.38 118.34 1a49 h ARG 4575Ca 0.11 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1a49 h ARG 4575Cb -0.01 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.77 1a49 h ARG 4575CO -0.02 0.94 0.39 1.98 -1.07 0.00 0.00 179.97 182.18 1a49 h MET 4576N 1.24 1.01 -0.54 0.04 4.05 0.19 -0.87 114.93 120.05 1a49 h MET 4576Ca 0.30 -0.11 -0.12 0.00 -0.28 0.00 0.00 59.70 59.49 1a49 h MET 4576Cb 0.09 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1a49 h MET 4576CO -0.04 0.75 -0.13 1.96 0.23 0.00 0.00 176.91 179.68 1a49 h GLN 4577N 1.01 1.04 -0.76 0.39 4.20 -0.98 -1.24 115.11 118.77 1a49 h GLN 4577Ca 0.26 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.58 1a49 h GLN 4577Cb 0.04 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1a49 h GLN 4577CO -0.04 1.09 0.50 1.25 -0.67 0.00 0.00 178.83 180.96 1a49 h HIS 4578N 0.92 0.95 -0.29 2.96 2.76 -0.96 -0.43 115.15 121.05 1a49 h HIS 4578Ca 0.14 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.19 1a49 h HIS 4578Cb 0.70 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 1a49 h HIS 4578CO 0.05 0.59 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.84 1a49 h LEU 4579N 1.01 0.82 -0.17 0.26 3.38 -0.86 -3.06 115.31 116.69 1a49 h LEU 4579Ca 0.28 -0.49 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1a49 h LEU 4579Cb -0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.43 1a49 h LEU 4579CO -0.07 1.14 -0.31 0.40 0.09 0.00 0.00 178.44 179.69 1a49 h ILE 4580N 0.51 1.35 -0.54 1.22 2.04 -1.02 -3.12 117.51 117.94 1a49 h ILE 4580Ca 0.04 -1.55 0.09 0.00 1.00 0.00 0.00 64.86 64.44 1a49 h ILE 4580Cb 0.94 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.87 1a49 h ILE 4580CO 0.08 0.47 0.13 0.00 0.00 0.00 0.00 178.15 178.84 1a49 h ALA 4581N 0.58 0.63 -0.26 1.87 0.00 -1.11 -2.12 119.26 118.84 1a49 h ALA 4581Ca 0.01 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1a49 h ALA 4581Cb 0.91 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1a49 h ALA 4581CO 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 179.25 179.01 1a49 h ARG 4582N 0.27 0.05 -0.44 0.00 3.08 -1.51 0.22 114.38 116.06 1a49 h ARG 4582Ca 0.27 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.37 1a49 h ARG 4582Cb 0.37 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 1a49 h ARG 4582CO -0.34 0.03 0.18 0.93 -1.07 0.00 0.00 179.97 179.70 1a49 h GLU 4583N 0.05 0.35 -0.44 0.04 4.39 -1.34 -2.18 114.58 115.46 1a49 h GLU 4583Ca 0.13 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 1a49 h GLU 4583Cb 0.18 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1a49 h GLU 4583CO -0.24 0.23 -0.07 0.00 -1.16 0.00 0.00 179.01 177.77 1a49 h ALA 4584N 1.27 0.60 -0.20 3.43 0.00 -1.30 -0.90 119.26 122.15 1a49 h ALA 4584Ca 0.20 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1a49 h ALA 4584Cb 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1a49 h ALA 4584CO -0.18 0.45 -0.11 0.93 0.00 0.00 0.00 179.25 180.34 1a49 h GLU 4585N 0.65 -0.10 -0.05 0.00 5.08 -0.70 0.12 114.58 119.58 1a49 h GLU 4585Ca 0.11 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1a49 h GLU 4585Cb 0.60 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1a49 h GLU 4585CO 0.04 -0.07 0.02 0.00 -1.00 0.00 0.00 179.01 178.00 1a49 h ALA 4586N 1.05 1.94 -0.04 3.43 0.00 -1.25 -0.82 119.26 123.58 1a49 h ALA 4586Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1a49 h ALA 4586Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1a49 h ALA 4586CO -0.26 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.04 1a49 n ALA 4587N -2.53 2.56 -1.83 0.00 0.00 0.37 -4.49 120.51 114.59 1a49 n ALA 4587Ca -0.02 -0.17 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 1a49 n ALA 4587Cb 0.10 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 1a49 n ALA 4587CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a49 s MET 4588N -1.95 3.66 -1.23 0.00 -1.94 -0.32 -4.94 119.30 112.58 1a49 s MET 4588Ca 0.22 0.85 -0.06 0.00 -1.71 0.00 0.00 55.69 54.99 1a49 s MET 4588Cb 0.10 -2.09 0.19 0.00 2.01 0.00 0.00 34.83 35.04 1a49 s MET 4588CO 0.17 -0.51 1.99 0.34 -0.01 0.00 0.00 175.02 177.00 1a49 n PHE 4589N -2.35 2.67 -0.29 -0.03 7.35 -1.26 -4.82 117.46 118.72 1a49 n PHE 4589Ca 0.06 -2.74 0.11 0.00 -0.76 0.00 0.00 57.45 54.13 1a49 n PHE 4589Cb 0.54 -1.71 0.27 0.00 0.35 0.00 0.00 39.48 38.94 1a49 n PHE 4589CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1a49 h HIS 4590N 5.09 0.57 -0.34 -5.13 3.86 -1.92 0.03 115.15 117.31 1a49 h HIS 4590Ca 0.49 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1a49 h HIS 4590Cb 0.47 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1a49 h HIS 4590CO 1.35 -0.05 0.22 -0.09 0.86 0.00 0.00 177.93 180.23 1a49 h ARG 4591N 0.38 0.45 -0.10 2.45 1.12 -1.89 0.57 114.38 117.36 1a49 h ARG 4591Ca 0.52 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 59.32 1a49 h ARG 4591Cb 0.96 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.82 1a49 h ARG 4591CO -0.52 0.32 -0.10 -0.22 -3.11 0.00 0.00 179.97 176.34 1a49 h LYS 4592N 0.45 0.25 -0.22 0.20 1.63 -1.65 -2.62 116.57 114.61 1a49 h LYS 4592Ca 0.12 -0.13 0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1a49 h LYS 4592Cb -0.03 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.53 1a49 h LYS 4592CO -0.03 0.66 -0.38 1.25 -3.45 0.00 0.00 179.45 177.51 1a49 h LEU 4593N -0.16 -1.20 -0.14 5.20 5.85 -0.81 0.18 115.31 124.24 1a49 h LEU 4593Ca 0.02 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1a49 h LEU 4593Cb 0.61 0.51 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1a49 h LEU 4593CO 0.02 -0.38 -0.19 0.15 -0.34 0.00 0.00 178.44 177.70 1a49 h PHE 4594N -0.39 -0.51 -0.71 1.25 3.57 -0.89 0.29 116.94 119.54 1a49 h PHE 4594Ca 0.11 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.74 1a49 h PHE 4594Cb 0.58 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.49 1a49 h PHE 4594CO -0.49 -0.27 0.32 0.93 -2.23 0.00 0.00 178.31 176.57 1a49 h GLU 4595N -0.24 0.52 -0.02 1.11 5.08 -1.06 -1.09 114.58 118.87 1a49 h GLU 4595Ca 0.10 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1a49 h GLU 4595Cb 0.39 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1a49 h GLU 4595CO -0.28 0.34 -0.46 0.93 -1.00 0.00 0.00 179.01 178.55 1a49 h GLU 4596N 0.53 0.05 -0.26 2.33 5.08 0.79 -2.47 114.58 120.62 1a49 h GLU 4596Ca 0.36 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.51 1a49 h GLU 4596Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1a49 h GLU 4596CO -0.31 0.50 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.58 1a49 h LEU 4597N 0.04 0.88 -0.88 1.33 -0.00 0.30 -2.49 115.31 114.50 1a49 h LEU 4597Ca -0.00 -0.48 -0.11 0.00 -0.00 0.00 0.00 57.88 57.29 1a49 h LEU 4597Cb 0.82 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 1a49 h LEU 4597CO 0.06 1.26 -0.41 0.00 -0.00 0.00 0.00 178.44 179.35 1a49 h ALA 4598N 0.76 1.05 0.04 1.53 0.00 -1.06 -1.29 119.26 120.29 1a49 h ALA 4598Ca 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1a49 h ALA 4598Cb 1.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1a49 h ALA 4598CO 0.12 0.60 -0.02 -0.09 0.00 0.00 0.00 179.25 179.86 1a49 h ARG 4599N 0.26 -0.05 -0.13 0.00 2.43 -1.37 -0.08 114.38 115.44 1a49 h ARG 4599Ca 0.02 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1a49 h ARG 4599Cb 0.83 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1a49 h ARG 4599CO 0.07 0.07 -0.22 0.66 -1.51 0.00 0.00 179.97 179.04 1a49 h SER 4600N -0.16 0.21 0.66 -3.80 4.64 -1.21 -1.88 113.55 112.00 1a49 h SER 4600Ca -0.01 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1a49 h SER 4600Cb 0.14 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1a49 h SER 4600CO 0.01 0.44 -0.22 -0.24 -0.87 0.00 0.00 176.83 175.96 1a49 n SER 4601N -4.20 0.31 -0.33 4.97 2.88 -0.51 -4.55 113.62 112.20 1a49 n SER 4601Ca -0.01 -0.04 0.27 0.00 -1.33 0.00 0.00 58.87 57.76 1a49 n SER 4601Cb 0.33 -0.11 0.50 0.00 -0.75 0.00 0.00 64.21 64.18 1a49 n SER 4601CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1a49 h SER 4602N 0.14 0.11 -0.00 -3.46 4.64 -0.14 0.14 113.55 114.98 1a49 h SER 4602Ca 0.00 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1a49 h SER 4602Cb 0.47 0.32 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1a49 h SER 4602CO 0.00 -0.40 0.00 0.45 -0.87 0.00 0.00 176.83 176.01 1a49 h HIS 4603N 0.02 0.00 -2.94 4.77 3.86 -1.80 -3.43 115.15 115.62 1a49 h HIS 4603Ca 0.78 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 59.36 1a49 h HIS 4603Cb 1.94 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 30.35 1a49 h HIS 4603CO -0.15 0.00 -0.26 0.45 0.86 0.00 0.00 177.93 178.83 1a49 s SER 4604N -5.90 6.71 -0.03 2.45 0.15 0.49 -4.96 113.70 112.60 1a49 s SER 4604Ca -0.05 0.85 0.08 0.00 0.70 0.00 0.00 55.95 57.52 1a49 s SER 4604Cb 0.15 -2.21 0.20 0.00 -1.71 0.00 0.00 66.02 62.45 1a49 s SER 4604CO 0.51 0.33 1.15 0.35 1.20 0.00 0.00 173.24 176.79 1a49 n THR 4605N 1.77 1.23 -1.56 6.45 -2.24 -1.26 -5.02 114.28 113.65 1a49 n THR 4605Ca -0.15 -1.23 -0.46 0.00 -2.27 0.00 0.00 64.05 59.94 1a49 n THR 4605Cb 0.53 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 1a49 n THR 4605CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a49 n ASP 4606N -0.23 0.91 0.07 3.42 -0.08 -1.26 -4.83 116.55 114.55 1a49 n ASP 4606Ca 0.08 1.16 -0.10 0.00 -1.51 0.00 0.00 54.79 54.42 1a49 n ASP 4606Cb 0.42 -1.22 0.00 0.00 2.34 0.00 0.00 41.12 42.67 1a49 n ASP 4606CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1a49 h LEU 4607N 2.17 0.41 -0.73 -2.67 3.38 -1.99 -1.91 115.31 113.96 1a49 h LEU 4607Ca -0.39 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.16 1a49 h LEU 4607Cb 1.36 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1a49 h LEU 4607CO 0.62 1.07 -0.57 -0.03 0.09 0.00 0.00 178.44 179.63 1a49 h MET 4608N 0.20 0.00 0.27 1.13 4.05 -1.94 -2.01 114.93 116.63 1a49 h MET 4608Ca -0.05 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1a49 h MET 4608Cb 1.44 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.24 1a49 h MET 4608CO 0.14 0.57 -0.13 0.93 0.23 0.00 0.00 176.91 178.65 1a49 h GLU 4609N 0.00 -0.35 -0.64 0.39 5.08 -1.90 0.14 114.58 117.29 1a49 h GLU 4609Ca -0.01 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1a49 h GLU 4609Cb 1.10 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 1a49 h GLU 4609CO 0.07 -0.17 0.29 0.00 -1.00 0.00 0.00 179.01 178.20 1a49 h ALA 4610N 0.26 0.86 -0.41 3.43 0.00 -1.26 -0.52 119.26 121.62 1a49 h ALA 4610Ca -0.04 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1a49 h ALA 4610Cb 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1a49 h ALA 4610CO 0.06 -0.11 -0.01 0.52 0.00 0.00 0.00 179.25 179.71 1a49 h MET 4611N 0.51 0.67 0.14 0.00 2.86 -1.17 -2.18 114.93 115.76 1a49 h MET 4611Ca 0.32 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1a49 h MET 4611Cb 0.34 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1a49 h MET 4611CO -0.27 0.69 -0.07 0.00 1.06 0.00 0.00 176.91 178.33 1a49 h ALA 4612N 1.36 -0.19 -0.93 6.32 0.00 0.17 -1.72 119.26 124.26 1a49 h ALA 4612Ca 0.13 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.95 1a49 h ALA 4612Cb 0.41 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1a49 h ALA 4612CO 0.02 -0.32 0.54 0.52 0.00 0.00 0.00 179.25 180.01 1a49 h MET 4613N -0.77 0.74 -0.85 0.00 2.86 -1.20 0.24 114.93 115.95 1a49 h MET 4613Ca -0.02 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1a49 h MET 4613Cb 0.53 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1a49 h MET 4613CO 0.03 0.49 0.42 0.78 1.06 0.00 0.00 176.91 179.69 1a49 h GLY 4614N 0.76 1.30 0.62 8.32 0.00 -1.38 -0.64 103.07 112.06 1a49 h GLY 4614Ca 0.50 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1a49 h GLY 4614CO -0.34 0.60 -0.20 1.76 0.00 0.00 0.00 176.54 178.37 1a49 h SER 4615N 1.20 0.29 0.32 0.19 0.02 0.20 -0.64 113.55 115.13 1a49 h SER 4615Ca 0.29 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1a49 h SER 4615Cb 0.10 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1a49 h SER 4615CO -0.04 0.85 -0.37 0.58 -1.14 0.00 0.00 176.83 176.71 1a49 h VAL 4616N -0.25 0.25 -0.62 2.27 2.07 -0.67 0.78 116.25 120.09 1a49 h VAL 4616Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1a49 h VAL 4616Cb 0.82 0.25 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 1a49 h VAL 4616CO 0.04 0.00 -0.10 -0.08 0.02 0.00 0.00 177.57 177.46 1a49 h GLU 4617N -0.73 0.04 -0.89 1.57 4.57 -1.13 0.43 114.58 118.44 1a49 h GLU 4617Ca -0.02 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1a49 h GLU 4617Cb 0.67 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1a49 h GLU 4617CO -0.09 0.03 0.59 0.00 -1.18 0.00 0.00 179.01 178.35 1a49 h ALA 4618N 1.60 1.36 -0.62 2.92 0.00 -0.95 -1.20 119.26 122.37 1a49 h ALA 4618Ca 0.31 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1a49 h ALA 4618Cb 0.49 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1a49 h ALA 4618CO -0.60 0.59 0.41 0.66 0.00 0.00 0.00 179.25 180.31 1a49 h SER 4619N 1.20 0.70 -0.05 0.00 4.64 0.23 -1.76 113.55 118.52 1a49 h SER 4619Ca 0.32 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1a49 h SER 4619Cb -0.14 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.78 1a49 h SER 4619CO -0.07 0.51 0.03 1.88 -0.87 0.00 0.00 176.83 178.30 1a49 h TYR 4620N 0.83 0.07 -0.67 4.77 0.05 -0.90 0.81 116.97 121.93 1a49 h TYR 4620Ca 0.23 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.10 1a49 h TYR 4620Cb -0.08 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 37.56 1a49 h TYR 4620CO -0.03 0.16 0.31 -0.22 -1.05 0.00 0.00 178.16 177.33 1a49 h LYS 4621N -0.03 0.52 -0.37 4.88 1.63 -0.49 -2.68 116.57 120.02 1a49 h LYS 4621Ca 0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1a49 h LYS 4621Cb 0.11 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1a49 h LYS 4621CO -0.00 0.35 0.00 0.00 -3.45 0.00 0.00 179.45 176.34 1a49 n LEU 4623N 0.26 -1.69 -4.75 0.00 4.77 0.15 -4.88 117.00 110.87 1a49 n LEU 4623Ca 0.18 -1.13 -0.38 0.00 -0.03 0.00 0.00 56.01 54.65 1a49 n LEU 4623Cb 0.68 -2.02 0.04 0.00 -2.33 0.00 0.00 43.42 39.79 1a49 n LEU 4623CO 0.13 0.55 0.97 0.00 -1.33 0.00 0.00 177.39 177.71 1a49 s ALA 4624N -3.78 2.78 0.27 -1.18 0.00 -0.46 -4.86 121.76 114.52 1a49 s ALA 4624Ca 0.26 1.29 0.15 0.00 0.00 0.00 0.00 51.96 53.67 1a49 s ALA 4624Cb -0.12 -3.55 0.65 0.00 0.00 0.00 0.00 23.12 20.10 1a49 s ALA 4624CO 0.92 -1.35 1.75 0.00 0.00 0.00 0.00 175.76 177.07 1a49 h ALA 4625N 1.39 1.11 -2.03 0.00 0.00 0.43 -3.43 119.26 116.72 1a49 h ALA 4625Ca -0.51 -0.39 0.21 0.00 0.00 0.00 0.00 54.91 54.22 1a49 h ALA 4625Cb 1.30 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 1a49 h ALA 4625CO 0.57 0.54 0.60 0.00 0.00 0.00 0.00 179.25 180.96 1a49 s ALA 4626N -3.80 -1.87 -0.24 0.00 0.00 -1.26 -4.13 121.76 110.46 1a49 s ALA 4626Ca -0.01 0.57 -0.04 0.00 0.00 0.00 0.00 51.96 52.47 1a49 s ALA 4626Cb 0.13 0.46 -0.00 0.00 0.00 0.00 0.00 23.12 23.71 1a49 s ALA 4626CO 0.71 -0.94 -0.02 -0.51 0.00 0.00 0.00 175.76 175.01 1a49 s LEU 4627N -2.79 3.13 -0.22 0.00 1.02 -0.56 -0.62 118.68 118.64 1a49 s LEU 4627Ca 0.11 -0.51 -0.13 0.00 0.02 0.00 0.00 54.13 53.62 1a49 s LEU 4627Cb 0.00 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 1a49 s LEU 4627CO -0.02 -0.07 0.28 -0.63 0.02 0.00 0.00 176.35 175.94 1a49 s ILE 4628N 1.47 5.28 -0.11 -0.59 1.01 0.66 -0.25 121.20 128.67 1a49 s ILE 4628Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1a49 s ILE 4628Cb -0.15 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.72 1a49 s ILE 4628CO -0.02 0.30 -0.10 -0.69 0.00 0.00 0.00 174.94 174.43 1a49 s VAL 4629N 1.16 1.16 -0.24 2.92 1.01 -0.48 0.12 120.40 126.04 1a49 s VAL 4629Ca 0.14 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 1a49 s VAL 4629Cb -0.14 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1a49 s VAL 4629CO 0.06 0.38 0.75 -0.76 0.00 0.00 0.00 175.10 175.54 1a49 s LEU 4630N 1.40 4.08 0.04 3.92 1.43 -0.74 -2.18 118.68 126.63 1a49 s LEU 4630Ca -0.00 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 53.90 1a49 s LEU 4630Cb -0.13 -3.06 0.01 0.00 0.03 0.00 0.00 46.19 43.04 1a49 s LEU 4630CO -0.06 -0.45 0.26 0.28 0.23 0.00 0.00 176.35 176.61 1a49 s THR 4631N 2.67 0.09 -0.02 5.49 -1.32 -0.94 -4.81 115.64 116.79 1a49 s THR 4631Ca 0.32 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 1a49 s THR 4631Cb -0.15 -0.90 -0.01 0.00 -1.51 0.00 0.00 72.50 69.92 1a49 s THR 4631CO 0.08 -0.41 -0.02 -0.62 -2.21 0.00 0.00 174.62 171.43 1a49 n GLU 4632N 0.67 0.06 0.05 7.08 -0.58 -1.26 -4.24 120.64 122.41 1a49 n GLU 4632Ca -0.19 0.01 0.12 0.00 -0.42 0.00 0.00 57.16 56.69 1a49 n GLU 4632Cb 0.59 -1.01 0.30 0.00 -0.57 0.00 0.00 31.44 30.75 1a49 n GLU 4632CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1a49 n SER 4633N -2.61 0.59 0.00 1.62 3.41 -1.26 -4.64 113.62 110.73 1a49 n SER 4633Ca -0.04 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1a49 n SER 4633Cb 0.54 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1a49 n SER 4633CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a49 n GLY 4634N 1.39 1.54 0.28 5.00 0.00 -1.26 -4.94 105.19 107.19 1a49 n GLY 4634Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1a49 n GLY 4634CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a49 h ARG 4635N 3.00 -0.31 -0.74 1.61 3.08 -1.96 -1.26 114.38 117.80 1a49 h ARG 4635Ca 0.00 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.24 1a49 h ARG 4635Cb 0.00 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 30.00 1a49 h ARG 4635CO 0.00 -0.21 0.13 0.77 -1.07 0.00 0.00 179.97 179.59 1a49 h SER 4636N -0.32 -0.09 -0.21 7.04 0.02 -1.93 -1.12 113.55 116.94 1a49 h SER 4636Ca 0.09 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1a49 h SER 4636Cb 0.46 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1a49 h SER 4636CO -0.29 -0.08 -0.01 0.00 -1.14 0.00 0.00 176.83 175.31 1a49 h ALA 4637N 1.64 0.29 -0.67 3.77 0.00 -1.81 -2.08 119.26 120.41 1a49 h ALA 4637Ca 0.42 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.26 1a49 h ALA 4637Cb 0.73 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1a49 h ALA 4637CO -0.55 0.02 0.46 0.45 0.00 0.00 0.00 179.25 179.63 1a49 h HIS 4638N 0.14 0.28 -0.11 0.00 -0.00 -0.18 0.46 115.15 115.74 1a49 h HIS 4638Ca 0.06 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1a49 h HIS 4638Cb 0.42 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1a49 h HIS 4638CO 0.04 0.11 -0.02 1.96 -0.00 0.00 0.00 177.93 180.01 1a49 h GLN 4639N 0.24 0.21 -0.24 2.45 1.08 -0.81 -1.76 115.11 116.29 1a49 h GLN 4639Ca 0.32 -0.08 0.04 0.00 -1.45 0.00 0.00 58.65 57.48 1a49 h GLN 4639Cb 0.93 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.31 1a49 h GLN 4639CO -0.07 0.51 0.00 0.28 -0.95 0.00 0.00 178.83 178.60 1a49 h VAL 4640N -0.11 0.84 -0.60 -0.54 2.07 -0.46 -2.59 116.25 114.86 1a49 h VAL 4640Ca 0.03 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1a49 h VAL 4640Cb 0.43 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1a49 h VAL 4640CO 0.01 0.01 0.40 0.00 0.02 0.00 0.00 177.57 178.01 1a49 h ALA 4641N 1.20 1.62 0.00 1.67 0.00 -0.83 -1.14 119.26 121.78 1a49 h ALA 4641Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1a49 h ALA 4641Cb 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1a49 h ALA 4641CO -0.18 0.33 -0.04 0.07 0.00 0.00 0.00 179.25 179.43 1a49 h ARG 4642N 0.77 0.00 -0.37 0.00 0.11 -0.90 -1.96 114.38 112.03 1a49 h ARG 4642Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1a49 h ARG 4642Cb -0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1a49 h ARG 4642CO -0.06 0.04 0.00 0.66 0.10 0.00 0.00 179.97 180.72 1a49 n TYR 4643N -3.29 0.48 -3.39 4.08 4.01 -0.43 -4.99 117.16 113.62 1a49 n TYR 4643Ca -0.02 -0.24 -0.18 0.00 -0.16 0.00 0.00 57.90 57.31 1a49 n TYR 4643Cb 0.20 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.27 1a49 n TYR 4643CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a49 n ARG 4644N 0.97 -1.61 -0.97 -0.72 5.12 -0.74 -4.73 116.66 113.99 1a49 n ARG 4644Ca 0.18 0.88 -0.29 0.00 -1.93 0.00 0.00 57.85 56.68 1a49 n ARG 4644Cb 0.46 -4.95 0.18 0.00 -1.16 0.00 0.00 32.46 27.00 1a49 n ARG 4644CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a49 s PRO 4645N -4.62 0.39 -0.09 5.56 0.04 -1.26 -4.94 135.00 130.07 1a49 s PRO 4645Ca 0.31 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.01 1a49 s PRO 4645Cb -0.08 -1.71 -0.28 0.00 0.04 0.00 0.00 34.50 32.47 1a49 s PRO 4645CO 0.80 -2.83 0.60 -0.09 0.04 0.00 0.00 177.00 175.51 1a49 h ARG 4646N -1.98 0.27 -7.21 4.56 2.43 -1.94 -3.46 114.38 107.05 1a49 h ARG 4646Ca -0.54 -0.47 -0.50 0.00 -0.81 0.00 0.00 59.98 57.67 1a49 h ARG 4646Cb 1.31 0.17 0.08 0.00 -0.42 0.00 0.00 29.97 31.12 1a49 h ARG 4646CO 0.53 1.22 0.37 0.00 -1.51 0.00 0.00 179.97 180.59 1a49 s ALA 4647N -2.49 2.62 0.31 2.80 0.00 -1.26 -5.01 121.76 118.72 1a49 s ALA 4647Ca -0.19 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 1a49 s ALA 4647Cb 0.04 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 1a49 s ALA 4647CO 0.78 -1.06 1.27 -1.25 0.00 0.00 0.00 175.76 175.51 1a49 s PRO 4648N -4.20 4.41 -0.46 0.00 0.04 -1.26 -4.77 135.00 128.76 1a49 s PRO 4648Ca 0.64 2.13 -0.16 0.00 0.04 0.00 0.00 61.00 63.65 1a49 s PRO 4648Cb -0.17 -3.11 0.07 0.00 0.04 0.00 0.00 34.50 31.32 1a49 s PRO 4648CO 0.41 -0.13 0.39 0.42 0.04 0.00 0.00 177.00 178.13 1a49 s ILE 4649N -0.99 5.23 -0.55 0.56 1.01 0.07 -1.49 121.20 125.04 1a49 s ILE 4649Ca 0.49 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.93 1a49 s ILE 4649Cb -0.38 -4.10 0.05 0.00 0.01 0.00 0.00 42.46 38.04 1a49 s ILE 4649CO 0.49 -0.55 0.83 -0.63 0.00 0.00 0.00 174.94 175.08 1a49 s ILE 4650N 1.68 4.56 -0.45 2.92 1.01 0.65 0.55 121.20 132.12 1a49 s ILE 4650Ca 0.05 -0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.45 1a49 s ILE 4650Cb -0.23 -4.47 0.04 0.00 0.01 0.00 0.00 42.46 37.81 1a49 s ILE 4650CO 0.07 -1.04 0.45 0.00 0.00 0.00 0.00 174.94 174.42 1a49 s ALA 4651N 3.47 3.47 -0.11 9.38 0.00 -0.64 -1.38 121.76 135.94 1a49 s ALA 4651Ca 0.24 -1.78 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 1a49 s ALA 4651Cb -0.15 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1a49 s ALA 4651CO 0.16 -1.70 0.57 0.08 0.00 0.00 0.00 175.76 174.86 1a49 s VAL 4652N 2.03 5.12 0.09 0.00 1.01 -0.93 0.14 120.40 127.86 1a49 s VAL 4652Ca 0.09 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 63.11 1a49 s VAL 4652Cb -0.20 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1a49 s VAL 4652CO 0.11 0.27 0.27 0.28 0.00 0.00 0.00 175.10 176.03 1a49 s THR 4653N 0.85 0.11 -1.23 3.92 -1.32 0.11 -2.22 115.64 115.87 1a49 s THR 4653Ca 0.30 -0.92 0.18 0.00 -1.21 0.00 0.00 61.69 60.04 1a49 s THR 4653Cb -0.16 -1.21 -0.11 0.00 -1.51 0.00 0.00 72.50 69.51 1a49 s THR 4653CO 0.13 -0.51 0.84 0.54 -2.21 0.00 0.00 174.62 173.41 1a49 n ARG 4654N 0.02 1.36 -3.27 7.08 1.74 -1.26 0.82 116.66 123.14 1a49 n ARG 4654Ca -0.16 -0.41 -0.43 0.00 -0.77 0.00 0.00 57.85 56.08 1a49 n ARG 4654Cb 0.62 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.64 1a49 n ARG 4654CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a49 s ASN 4655N -2.40 6.22 0.16 0.55 3.84 -1.26 -4.89 114.94 117.16 1a49 s ASN 4655Ca 0.11 -0.59 -0.15 0.00 0.21 0.00 0.00 52.86 52.43 1a49 s ASN 4655Cb 0.14 -2.25 0.04 0.00 -0.55 0.00 0.00 41.25 38.63 1a49 s ASN 4655CO 0.60 -0.62 1.82 0.45 -2.79 0.00 0.00 177.10 176.56 1a49 h HIS 4656N 8.76 0.56 -0.95 0.43 3.86 -1.95 -2.46 115.15 123.40 1a49 h HIS 4656Ca -0.26 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.00 1a49 h HIS 4656Cb 1.11 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 29.33 1a49 h HIS 4656CO 0.65 0.35 0.62 0.37 0.86 0.00 0.00 177.93 180.77 1a49 h GLN 4657N 0.61 1.15 -0.14 2.45 4.15 -1.98 -0.94 115.11 120.41 1a49 h GLN 4657Ca 0.17 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.55 1a49 h GLN 4657Cb -0.06 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.34 1a49 h GLN 4657CO -0.04 0.76 -0.07 1.15 -1.93 0.00 0.00 178.83 178.70 1a49 h THR 4658N 1.18 0.77 -0.19 2.39 2.02 -1.75 0.25 112.91 117.58 1a49 h THR 4658Ca 0.39 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.62 1a49 h THR 4658Cb 0.03 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.16 1a49 h THR 4658CO -0.13 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.57 1a49 h ALA 4659N 1.06 -0.08 0.04 6.16 0.00 -1.07 0.21 119.26 125.58 1a49 h ALA 4659Ca 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1a49 h ALA 4659Cb 0.18 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1a49 h ALA 4659CO -0.18 -0.62 -0.02 0.00 0.00 0.00 0.00 179.25 178.43 1a49 h ARG 4660N -0.21 -0.05 0.00 0.00 3.08 -0.85 -2.80 114.38 113.56 1a49 h ARG 4660Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1a49 h ARG 4660Cb 0.39 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1a49 h ARG 4660CO -0.31 0.06 -0.02 1.96 -1.07 0.00 0.00 179.97 180.59 1a49 h GLN 4661N -0.15 0.00 0.00 0.04 4.20 0.23 -2.75 115.11 116.69 1a49 h GLN 4661Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1a49 h GLN 4661Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1a49 h GLN 4661CO 0.01 0.02 -0.10 0.00 -0.67 0.00 0.00 178.83 178.09 1a49 h ALA 4662N 1.98 1.53 0.00 3.87 0.00 -0.32 -2.58 119.26 123.74 1a49 h ALA 4662Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a49 h ALA 4662Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a49 h ALA 4662CO 0.00 0.13 0.00 0.45 0.00 0.00 0.00 179.25 179.83 1a49 h HIS 4663N 0.00 0.00 0.00 0.00 3.86 -1.60 -0.69 115.15 116.72 1a49 h HIS 4663Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1a49 h HIS 4663Cb 0.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1a49 h HIS 4663CO 0.00 0.00 -0.30 -0.07 0.86 0.00 0.00 177.93 178.42 1a49 h LEU 4664N 0.00 0.00 -9.26 2.43 4.07 -1.69 -3.41 115.31 107.46 1a49 h LEU 4664Ca 0.00 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.36 1a49 h LEU 4664Cb 0.06 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 41.69 1a49 h LEU 4664CO 0.00 0.30 -0.38 -0.31 -1.08 0.00 0.00 178.44 176.96 1a49 s TYR 4665N -4.28 3.42 0.19 1.13 1.51 -0.27 -4.58 117.35 114.47 1a49 s TYR 4665Ca -0.03 0.48 -0.33 0.00 -1.01 0.00 0.00 57.07 56.18 1a49 s TYR 4665Cb 0.14 -2.29 -0.15 0.00 -0.11 0.00 0.00 41.96 39.55 1a49 s TYR 4665CO 0.70 0.22 1.30 -2.13 -1.11 0.00 0.00 175.55 174.53 1a49 n ARG 4666N 3.70 1.55 -0.78 -0.62 3.00 -1.26 -1.99 116.66 120.26 1a49 n ARG 4666Ca -0.13 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.27 1a49 n ARG 4666Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 32.46 30.83 1a49 n ARG 4666CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a49 n GLY 4667N 2.24 0.66 3.67 5.14 0.00 -0.18 -4.74 105.19 111.98 1a49 n GLY 4667Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1a49 n GLY 4667CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 4668N -2.82 4.95 -0.46 -0.61 1.01 -0.84 -0.75 121.20 121.67 1a49 s ILE 4668Ca 0.00 1.45 0.02 0.00 0.00 0.00 0.00 60.65 62.11 1a49 s ILE 4668Cb 0.00 -4.05 0.12 0.00 0.01 0.00 0.00 42.46 38.54 1a49 s ILE 4668CO 0.00 0.09 0.21 0.12 0.00 0.00 0.00 174.94 175.36 1a49 s PHE 4669N 1.89 3.47 0.29 3.97 2.19 0.19 -4.61 117.98 125.37 1a49 s PHE 4669Ca 0.35 -2.94 -0.29 0.00 0.33 0.00 0.00 56.93 54.37 1a49 s PHE 4669Cb -0.16 -2.98 -0.10 0.00 -1.31 0.00 0.00 43.02 38.47 1a49 s PHE 4669CO 0.12 -0.86 1.34 -1.25 1.83 0.00 0.00 175.22 176.41 1a49 s PRO 4670N 0.34 4.34 -0.11 10.12 0.04 -1.26 -1.63 135.00 146.84 1a49 s PRO 4670Ca 0.14 2.22 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 1a49 s PRO 4670Cb -0.22 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.25 1a49 s PRO 4670CO -0.04 -0.26 -0.05 0.08 0.04 0.00 0.00 177.00 176.77 1a49 s VAL 4671N -0.65 0.83 -0.16 -0.36 1.01 0.37 -4.63 120.40 116.82 1a49 s VAL 4671Ca 0.53 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 62.07 1a49 s VAL 4671Cb -0.40 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1a49 s VAL 4671CO 0.48 0.31 0.75 -0.69 0.00 0.00 0.00 175.10 175.95 1a49 s VAL 4672N 1.78 4.95 -0.33 2.92 1.01 -1.26 0.05 120.40 129.52 1a49 s VAL 4672Ca 0.05 1.48 -0.13 0.00 0.00 0.00 0.00 61.98 63.37 1a49 s VAL 4672Cb -0.13 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1a49 s VAL 4672CO -0.07 0.09 0.26 0.00 0.00 0.00 0.00 175.10 175.38 1a49 n LYS 4674N 5.16 0.55 -1.60 0.00 5.02 -1.26 -4.47 118.16 121.57 1a49 n LYS 4674Ca -0.12 -0.44 -0.33 0.00 -2.02 0.00 0.00 58.31 55.40 1a49 n LYS 4674Cb 0.50 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.08 1a49 n LYS 4674CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a49 s ASP 4675N -2.75 4.80 0.42 4.39 1.11 -1.26 -5.03 116.67 118.35 1a49 s ASP 4675Ca 0.14 2.04 -0.01 0.00 0.18 0.00 0.00 52.55 54.90 1a49 s ASP 4675Cb 0.17 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.59 1a49 s ASP 4675CO 0.71 -1.84 0.66 -2.16 1.18 0.00 0.00 175.17 173.72 1a49 s PRO 4676N -4.19 3.34 -0.04 8.23 0.04 -1.26 -5.01 135.00 136.11 1a49 s PRO 4676Ca 0.67 -0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.19 1a49 s PRO 4676Cb -0.22 -2.54 -0.06 0.00 0.04 0.00 0.00 34.50 31.73 1a49 s PRO 4676CO 0.45 -0.11 1.71 0.08 0.04 0.00 0.00 177.00 179.16 1a49 s VAL 4677N -2.53 3.49 0.46 -0.36 1.01 -1.26 -4.98 120.40 116.22 1a49 s VAL 4677Ca 0.45 0.59 -0.24 0.00 0.00 0.00 0.00 61.98 62.77 1a49 s VAL 4677Cb -0.10 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1a49 s VAL 4677CO 0.39 -0.05 1.32 -1.10 0.00 0.00 0.00 175.10 175.65 1a49 s GLN 4678N 4.12 3.66 0.04 2.72 -1.52 -1.26 -4.89 119.66 122.53 1a49 s GLN 4678Ca 0.76 2.16 0.21 0.00 -1.95 0.00 0.00 55.36 56.53 1a49 s GLN 4678Cb -0.35 -2.54 0.87 0.00 -0.22 0.00 0.00 33.01 30.76 1a49 s GLN 4678CO 0.32 -0.75 1.66 -0.85 -0.25 0.00 0.00 175.29 175.42 1a49 n GLU 4679N -0.34 0.04 -3.96 2.91 0.28 -1.26 -4.35 120.64 113.95 1a49 n GLU 4679Ca 0.06 0.18 -0.34 0.00 -0.16 0.00 0.00 57.16 56.90 1a49 n GLU 4679Cb 0.44 -1.56 -0.14 0.00 1.43 0.00 0.00 31.44 31.62 1a49 n GLU 4679CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a49 s ALA 4680N -3.04 2.70 0.21 -1.84 0.00 -1.26 -5.00 121.76 113.53 1a49 s ALA 4680Ca 0.09 -1.52 -0.21 0.00 0.00 0.00 0.00 51.96 50.32 1a49 s ALA 4680Cb 0.13 -1.71 0.16 0.00 0.00 0.00 0.00 23.12 21.69 1a49 s ALA 4680CO 0.38 -0.90 1.56 2.35 0.00 0.00 0.00 175.76 179.15 1a49 h TRP 4681N 7.99 -1.20 -0.16 0.00 -0.00 -1.99 0.52 115.95 121.12 1a49 h TRP 4681Ca -0.30 0.10 0.05 0.00 -0.00 0.00 0.00 58.89 58.74 1a49 h TRP 4681Cb 1.10 0.65 -0.07 0.00 -0.00 0.00 0.00 29.16 30.84 1a49 h TRP 4681CO 0.58 -0.40 -0.34 0.00 -0.00 0.00 0.00 178.44 178.29 1a49 h ALA 4682N 1.10 -0.39 -0.61 2.65 0.00 -1.94 0.33 119.26 120.40 1a49 h ALA 4682Ca 0.28 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.32 1a49 h ALA 4682Cb 0.56 0.65 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1a49 h ALA 4682CO -0.90 -0.81 0.18 0.93 0.00 0.00 0.00 179.25 178.66 1a49 h GLU 4683N -0.40 0.33 -0.29 0.00 5.08 -0.86 0.57 114.58 119.01 1a49 h GLU 4683Ca 0.10 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1a49 h GLU 4683Cb 0.56 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1a49 h GLU 4683CO -0.38 0.22 0.01 0.22 -1.00 0.00 0.00 179.01 178.08 1a49 h ASP 4684N 0.34 -0.09 0.41 1.42 3.58 0.18 -1.13 116.42 121.13 1a49 h ASP 4684Ca 0.31 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.81 1a49 h ASP 4684Cb 0.43 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1a49 h ASP 4684CO -0.35 -0.01 -0.19 0.58 -2.88 0.00 0.00 179.24 176.38 1a49 h VAL 4685N 0.10 0.55 -0.09 2.25 2.07 0.11 -1.95 116.25 119.29 1a49 h VAL 4685Ca 0.14 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1a49 h VAL 4685Cb 0.17 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1a49 h VAL 4685CO -0.22 0.08 0.11 0.44 0.02 0.00 0.00 177.57 178.00 1a49 h ASP 4686N -0.82 0.00 0.23 0.57 3.32 0.15 0.65 116.42 120.52 1a49 h ASP 4686Ca -0.06 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.69 1a49 h ASP 4686Cb 0.54 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.12 1a49 h ASP 4686CO 0.09 0.00 -1.29 0.25 -1.72 0.00 0.00 179.24 176.57 1a49 h LEU 4687N 0.00 0.80 -0.12 1.55 5.85 -1.08 0.16 115.31 122.47 1a49 h LEU 4687Ca 0.04 -0.77 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 1a49 h LEU 4687Cb 0.27 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1a49 h LEU 4687CO -0.00 1.58 0.01 0.03 -0.34 0.00 0.00 178.44 179.73 1a49 h ARG 4688N 0.22 0.21 -0.60 1.25 3.08 -0.32 -1.15 114.38 117.07 1a49 h ARG 4688Ca -0.19 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 59.88 1a49 h ARG 4688Cb 1.97 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.93 1a49 h ARG 4688CO 0.24 0.42 0.25 0.28 -1.07 0.00 0.00 179.97 180.10 1a49 h VAL 4689N -0.04 0.83 0.00 2.04 2.07 0.28 0.19 116.25 121.62 1a49 h VAL 4689Ca 0.04 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1a49 h VAL 4689Cb 0.32 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1a49 h VAL 4689CO 0.00 0.08 -0.03 -1.13 0.02 0.00 0.00 177.57 176.52 1a49 h ASN 4690N 0.46 0.00 -0.15 0.57 -1.24 -0.43 -0.86 115.58 113.94 1a49 h ASN 4690Ca 0.29 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.26 1a49 h ASN 4690Cb 0.31 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1a49 h ASN 4690CO -0.26 0.03 -0.06 0.25 -1.29 0.00 0.00 177.43 176.10 1a49 h LEU 4691N 0.00 0.31 -1.34 0.34 5.85 0.66 -2.09 115.31 119.04 1a49 h LEU 4691Ca -0.00 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1a49 h LEU 4691Cb 0.19 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1a49 h LEU 4691CO 0.00 0.64 0.35 0.00 -0.34 0.00 0.00 178.44 179.09 1a49 h ALA 4692N 0.68 1.50 0.28 1.25 0.00 -1.17 -0.27 119.26 121.54 1a49 h ALA 4692Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1a49 h ALA 4692Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a49 h ALA 4692CO 0.02 0.43 -0.14 1.98 0.00 0.00 0.00 179.25 181.54 1a49 h MET 4693N 0.81 -0.37 -0.35 0.00 1.85 -0.85 -0.73 114.93 115.31 1a49 h MET 4693Ca 0.21 0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.29 1a49 h MET 4693Cb -0.02 0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1a49 h MET 4693CO -0.04 -0.21 0.04 -0.91 -0.40 0.00 0.00 176.91 175.39 1a49 h ASN 4694N -0.43 0.48 -0.32 1.39 -0.26 -0.65 -2.20 115.58 113.60 1a49 h ASN 4694Ca -0.04 -0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 55.57 1a49 h ASN 4694Cb 0.32 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1a49 h ASN 4694CO 0.06 0.52 -0.01 0.58 -1.06 0.00 0.00 177.43 177.52 1a49 h VAL 4695N 0.51 1.26 -0.15 2.81 2.07 -0.79 -0.83 116.25 121.12 1a49 h VAL 4695Ca 0.11 -0.99 -0.16 0.00 0.82 0.00 0.00 66.70 66.49 1a49 h VAL 4695Cb 0.26 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1a49 h VAL 4695CO 0.00 0.32 -0.58 1.23 0.02 0.00 0.00 177.57 178.56 1a49 h GLY 4696N 0.37 0.52 0.89 2.17 0.00 -0.81 -1.97 103.07 104.24 1a49 h GLY 4696Ca 0.09 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1a49 h GLY 4696CO 0.02 0.56 0.01 0.50 0.00 0.00 0.00 176.54 177.63 1a49 h LYS 4697N 0.36 0.04 -0.42 4.80 1.57 -1.38 1.25 116.57 122.79 1a49 h LYS 4697Ca 0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1a49 h LYS 4697Cb 1.12 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1a49 h LYS 4697CO 0.10 0.03 0.24 0.00 -0.57 0.00 0.00 179.45 179.26 1a49 h ALA 4698N 1.07 1.64 -0.31 3.86 0.00 -0.99 -1.83 119.26 122.69 1a49 h ALA 4698Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a49 h ALA 4698Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1a49 h ALA 4698CO -0.06 0.31 0.00 0.54 0.00 0.00 0.00 179.25 180.05 1a49 n ARG 4699N -4.44 1.94 -1.94 0.00 1.74 -0.75 -4.89 116.66 108.31 1a49 n ARG 4699Ca 0.03 -1.44 -0.12 0.00 -0.77 0.00 0.00 57.85 55.55 1a49 n ARG 4699Cb 0.09 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.13 1a49 n ARG 4699CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a49 n GLY 4700N 1.20 0.35 0.15 -0.13 0.00 -0.69 -4.89 105.19 101.18 1a49 n GLY 4700Ca 0.16 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1a49 n GLY 4700CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a49 h PHE 4701N 0.00 0.37 -2.91 1.61 0.04 0.14 -3.45 116.94 112.74 1a49 h PHE 4701Ca -0.28 -0.18 0.03 0.00 2.80 0.00 0.00 57.97 60.34 1a49 h PHE 4701Cb 1.08 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 1a49 h PHE 4701CO 0.34 0.94 0.31 -0.59 -0.60 0.00 0.00 178.31 178.71 1a49 s PHE 4702N -3.43 0.03 0.20 -0.55 -0.12 -1.14 -4.92 117.98 108.05 1a49 s PHE 4702Ca -0.04 -0.61 0.03 0.00 -0.05 0.00 0.00 56.93 56.27 1a49 s PHE 4702Cb 0.11 0.78 -0.01 0.00 -0.63 0.00 0.00 43.02 43.27 1a49 s PHE 4702CO 0.83 -1.38 0.12 0.36 -0.05 0.00 0.00 175.22 175.10 1a49 n LYS 4703N -0.53 0.44 -1.76 1.99 2.85 -1.26 -4.15 118.16 115.74 1a49 n LYS 4703Ca -0.07 -1.86 -0.42 0.00 -1.05 0.00 0.00 58.31 54.92 1a49 n LYS 4703Cb 0.60 1.30 -0.01 0.00 -0.65 0.00 0.00 35.03 36.27 1a49 n LYS 4703CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1a49 n LYS 4704N -0.42 2.60 0.00 -1.58 5.02 -1.26 -2.42 118.16 120.12 1a49 n LYS 4704Ca 0.01 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.22 1a49 n LYS 4704Cb 0.33 -2.64 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 1a49 n LYS 4704CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a49 n GLY 4705N 0.99 3.01 3.28 0.72 0.00 0.72 -4.90 105.19 109.01 1a49 n GLY 4705Ca 0.04 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 1a49 n GLY 4705CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a49 n ASP 4706N 1.34 -3.31 -4.50 1.61 8.00 -1.01 -4.08 116.55 114.59 1a49 n ASP 4706Ca 0.00 0.26 -0.31 0.00 0.71 0.00 0.00 54.79 55.45 1a49 n ASP 4706Cb 0.00 -1.05 -0.12 0.00 -0.02 0.00 0.00 41.12 39.93 1a49 n ASP 4706CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1a49 s VAL 4707N -2.27 3.05 0.16 2.53 -7.23 -1.26 0.19 120.40 115.57 1a49 s VAL 4707Ca 0.51 -1.02 0.06 0.00 -1.81 0.00 0.00 61.98 59.72 1a49 s VAL 4707Cb -0.19 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1a49 s VAL 4707CO 0.72 0.38 -0.12 0.68 -0.31 0.00 0.00 175.10 176.45 1a49 s VAL 4708N -0.92 1.38 -0.25 1.32 -7.23 0.42 0.11 120.40 115.23 1a49 s VAL 4708Ca 0.15 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 1a49 s VAL 4708Cb -0.11 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1a49 s VAL 4708CO 0.05 -0.62 0.13 -0.63 -0.31 0.00 0.00 175.10 173.72 1a49 s ILE 4709N -2.93 4.97 -0.14 -0.62 1.01 0.21 -0.83 121.20 122.86 1a49 s ILE 4709Ca 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 1a49 s ILE 4709Cb -0.00 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1a49 s ILE 4709CO 0.03 0.33 -0.01 -0.69 0.00 0.00 0.00 174.94 174.61 1a49 s VAL 4710N 1.31 4.20 -0.20 2.92 1.01 0.45 -0.25 120.40 129.85 1a49 s VAL 4710Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1a49 s VAL 4710Cb -0.15 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1a49 s VAL 4710CO 0.06 0.51 -0.17 -0.76 0.00 0.00 0.00 175.10 174.74 1a49 s LEU 4711N 0.05 2.45 0.26 3.92 1.43 0.12 0.37 118.68 127.28 1a49 s LEU 4711Ca 0.02 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.33 1a49 s LEU 4711Cb -0.13 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1a49 s LEU 4711CO 0.02 -0.04 0.15 0.42 0.23 0.00 0.00 176.35 177.13 1a49 s THR 4712N 1.26 0.21 -0.14 5.49 -4.23 0.04 -1.78 115.64 116.49 1a49 s THR 4712Ca 0.02 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 1a49 s THR 4712Cb -0.15 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 1a49 s THR 4712CO -0.11 0.00 0.28 -0.83 -0.54 0.00 0.00 174.62 173.42 1a49 s GLY 4713N -3.29 2.23 0.28 3.99 0.00 -1.26 -0.43 107.32 108.84 1a49 s GLY 4713Ca 0.38 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1a49 s GLY 4713CO 0.16 0.28 1.86 -0.25 0.00 0.00 0.00 173.10 175.16 1a49 h TRP 4714N 6.24 1.14 -4.39 1.90 -0.00 -1.90 -3.43 115.95 115.51 1a49 h TRP 4714Ca -0.44 0.03 -0.26 0.00 -0.00 0.00 0.00 58.89 58.22 1a49 h TRP 4714Cb 1.18 -0.37 -0.12 0.00 -0.00 0.00 0.00 29.16 29.85 1a49 h TRP 4714CO 0.63 0.51 -0.41 1.03 -0.00 0.00 0.00 178.44 180.20 1a49 s ARG 4715N -5.96 1.53 0.76 2.65 0.52 -1.26 -5.02 118.95 112.16 1a49 s ARG 4715Ca -0.12 -1.67 -0.15 0.00 -0.52 0.00 0.00 55.73 53.27 1a49 s ARG 4715Cb 0.21 0.35 0.02 0.00 0.52 0.00 0.00 34.95 36.06 1a49 s ARG 4715CO 0.81 -0.57 0.96 -2.30 0.02 0.00 0.00 175.30 174.21 1a49 n PRO 4716N -0.43 0.37 -3.53 3.54 -0.01 -1.26 -2.56 135.00 131.12 1a49 n PRO 4716Ca 0.02 0.18 -0.26 0.00 -0.01 0.00 0.00 63.50 63.44 1a49 n PRO 4716Cb 0.64 -2.23 -0.00 0.00 -0.01 0.00 0.00 33.50 31.90 1a49 n PRO 4716CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1a49 n GLY 4717N 1.03 -0.48 0.19 -1.23 0.00 -1.26 -4.81 105.19 98.63 1a49 n GLY 4717Ca 0.13 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 1a49 n GLY 4717CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a49 h SER 4718N -1.14 0.27 0.00 1.61 0.02 -1.88 -3.47 113.55 108.96 1a49 h SER 4718Ca -0.46 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1a49 h SER 4718Cb 1.31 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1a49 h SER 4718CO 0.58 0.68 0.00 0.61 -1.14 0.00 0.00 176.83 177.56 1a49 n GLY 4719N -0.12 2.24 3.86 -3.77 0.00 -1.26 -4.98 105.19 101.16 1a49 n GLY 4719Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1a49 n GLY 4719CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a49 s PHE 4720N -2.33 0.12 -0.80 1.61 -0.71 -1.26 -5.02 117.98 109.60 1a49 s PHE 4720Ca 0.00 -0.66 -0.21 0.00 -1.04 0.00 0.00 56.93 55.02 1a49 s PHE 4720Cb 0.00 0.77 0.09 0.00 -1.21 0.00 0.00 43.02 42.68 1a49 s PHE 4720CO 0.00 -1.23 1.07 -0.08 -1.34 0.00 0.00 175.22 173.64 1a49 s THR 4721N -2.07 4.47 -2.22 -4.49 -1.32 -1.26 -4.20 115.64 104.54 1a49 s THR 4721Ca 0.20 -0.91 0.21 0.00 -1.21 0.00 0.00 61.69 59.98 1a49 s THR 4721Cb -0.04 -4.75 0.41 0.00 -1.51 0.00 0.00 72.50 66.61 1a49 s THR 4721CO 0.08 -1.52 1.36 -0.46 -2.21 0.00 0.00 174.62 171.88 1a49 n ASN 4722N 7.30 3.38 -4.09 8.08 0.23 0.43 -4.78 115.26 125.81 1a49 n ASN 4722Ca 0.11 -1.96 -0.30 0.00 -0.53 0.00 0.00 54.58 51.90 1a49 n ASN 4722Cb 0.47 -0.25 -0.17 0.00 -2.08 0.00 0.00 39.78 37.75 1a49 n ASN 4722CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1a49 s THR 4723N -1.36 1.69 -0.08 5.53 2.01 -0.19 -4.89 115.64 118.36 1a49 s THR 4723Ca 0.37 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1a49 s THR 4723Cb 0.21 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 71.20 1a49 s THR 4723CO 0.29 0.48 -0.14 -0.32 -0.69 0.00 0.00 174.62 174.24 1a49 s MET 4724N 1.01 1.97 0.12 4.92 1.75 -1.26 -0.78 119.30 127.04 1a49 s MET 4724Ca -0.05 -0.50 0.07 0.00 -1.25 0.00 0.00 55.69 53.96 1a49 s MET 4724Cb -0.15 -1.61 -0.04 0.00 2.84 0.00 0.00 34.83 35.88 1a49 s MET 4724CO -0.03 0.03 -0.16 1.03 -0.65 0.00 0.00 175.02 175.23 1a49 s ARG 4725N 0.70 1.07 -0.29 4.11 0.52 0.16 -4.94 118.95 120.29 1a49 s ARG 4725Ca -0.13 -1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 53.77 1a49 s ARG 4725Cb -0.16 -1.08 -0.01 0.00 0.52 0.00 0.00 34.95 34.23 1a49 s ARG 4725CO 0.03 0.22 0.10 0.08 0.02 0.00 0.00 175.30 175.75 1a49 s VAL 4726N -1.83 4.22 0.06 3.52 1.01 -1.26 0.17 120.40 126.29 1a49 s VAL 4726Ca 0.09 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1a49 s VAL 4726Cb -0.07 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1a49 s VAL 4726CO 0.04 0.15 -0.14 -0.69 0.00 0.00 0.00 175.10 174.46 1a49 s VAL 4727N 1.56 1.09 -0.01 2.92 1.01 -0.01 -4.97 120.40 121.99 1a49 s VAL 4727Ca 0.04 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 1a49 s VAL 4727Cb -0.17 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1a49 s VAL 4727CO 0.04 -0.13 0.34 -2.16 0.00 0.00 0.00 175.10 173.19 1a49 s PRO 4728N -1.46 3.76 -0.11 2.72 0.04 -1.26 0.16 135.00 138.85 1a49 s PRO 4728Ca -0.01 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.96 1a49 s PRO 4728Cb -0.09 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 1a49 s PRO 4728CO 0.02 0.69 1.33 0.08 0.04 0.00 0.00 177.00 179.16 1a49 s VAL 4729N -1.13 4.09 -2.21 -0.36 1.01 0.50 -4.82 120.40 117.47 1a49 s VAL 4729Ca 0.23 1.36 0.30 0.00 0.00 0.00 0.00 61.98 63.88 1a49 s VAL 4729Cb -0.15 -3.88 0.76 0.00 0.00 0.00 0.00 36.38 33.11 1a49 s VAL 4729CO 0.12 -0.09 2.03 -0.81 0.00 0.00 0.00 175.10 176.35