#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pga s SER 4004N 0.00 -0.69 0.00 3.14 0.15 -1.26 -4.41 113.70 110.63 2pga s SER 4004Ca 0.00 1.04 0.30 0.00 0.70 0.00 0.00 55.95 57.99 2pga s SER 4004Cb 0.00 1.48 1.48 0.00 -1.71 0.00 0.00 66.02 67.27 2pga s SER 4004CO 0.00 -0.16 2.00 0.47 1.20 0.00 0.00 173.24 176.75 2pga n ASP 4005N 4.32 0.52 -4.16 5.45 8.00 0.80 -4.84 116.55 126.65 2pga n ASP 4005Ca -0.16 -0.98 -0.12 0.00 0.71 0.00 0.00 54.79 54.24 2pga n ASP 4005Cb 0.56 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 2pga n ASP 4005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2pga s VAL 4006N -2.15 0.74 0.08 2.53 -7.23 -1.23 -5.03 120.40 108.11 2pga s VAL 4006Ca 0.39 -1.77 -0.15 0.00 -1.81 0.00 0.00 61.98 58.64 2pga s VAL 4006Cb 0.21 -1.49 -0.16 0.00 0.56 0.00 0.00 36.38 35.50 2pga s VAL 4006CO 0.39 -0.75 1.28 0.15 -0.31 0.00 0.00 175.10 175.86 2pga h PHE 4007N 3.27 0.93 0.00 2.82 3.57 -1.94 -3.37 116.94 122.22 2pga h PHE 4007Ca -0.36 -0.41 -0.32 0.00 3.53 0.00 0.00 57.97 60.41 2pga h PHE 4007Cb 1.18 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.71 2pga h PHE 4007CO 0.61 1.22 -2.22 0.72 -2.23 0.00 0.00 178.31 176.41 2pga n HIS 4008N -4.06 0.00 0.19 0.41 8.25 -1.26 -4.61 115.22 114.14 2pga n HIS 4008Ca -0.08 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.46 2pga n HIS 4008Cb 0.68 -0.85 0.16 0.00 1.12 0.00 0.00 29.99 31.10 2pga n HIS 4008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2pga h LEU 4009N 0.00 0.00 0.57 2.41 3.38 -1.92 -3.45 115.31 116.30 2pga h LEU 4009Ca -0.48 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.22 2pga h LEU 4009Cb 1.95 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.74 2pga h LEU 4009CO -0.01 0.24 -0.41 0.61 0.09 0.00 0.00 178.44 178.95 2pga n GLY 4010N 1.02 -0.13 3.47 0.83 0.00 -1.26 -4.69 105.19 104.43 2pga n GLY 4010Ca 0.03 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 2pga n GLY 4010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 4011N -4.64 2.62 0.27 0.99 1.43 -1.26 -4.74 118.68 113.35 2pga s LEU 4011Ca 0.20 -0.78 0.11 0.00 -1.03 0.00 0.00 54.13 52.62 2pga s LEU 4011Cb -0.09 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 2pga s LEU 4011CO 0.24 0.11 -0.08 0.42 0.23 0.00 0.00 176.35 177.27 2pga s THR 4012N -1.72 3.02 0.37 5.49 -4.23 -1.26 -0.14 115.64 117.18 2pga s THR 4012Ca 0.22 -2.12 0.09 0.00 -1.18 0.00 0.00 61.69 58.71 2pga s THR 4012Cb -0.08 -2.62 0.32 0.00 1.34 0.00 0.00 72.50 71.45 2pga s THR 4012CO 0.12 -0.38 1.92 0.50 -0.54 0.00 0.00 174.62 176.24 2pga h LYS 4013N 2.04 0.63 -0.90 3.99 3.64 -1.96 -0.11 116.57 123.90 2pga h LYS 4013Ca -0.42 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2pga h LYS 4013Cb 1.25 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 2pga h LYS 4013CO 0.60 0.42 0.59 -0.97 -2.27 0.00 0.00 179.45 177.82 2pga h ASN 4014N 0.65 1.01 -0.75 4.20 -1.24 -1.95 -2.50 115.58 115.01 2pga h ASN 4014Ca 0.38 -0.02 0.22 0.00 0.71 0.00 0.00 56.30 57.58 2pga h ASN 4014Cb 0.57 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.35 2pga h ASN 4014CO -0.15 0.72 0.54 0.44 -1.29 0.00 0.00 177.43 177.69 2pga h ASP 4015N 1.19 0.00 1.68 1.15 3.45 -1.40 -2.10 116.42 120.39 2pga h ASP 4015Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 2pga h ASP 4015Cb -0.08 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 2pga h ASP 4015CO -0.09 0.00 -0.20 -0.07 -1.57 0.00 0.00 179.24 177.31 2pga h LEU 4016N 0.00 0.00 -1.08 1.55 4.07 -1.45 -3.48 115.31 114.92 2pga h LEU 4016Ca 0.35 -0.01 -0.50 0.00 0.08 0.00 0.00 57.88 57.80 2pga h LEU 4016Cb 1.42 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.08 2pga h LEU 4016CO -0.00 0.01 -0.79 0.00 -1.08 0.00 0.00 178.44 176.57 2pga n GLN 4017N -2.82 -4.76 -0.83 1.13 1.13 -0.79 -0.97 117.38 109.46 2pga n GLN 4017Ca 0.04 0.53 0.00 0.00 -1.94 0.00 0.00 57.00 55.62 2pga n GLN 4017Cb 0.51 -5.34 0.00 0.00 0.11 0.00 0.00 30.24 25.52 2pga n GLN 4017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pga n GLY 4018N -1.61 0.73 3.70 1.08 0.00 -1.26 -4.61 105.19 103.21 2pga n GLY 4018Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2pga n GLY 4018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga n ALA 4019N 0.50 1.55 -0.04 4.61 0.00 -0.14 -4.83 120.51 122.16 2pga n ALA 4019Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2pga n ALA 4019Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.13 2pga n ALA 4019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pga n GLN 4020N 1.56 2.20 -4.86 0.00 6.02 -1.26 -4.32 117.38 116.73 2pga n GLN 4020Ca 0.08 -0.27 -0.26 0.00 -0.01 0.00 0.00 57.00 56.55 2pga n GLN 4020Cb 0.34 -0.76 -0.16 0.00 1.02 0.00 0.00 30.24 30.69 2pga n GLN 4020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2pga s LEU 4021N -0.78 1.97 -0.02 1.08 0.20 -1.26 -0.62 118.68 119.25 2pga s LEU 4021Ca 0.00 -0.34 0.05 0.00 0.69 0.00 0.00 54.13 54.53 2pga s LEU 4021Cb 0.00 -0.96 -0.01 0.00 -0.43 0.00 0.00 46.19 44.79 2pga s LEU 4021CO 0.00 0.19 -0.18 0.00 -0.29 0.00 0.00 176.35 176.07 2pga s ALA 4022N -0.17 1.49 -0.23 5.97 0.00 0.08 -1.71 121.76 127.19 2pga s ALA 4022Ca 0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 2pga s ALA 4022Cb -0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 2pga s ALA 4022CO 0.01 0.36 0.19 0.42 0.00 0.00 0.00 175.76 176.74 2pga s ILE 4023N -0.40 5.34 -0.52 0.00 1.01 0.17 -1.10 121.20 125.71 2pga s ILE 4023Ca 0.06 0.25 0.04 0.00 0.00 0.00 0.00 60.65 61.00 2pga s ILE 4023Cb -0.07 -3.53 0.13 0.00 0.01 0.00 0.00 42.46 39.00 2pga s ILE 4023CO -0.01 0.34 0.28 0.68 0.00 0.00 0.00 174.94 176.23 2pga s VAL 4024N 1.06 2.39 0.76 2.92 -7.23 -0.19 -1.41 120.40 118.69 2pga s VAL 4024Ca 0.09 -3.27 -0.12 0.00 -1.81 0.00 0.00 61.98 56.88 2pga s VAL 4024Cb -0.14 -2.65 0.05 0.00 0.56 0.00 0.00 36.38 34.20 2pga s VAL 4024CO 0.05 -0.84 1.13 -2.16 -0.31 0.00 0.00 175.10 172.96 2pga s PRO 4025N -0.28 2.38 0.05 4.82 0.04 -1.23 -3.43 135.00 137.35 2pga s PRO 4025Ca 0.18 0.36 -0.15 0.00 0.04 0.00 0.00 61.00 61.43 2pga s PRO 4025Cb -0.24 -1.98 -0.31 0.00 0.04 0.00 0.00 34.50 32.01 2pga s PRO 4025CO -0.02 -1.35 1.07 0.78 0.04 0.00 0.00 177.00 177.52 2pga h GLY 4026N -0.88 0.68 -6.93 0.56 0.00 -1.84 -0.21 103.07 94.46 2pga h GLY 4026Ca -0.46 -1.52 -0.62 0.00 0.00 0.00 0.00 47.33 44.73 2pga h GLY 4026CO 0.64 1.34 -0.05 -0.35 0.00 0.00 0.00 176.54 178.12 2pga s ASP 4027N -7.49 6.39 0.53 0.19 3.68 -1.26 -1.37 116.67 117.34 2pga s ASP 4027Ca -0.09 0.43 0.23 0.00 2.13 0.00 0.00 52.55 55.25 2pga s ASP 4027Cb 0.05 -2.27 1.36 0.00 -1.45 0.00 0.00 42.92 40.61 2pga s ASP 4027CO 0.94 -0.29 2.03 1.55 0.13 0.00 0.00 175.17 179.53 2pga h PRO 4028N 8.09 0.01 0.00 4.34 0.13 -1.88 -0.43 132.00 142.26 2pga h PRO 4028Ca -0.29 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2pga h PRO 4028Cb 1.14 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2pga h PRO 4028CO 0.71 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.87 2pga n GLU 4029N -4.42 0.18 0.00 0.86 1.02 -1.26 -2.55 120.64 114.48 2pga n GLU 4029Ca 0.07 0.12 0.10 0.00 -0.02 0.00 0.00 57.16 57.44 2pga n GLU 4029Cb 0.49 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.34 2pga n GLU 4029CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pga n ARG 4030N -1.36 0.58 -0.01 3.49 5.12 -0.17 -4.51 116.66 119.79 2pga n ARG 4030Ca 0.08 -0.38 -0.12 0.00 -1.93 0.00 0.00 57.85 55.50 2pga n ARG 4030Cb 0.18 -1.47 -0.07 0.00 -1.16 0.00 0.00 32.46 29.94 2pga n ARG 4030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2pga h VAL 4031N 0.92 1.19 -0.75 1.55 2.07 -1.56 -2.35 116.25 117.32 2pga h VAL 4031Ca 0.00 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.98 2pga h VAL 4031Cb 0.59 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2pga h VAL 4031CO 0.00 0.16 0.48 -0.08 0.02 0.00 0.00 177.57 178.14 2pga h GLU 4032N -0.09 0.91 -0.61 1.57 4.81 -1.79 -1.04 114.58 118.34 2pga h GLU 4032Ca 0.02 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2pga h GLU 4032Cb 0.23 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 2pga h GLU 4032CO -0.00 0.60 0.30 0.87 -0.73 0.00 0.00 179.01 180.05 2pga h LYS 4033N 0.94 0.52 -0.06 1.92 1.57 -1.76 -1.26 116.57 118.44 2pga h LYS 4033Ca 0.29 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2pga h LYS 4033Cb -0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2pga h LYS 4033CO -0.10 0.35 -0.08 0.82 -0.57 0.00 0.00 179.45 179.87 2pga h ILE 4034N 0.54 1.40 -0.60 1.86 2.04 -0.93 -3.05 117.51 118.76 2pga h ILE 4034Ca 0.29 -1.31 0.11 0.00 1.00 0.00 0.00 64.86 64.95 2pga h ILE 4034Cb 0.26 2.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 2pga h ILE 4034CO -0.22 0.36 0.40 0.00 0.00 0.00 0.00 178.15 178.69 2pga h ALA 4035N 0.52 2.06 0.00 1.87 0.00 -1.05 -0.59 119.26 122.06 2pga h ALA 4035Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pga h ALA 4035Cb 0.62 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2pga h ALA 4035CO 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 179.25 179.06 2pga h ALA 4036N 1.70 1.01 0.00 0.00 0.00 -1.12 -1.10 119.26 119.76 2pga h ALA 4036Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2pga h ALA 4036Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2pga h ALA 4036CO -0.07 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.47 2pga n LEU 4037N -3.12 0.00 0.00 0.00 4.77 -0.23 -4.83 117.00 113.59 2pga n LEU 4037Ca -0.01 0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 56.13 2pga n LEU 4037Cb 0.23 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2pga n LEU 4037CO 0.25 -0.10 -0.13 0.23 -1.33 0.00 0.00 177.39 176.31 2pga n MET 4038N -1.33 1.33 -3.11 3.23 2.81 -0.42 -5.13 117.12 114.50 2pga n MET 4038Ca 0.09 -2.00 -0.32 0.00 -1.81 0.00 0.00 57.70 53.66 2pga n MET 4038Cb 0.18 0.53 -0.05 0.00 -0.71 0.00 0.00 33.22 33.17 2pga n MET 4038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2pga s ASP 4039N -2.51 6.71 -1.37 7.83 1.01 0.05 -4.45 116.67 123.93 2pga s ASP 4039Ca 0.00 1.22 -0.08 0.00 0.71 0.00 0.00 52.55 54.40 2pga s ASP 4039Cb -0.00 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.59 2pga s ASP 4039CO 0.00 -0.23 0.41 0.29 0.21 0.00 0.00 175.17 175.85 2pga n LYS 4040N -0.54 -1.98 -2.10 8.23 5.02 -1.26 0.30 118.16 125.83 2pga n LYS 4040Ca 0.03 0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 56.19 2pga n LYS 4040Cb 0.53 -3.96 -0.03 0.00 -0.02 0.00 0.00 35.03 31.56 2pga n LYS 4040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2pga s PRO 4041N -6.79 4.28 -0.04 1.97 0.04 -1.26 -4.40 135.00 128.79 2pga s PRO 4041Ca 0.14 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.35 2pga s PRO 4041Cb -0.06 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.16 2pga s PRO 4041CO 0.92 -0.53 -0.08 0.08 0.04 0.00 0.00 177.00 177.43 2pga s VAL 4042N 1.53 0.76 0.24 -0.36 1.01 0.31 -4.99 120.40 118.90 2pga s VAL 4042Ca 0.67 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 2pga s VAL 4042Cb -0.38 -0.72 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 2pga s VAL 4042CO 0.30 0.26 1.11 -0.75 0.00 0.00 0.00 175.10 176.02 2pga s LYS 4043N 0.63 4.61 -0.17 2.72 2.20 -1.26 -0.35 119.74 128.12 2pga s LYS 4043Ca -0.10 1.79 -0.11 0.00 -0.36 0.00 0.00 55.97 57.19 2pga s LYS 4043Cb -0.13 -3.22 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 2pga s LYS 4043CO 0.01 0.14 -0.25 1.28 -0.36 0.00 0.00 175.35 176.17 2pga n LEU 4044N 1.68 1.47 -3.47 5.43 4.77 0.32 -4.87 117.00 122.33 2pga n LEU 4044Ca 0.01 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 2pga n LEU 4044Cb 0.45 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2pga n LEU 4044CO 0.54 0.20 0.55 0.00 -1.33 0.00 0.00 177.39 177.35 2pga s ALA 4045N -2.43 -1.73 -0.26 -1.18 0.00 -1.03 -5.00 121.76 110.13 2pga s ALA 4045Ca -0.26 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 2pga s ALA 4045Cb 0.09 0.55 0.14 0.00 0.00 0.00 0.00 23.12 23.89 2pga s ALA 4045CO 0.34 -0.69 0.36 0.45 0.00 0.00 0.00 175.76 176.21 2pga s SER 4046N -2.47 0.59 -0.03 0.00 0.15 -1.26 -0.62 113.70 110.06 2pga s SER 4046Ca 0.02 -0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 2pga s SER 4046Cb -0.01 0.95 0.03 0.00 -1.71 0.00 0.00 66.02 65.28 2pga s SER 4046CO -0.09 -0.33 0.02 -1.00 1.20 0.00 0.00 173.24 173.04 2pga s HIS 4047N 2.50 0.13 0.00 3.44 3.76 -0.38 -4.98 115.29 119.76 2pga s HIS 4047Ca 0.11 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 2pga s HIS 4047Cb -0.15 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.22 2pga s HIS 4047CO -0.21 -0.12 0.00 0.54 -0.85 0.00 0.00 174.74 174.11 2pga n ARG 4048N 4.29 0.00 -0.24 1.40 1.74 -1.26 -0.50 116.66 122.09 2pga n ARG 4048Ca -0.25 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.88 2pga n ARG 4048Cb 0.50 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.10 2pga n ARG 4048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2pga n GLU 4049N 14.00 2.05 -3.59 5.56 0.00 -1.26 -4.76 120.64 132.64 2pga n GLU 4049Ca 0.00 -1.24 -0.40 0.00 0.00 0.00 0.00 57.16 55.52 2pga n GLU 4049Cb 0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 31.44 29.92 2pga n GLU 4049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2pga s PHE 4050N -1.63 3.48 -0.16 -1.84 0.40 0.34 -3.84 117.98 114.73 2pga s PHE 4050Ca 0.22 -2.09 -0.04 0.00 -0.60 0.00 0.00 56.93 54.43 2pga s PHE 4050Cb 0.13 -3.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.19 2pga s PHE 4050CO 0.12 -0.97 -0.03 0.99 0.70 0.00 0.00 175.22 176.03 2pga s THR 4051N 1.01 3.90 -0.02 0.64 2.01 -1.26 -1.24 115.64 120.67 2pga s THR 4051Ca 0.09 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.77 2pga s THR 4051Cb -0.23 -2.71 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 2pga s THR 4051CO -0.02 0.49 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.33 2pga s SER 4052N 0.41 1.56 0.14 3.53 1.04 0.21 -1.59 113.70 118.99 2pga s SER 4052Ca -0.04 -0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.22 2pga s SER 4052Cb -0.14 -0.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 2pga s SER 4052CO 0.03 0.14 -0.16 0.26 0.98 0.00 0.00 173.24 174.49 2pga s TRP 4053N -0.15 1.60 0.11 5.02 0.52 0.57 -0.52 118.94 126.09 2pga s TRP 4053Ca 0.02 -0.51 0.07 0.00 0.02 0.00 0.00 56.10 55.70 2pga s TRP 4053Cb -0.07 -0.82 -0.04 0.00 -1.15 0.00 0.00 33.47 31.39 2pga s TRP 4053CO 0.00 0.23 -0.09 0.50 0.02 0.00 0.00 176.95 177.60 2pga s ARG 4054N -2.68 2.15 0.07 4.98 3.52 0.53 -0.44 118.95 127.08 2pga s ARG 4054Ca 0.12 -1.03 -0.00 0.00 -0.13 0.00 0.00 55.73 54.68 2pga s ARG 4054Cb -0.05 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 2pga s ARG 4054CO 0.05 0.50 0.10 0.00 -0.81 0.00 0.00 175.30 175.14 2pga n ALA 4055N 0.64 -0.08 -3.09 6.12 0.00 0.31 -0.53 120.51 123.88 2pga n ALA 4055Ca -0.13 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 52.78 2pga n ALA 4055Cb 0.52 0.27 -0.15 0.00 0.00 0.00 0.00 19.45 20.09 2pga n ALA 4055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2pga s GLU 4056N -2.16 0.83 -0.18 0.00 2.12 0.15 -0.87 118.70 118.59 2pga s GLU 4056Ca 0.06 -0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.11 2pga s GLU 4056Cb -0.00 -0.80 0.06 0.00 0.26 0.00 0.00 34.13 33.65 2pga s GLU 4056CO 0.04 0.08 0.04 -1.17 -0.54 0.00 0.00 175.26 173.71 2pga s LEU 4057N 0.26 0.99 -1.50 2.70 2.96 -0.05 -0.77 118.68 123.28 2pga s LEU 4057Ca -0.04 -0.72 -0.13 0.00 -0.22 0.00 0.00 54.13 53.02 2pga s LEU 4057Cb -0.08 -0.52 0.08 0.00 0.50 0.00 0.00 46.19 46.17 2pga s LEU 4057CO 0.00 -0.30 0.82 0.47 -1.32 0.00 0.00 176.35 176.02 2pga n ASP 4058N 5.10 -4.54 0.00 3.68 10.43 -1.26 -2.02 116.55 127.93 2pga n ASP 4058Ca -0.08 -0.67 0.00 0.00 2.57 0.00 0.00 54.79 56.61 2pga n ASP 4058Cb 0.48 -3.66 0.00 0.00 1.84 0.00 0.00 41.12 39.77 2pga n ASP 4058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pga n GLY 4059N -1.52 0.78 3.46 0.44 0.00 -1.26 -5.05 105.19 102.04 2pga n GLY 4059Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2pga n GLY 4059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pga s LYS 4060N -0.69 2.14 0.32 1.61 1.02 -0.86 -5.09 119.74 118.19 2pga s LYS 4060Ca 0.00 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 54.76 2pga s LYS 4060Cb 0.00 -2.22 -0.10 0.00 -0.52 0.00 0.00 37.83 35.00 2pga s LYS 4060CO 0.00 0.55 1.21 0.00 -0.92 0.00 0.00 175.35 176.19 2pga s ALA 4061N -0.90 3.43 0.00 5.17 0.00 -1.26 -0.87 121.76 127.33 2pga s ALA 4061Ca 0.14 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2pga s ALA 4061Cb -0.11 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2pga s ALA 4061CO 0.05 -0.43 -0.03 0.08 0.00 0.00 0.00 175.76 175.42 2pga s VAL 4062N -1.18 0.23 -0.08 0.00 1.01 -0.05 -4.15 120.40 116.19 2pga s VAL 4062Ca 0.48 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 2pga s VAL 4062Cb -0.36 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2pga s VAL 4062CO 0.47 -0.01 0.12 -0.63 0.00 0.00 0.00 175.10 175.04 2pga s ILE 4063N -0.26 5.20 -0.15 2.22 -1.09 -0.69 -0.53 121.20 125.89 2pga s ILE 4063Ca -0.01 0.00 0.02 0.00 -2.23 0.00 0.00 60.65 58.43 2pga s ILE 4063Cb -0.02 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.57 2pga s ILE 4063CO -0.00 0.54 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.36 2pga s VAL 4064N -1.07 2.23 -0.09 2.92 1.01 0.41 -0.65 120.40 125.15 2pga s VAL 4064Ca 0.17 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2pga s VAL 4064Cb -0.12 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.40 2pga s VAL 4064CO 0.07 0.54 0.21 0.00 0.00 0.00 0.00 175.10 175.92 2pga s SER 4066N 1.52 5.95 -0.01 0.00 1.04 -0.62 -3.49 113.70 118.09 2pga s SER 4066Ca -0.06 1.90 0.15 0.00 0.48 0.00 0.00 55.95 58.42 2pga s SER 4066Cb -0.11 -2.55 -0.21 0.00 0.10 0.00 0.00 66.02 63.25 2pga s SER 4066CO -0.07 -1.05 0.46 0.35 0.98 0.00 0.00 173.24 173.90 2pga n THR 4067N -1.59 0.00 -0.51 2.02 -2.24 -0.09 -4.45 114.28 107.42 2pga n THR 4067Ca 0.09 -0.27 0.07 0.00 -2.27 0.00 0.00 64.05 61.67 2pga n THR 4067Cb 0.52 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 2pga n THR 4067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pga n GLY 4068N 1.52 -1.55 3.69 3.38 0.00 -0.47 -3.18 105.19 108.57 2pga n GLY 4068Ca -0.00 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 2pga n GLY 4068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 4069N -1.52 4.91 0.00 -0.61 1.01 -1.26 -4.68 121.20 119.05 2pga s ILE 4069Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.32 2pga s ILE 4069Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.32 2pga s ILE 4069CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.65 2pga n GLY 4070N 3.27 2.45 0.29 6.18 0.00 -1.26 -4.66 105.19 111.47 2pga n GLY 4070Ca 0.04 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.24 2pga n GLY 4070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pga h GLY 4071N 0.00 1.18 1.00 -0.02 0.00 -1.85 -2.01 103.07 101.37 2pga h GLY 4071Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2pga h GLY 4071CO 0.00 0.06 -0.08 -2.55 0.00 0.00 0.00 176.54 173.97 2pga h PRO 4072N 0.65 -0.21 -0.47 4.80 0.11 -1.94 0.30 132.00 135.24 2pga h PRO 4072Ca 0.38 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.42 2pga h PRO 4072Cb 0.42 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 2pga h PRO 4072CO -0.28 -0.14 -0.06 1.03 -0.21 0.00 0.00 178.00 178.34 2pga h SER 4073N -0.23 0.81 -0.66 -2.05 0.87 -1.79 -2.32 113.55 108.18 2pga h SER 4073Ca -0.02 -0.22 0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2pga h SER 4073Cb 0.17 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 2pga h SER 4073CO 0.04 0.91 0.36 0.74 -0.53 0.00 0.00 176.83 178.35 2pga h THR 4074N 0.76 0.96 -0.24 2.23 2.02 -1.09 -2.24 112.91 115.31 2pga h THR 4074Ca 0.14 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 2pga h THR 4074Cb 0.54 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2pga h THR 4074CO 0.03 0.12 -0.06 0.77 0.37 0.00 0.00 175.52 176.75 2pga h SER 4075N 0.67 0.35 -0.07 4.18 4.64 0.14 -0.58 113.55 122.89 2pga h SER 4075Ca 0.30 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 2pga h SER 4075Cb 0.19 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2pga h SER 4075CO -0.18 0.47 -0.03 0.40 -0.87 0.00 0.00 176.83 176.61 2pga h ILE 4076N 0.36 1.32 -0.62 0.95 2.04 -1.14 -1.71 117.51 118.71 2pga h ILE 4076Ca 0.08 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 2pga h ILE 4076Cb 0.35 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2pga h ILE 4076CO 0.02 0.28 0.33 0.00 0.00 0.00 0.00 178.15 178.78 2pga h ALA 4077N 0.63 0.79 -0.21 1.87 0.00 -0.94 -1.10 119.26 120.30 2pga h ALA 4077Ca 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2pga h ALA 4077Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pga h ALA 4077CO 0.01 0.32 -0.08 0.28 0.00 0.00 0.00 179.25 179.77 2pga h VAL 4078N 0.84 1.30 -0.27 0.00 2.07 -1.16 -0.50 116.25 118.53 2pga h VAL 4078Ca 0.22 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2pga h VAL 4078Cb 0.05 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2pga h VAL 4078CO -0.03 0.34 0.18 -0.08 0.02 0.00 0.00 177.57 177.99 2pga h GLU 4079N 0.14 0.36 -0.20 1.57 4.57 -1.15 0.11 114.58 119.98 2pga h GLU 4079Ca 0.05 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.04 2pga h GLU 4079Cb 0.56 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2pga h GLU 4079CO 0.03 0.25 -0.57 0.93 -1.18 0.00 0.00 179.01 178.48 2pga h GLU 4080N 0.36 0.61 -0.83 1.92 5.08 -1.17 -0.12 114.58 120.44 2pga h GLU 4080Ca 0.10 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 2pga h GLU 4080Cb -0.02 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2pga h GLU 4080CO -0.02 1.01 0.36 -0.07 -1.00 0.00 0.00 179.01 179.28 2pga h LEU 4081N 0.46 1.12 -0.74 1.33 3.38 -0.93 -2.01 115.31 117.92 2pga h LEU 4081Ca 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2pga h LEU 4081Cb 1.12 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2pga h LEU 4081CO 0.11 0.97 0.39 0.00 0.09 0.00 0.00 178.44 180.00 2pga h ALA 4082N 1.19 0.95 -0.59 1.53 0.00 -0.38 -0.50 119.26 121.47 2pga h ALA 4082Ca 0.28 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2pga h ALA 4082Cb 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2pga h ALA 4082CO -0.03 0.48 0.39 1.96 0.00 0.00 0.00 179.25 182.06 2pga h GLN 4083N 1.03 0.50 -0.01 0.00 4.20 -0.67 -0.58 115.11 119.59 2pga h GLN 4083Ca 0.26 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2pga h GLN 4083Cb 0.06 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2pga h GLN 4083CO -0.04 0.33 -0.01 1.28 -0.67 0.00 0.00 178.83 179.73 2pga n LEU 4084N -4.48 0.96 0.00 1.46 4.77 -0.59 -4.90 117.00 114.23 2pga n LEU 4084Ca 0.09 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2pga n LEU 4084Cb 0.27 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2pga n LEU 4084CO 0.34 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2pga n GLY 4085N 1.13 0.85 3.73 -0.72 0.00 -0.22 -4.84 105.19 105.12 2pga n GLY 4085Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2pga n GLY 4085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 4086N -2.00 3.42 0.00 -0.61 -1.09 -0.30 -4.57 121.20 116.04 2pga s ILE 4086Ca 0.00 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.53 2pga s ILE 4086Cb 0.00 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 2pga s ILE 4086CO 0.00 0.14 0.03 0.54 -1.23 0.00 0.00 174.94 174.42 2pga n ARG 4087N 3.08 6.09 -4.11 2.79 5.12 0.21 -4.14 116.66 125.69 2pga n ARG 4087Ca 0.07 -0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.76 2pga n ARG 4087Cb 0.44 -0.50 -0.17 0.00 -1.16 0.00 0.00 32.46 31.07 2pga n ARG 4087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2pga s THR 4088N -0.88 0.57 -0.11 0.55 2.01 -0.89 -0.87 115.64 116.04 2pga s THR 4088Ca 0.00 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.91 2pga s THR 4088Cb 0.00 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.91 2pga s THR 4088CO 0.00 0.25 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.64 2pga s PHE 4089N 1.11 2.11 -0.27 4.92 0.40 0.34 -0.74 117.98 125.85 2pga s PHE 4089Ca -0.08 -0.96 0.01 0.00 -0.60 0.00 0.00 56.93 55.30 2pga s PHE 4089Cb -0.14 -1.48 0.05 0.00 0.51 0.00 0.00 43.02 41.96 2pga s PHE 4089CO -0.01 -0.46 -0.06 -0.51 0.70 0.00 0.00 175.22 174.88 2pga s LEU 4090N 0.79 3.60 0.11 -0.37 1.43 -0.25 -1.22 118.68 122.75 2pga s LEU 4090Ca -0.10 -1.30 -0.29 0.00 -1.03 0.00 0.00 54.13 51.41 2pga s LEU 4090Cb -0.16 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 2pga s LEU 4090CO 0.01 -0.21 0.90 -0.60 0.23 0.00 0.00 176.35 176.68 2pga s ARG 4091N 1.18 4.65 -0.15 1.70 3.52 -0.29 -1.03 118.95 128.54 2pga s ARG 4091Ca -0.07 1.34 0.01 0.00 -0.13 0.00 0.00 55.73 56.89 2pga s ARG 4091Cb -0.20 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2pga s ARG 4091CO -0.03 0.27 -0.17 -1.50 -0.81 0.00 0.00 175.30 173.05 2pga s ILE 4092N -0.14 1.76 0.11 4.11 -1.16 -1.22 -1.65 121.20 123.01 2pga s ILE 4092Ca 0.44 -0.77 0.02 0.00 -0.51 0.00 0.00 60.65 59.83 2pga s ILE 4092Cb -0.23 -1.61 -0.01 0.00 0.61 0.00 0.00 42.46 41.22 2pga s ILE 4092CO 0.28 0.49 0.07 0.61 -2.81 0.00 0.00 174.94 173.59 2pga n GLY 4093N 4.54 3.73 3.55 1.50 0.00 -0.67 -4.05 105.19 113.79 2pga n GLY 4093Ca -0.19 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 2pga n GLY 4093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pga s THR 4094N -2.29 2.93 -0.01 2.61 -4.23 -1.26 -1.62 115.64 111.77 2pga s THR 4094Ca 0.10 -2.09 -0.29 0.00 -1.18 0.00 0.00 61.69 58.23 2pga s THR 4094Cb 0.01 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.39 2pga s THR 4094CO 0.07 -0.33 0.67 0.28 -0.54 0.00 0.00 174.62 174.78 2pga s THR 4095N -2.26 0.00 -0.26 3.99 -1.32 -0.87 -4.86 115.64 110.07 2pga s THR 4095Ca 0.29 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.67 2pga s THR 4095Cb -0.06 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2pga s THR 4095CO 0.16 0.00 0.16 -0.83 -2.21 0.00 0.00 174.62 171.91 2pga s GLY 4096N -1.51 1.93 0.45 6.08 0.00 -1.18 -0.79 107.32 112.30 2pga s GLY 4096Ca -0.08 -1.00 -0.22 0.00 0.00 0.00 0.00 44.72 43.42 2pga s GLY 4096CO 0.05 0.51 1.06 0.00 0.00 0.00 0.00 173.10 174.72 2pga s ALA 4097N 1.41 2.97 0.00 3.20 0.00 0.24 -1.53 121.76 128.05 2pga s ALA 4097Ca 0.07 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2pga s ALA 4097Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2pga s ALA 4097CO 0.07 -0.31 0.64 0.44 0.00 0.00 0.00 175.76 176.60 2pga n ILE 4098N -0.55 0.35 -3.83 0.00 -5.35 0.19 -0.04 119.36 110.13 2pga n ILE 4098Ca 0.07 -0.61 -0.36 0.00 -0.27 0.00 0.00 62.75 61.58 2pga n ILE 4098Cb 0.51 0.90 -0.07 0.00 -1.74 0.00 0.00 39.64 39.24 2pga n ILE 4098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2pga s GLN 4099N -0.35 3.81 0.51 6.28 -1.52 -1.23 -4.71 119.66 122.44 2pga s GLN 4099Ca 0.00 -0.19 0.20 0.00 -1.95 0.00 0.00 55.36 53.41 2pga s GLN 4099Cb 0.00 -3.29 1.29 0.00 -0.22 0.00 0.00 33.01 30.79 2pga s GLN 4099CO 0.00 0.52 2.06 -1.00 -0.25 0.00 0.00 175.29 176.62 2pga h PRO 4100N 5.87 0.06 -0.00 2.91 0.13 -1.96 -2.47 132.00 136.55 2pga h PRO 4100Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2pga h PRO 4100Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2pga h PRO 4100CO 0.67 0.04 -0.15 -2.39 -0.23 0.00 0.00 178.00 175.94 2pga n HIS 4101N -4.46 0.00 -3.39 1.56 1.44 -1.26 -4.74 115.22 104.38 2pga n HIS 4101Ca 0.04 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.36 2pga n HIS 4101Cb 0.35 -0.24 -0.09 0.00 0.12 0.00 0.00 29.99 30.14 2pga n HIS 4101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2pga s ILE 4102N -2.63 5.17 0.32 0.61 1.01 -0.93 -5.07 121.20 119.69 2pga s ILE 4102Ca 0.24 0.59 -0.05 0.00 0.00 0.00 0.00 60.65 61.43 2pga s ILE 4102Cb 0.19 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 2pga s ILE 4102CO 0.52 0.16 0.60 0.20 0.00 0.00 0.00 174.94 176.41 2pga s ASN 4103N 1.60 6.43 0.31 3.58 0.01 -1.26 -4.88 114.94 120.72 2pga s ASN 4103Ca 0.15 0.76 -0.30 0.00 -0.71 0.00 0.00 52.86 52.76 2pga s ASN 4103Cb -0.16 -2.16 -0.11 0.00 0.41 0.00 0.00 41.25 39.23 2pga s ASN 4103CO 0.10 -0.26 1.57 -0.69 -1.51 0.00 0.00 177.10 176.31 2pga s VAL 4104N -2.19 2.06 0.00 1.60 1.01 -1.26 -1.56 120.40 120.05 2pga s VAL 4104Ca 0.45 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2pga s VAL 4104Cb -0.10 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2pga s VAL 4104CO 0.32 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2pga n GLY 4105N 1.83 2.19 3.71 4.51 0.00 -0.07 -4.99 105.19 112.37 2pga n GLY 4105Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2pga n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pga s ASP 4106N -1.66 3.62 -0.13 1.61 -0.00 -0.60 -4.69 116.67 114.82 2pga s ASP 4106Ca 0.00 1.77 0.01 0.00 -0.00 0.00 0.00 52.55 54.33 2pga s ASP 4106Cb 0.00 -2.40 -0.01 0.00 -0.00 0.00 0.00 42.92 40.51 2pga s ASP 4106CO 0.00 -2.59 -0.15 -0.69 -0.00 0.00 0.00 175.17 171.74 2pga s VAL 4107N -2.83 2.87 -0.18 -1.27 1.01 0.06 -1.22 120.40 118.83 2pga s VAL 4107Ca 0.63 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2pga s VAL 4107Cb -0.19 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 2pga s VAL 4107CO 0.57 0.53 -0.10 -0.76 0.00 0.00 0.00 175.10 175.34 2pga s LEU 4108N 0.37 2.70 -0.21 3.92 1.43 -0.17 -1.17 118.68 125.55 2pga s LEU 4108Ca -0.12 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 2pga s LEU 4108Cb -0.16 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2pga s LEU 4108CO 0.06 0.06 0.10 -0.69 0.23 0.00 0.00 176.35 176.11 2pga s VAL 4109N 1.00 5.04 -0.21 -1.59 1.01 0.00 -1.41 120.40 124.24 2pga s VAL 4109Ca -0.01 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 2pga s VAL 4109Cb -0.15 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2pga s VAL 4109CO -0.01 0.41 0.32 -0.89 0.00 0.00 0.00 175.10 174.93 2pga s THR 4110N 0.66 5.25 0.00 3.92 2.01 -0.45 -1.75 115.64 125.28 2pga s THR 4110Ca 0.06 0.54 0.05 0.00 0.31 0.00 0.00 61.69 62.65 2pga s THR 4110Cb -0.13 -3.66 -0.24 0.00 0.01 0.00 0.00 72.50 68.49 2pga s THR 4110CO 0.01 0.29 0.84 0.71 -0.69 0.00 0.00 174.62 175.78 2pga h THR 4111N 5.01 1.12 -2.07 -0.82 1.35 -1.42 -3.41 112.91 112.68 2pga h THR 4111Ca -0.37 -2.87 0.15 0.00 -0.55 0.00 0.00 66.41 62.77 2pga h THR 4111Cb 1.16 2.63 -0.16 0.00 -1.73 0.00 0.00 68.15 70.05 2pga h THR 4111CO 0.70 0.73 0.58 0.00 -0.25 0.00 0.00 175.52 177.28 2pga s ALA 4112N -2.63 -1.89 0.06 6.62 0.00 -1.26 -0.89 121.76 121.78 2pga s ALA 4112Ca -0.06 1.15 0.08 0.00 0.00 0.00 0.00 51.96 53.14 2pga s ALA 4112Cb 0.08 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2pga s ALA 4112CO 0.83 -0.67 -0.22 -1.12 0.00 0.00 0.00 175.76 174.58 2pga s SER 4113N -2.41 2.67 0.00 0.00 0.01 -0.20 -1.88 113.70 111.90 2pga s SER 4113Ca 0.06 -0.59 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 2pga s SER 4113Cb -0.01 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 2pga s SER 4113CO -0.08 0.16 1.38 -0.69 0.41 0.00 0.00 173.24 174.42 2pga s VAL 4114N -0.90 3.74 -1.18 3.43 1.01 0.20 -4.38 120.40 122.32 2pga s VAL 4114Ca 0.08 1.13 -0.16 0.00 0.00 0.00 0.00 61.98 63.03 2pga s VAL 4114Cb -0.09 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.69 2pga s VAL 4114CO 0.03 0.00 1.48 -0.13 0.00 0.00 0.00 175.10 176.48 2pga s ARG 4115N 2.32 3.96 -0.44 2.72 0.52 -1.26 -1.50 118.95 125.27 2pga s ARG 4115Ca 0.63 -2.19 0.03 0.00 -0.52 0.00 0.00 55.73 53.69 2pga s ARG 4115Cb -0.31 -5.20 0.62 0.00 0.52 0.00 0.00 34.95 30.58 2pga s ARG 4115CO 0.26 -1.94 1.89 1.28 0.02 0.00 0.00 175.30 176.81 2pga n LEU 4116N 6.80 6.64 -4.72 2.53 4.77 -0.25 -4.93 117.00 127.83 2pga n LEU 4116Ca 0.38 -3.55 -0.30 0.00 -0.03 0.00 0.00 56.01 52.51 2pga n LEU 4116Cb 0.45 -0.83 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 2pga n LEU 4116CO 0.65 1.05 -0.23 1.51 -1.33 0.00 0.00 177.39 179.04 2pga s ASP 4117N -1.22 4.12 -0.12 -1.43 3.84 -1.19 -1.29 116.67 119.39 2pga s ASP 4117Ca 0.55 -1.45 0.12 0.00 -0.00 0.00 0.00 52.55 51.77 2pga s ASP 4117Cb 0.46 0.06 -0.17 0.00 -1.38 0.00 0.00 42.92 41.89 2pga s ASP 4117CO 0.10 -0.69 0.08 0.61 -0.00 0.00 0.00 175.17 175.26 2pga n GLY 4118N -1.20 -0.64 0.21 2.12 0.00 -1.26 -4.69 105.19 99.73 2pga n GLY 4118Ca -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 2pga n GLY 4118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga h ALA 4119N 0.72 1.14 -0.59 4.61 0.00 -1.98 -2.40 119.26 120.76 2pga h ALA 4119Ca -0.31 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.30 2pga h ALA 4119Cb 1.66 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 2pga h ALA 4119CO 0.02 0.56 0.39 0.66 0.00 0.00 0.00 179.25 180.88 2pga h SER 4120N 0.26 0.41 0.60 0.00 4.64 -1.84 0.92 113.55 118.54 2pga h SER 4120Ca 0.03 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2pga h SER 4120Cb 0.75 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2pga h SER 4120CO 0.06 0.26 0.00 0.18 -0.87 0.00 0.00 176.83 176.45 2pga n LEU 4121N -4.47 0.55 -0.12 5.97 4.77 -0.90 -1.33 117.00 121.47 2pga n LEU 4121Ca 0.09 0.65 0.15 0.00 -0.03 0.00 0.00 56.01 56.86 2pga n LEU 4121Cb 0.32 -0.59 0.67 0.00 -2.33 0.00 0.00 43.42 41.49 2pga n LEU 4121CO 0.34 -0.56 0.93 1.41 -1.33 0.00 0.00 177.39 178.18 2pga n HIS 4122N -2.12 0.00 -0.01 -1.77 8.25 0.32 -4.04 115.22 115.84 2pga n HIS 4122Ca 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 2pga n HIS 4122Cb 0.20 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 2pga n HIS 4122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2pga n PHE 4123N -0.89 0.00 -3.59 4.41 3.01 -0.44 -5.09 117.46 114.88 2pga n PHE 4123Ca 0.16 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.46 2pga n PHE 4123Cb 0.25 -0.12 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 2pga n PHE 4123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pga s ALA 4124N -2.06 -1.49 1.02 4.37 0.00 -0.73 -5.00 121.76 117.87 2pga s ALA 4124Ca -0.02 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.89 2pga s ALA 4124Cb 0.01 -0.03 0.20 0.00 0.00 0.00 0.00 23.12 23.30 2pga s ALA 4124CO 0.09 -0.34 1.08 -1.25 0.00 0.00 0.00 175.76 175.34 2pga s PRO 4125N -1.16 0.26 0.54 0.00 0.04 -1.26 -3.99 135.00 129.42 2pga s PRO 4125Ca -0.11 0.67 0.21 0.00 0.04 0.00 0.00 61.00 61.82 2pga s PRO 4125Cb -0.02 -1.70 1.44 0.00 0.04 0.00 0.00 34.50 34.26 2pga s PRO 4125CO 0.08 -2.89 2.14 1.98 0.04 0.00 0.00 177.00 178.35 2pga h MET 4126N -2.01 0.00 0.00 4.56 4.05 -1.94 -1.94 114.93 117.66 2pga h MET 4126Ca -0.55 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.85 2pga h MET 4126Cb 1.32 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.12 2pga h MET 4126CO 0.55 0.00 -0.11 0.93 0.23 0.00 0.00 176.91 178.51 2pga h GLU 4127N 0.00 0.00 -6.74 0.39 3.07 -2.03 -3.43 114.58 105.84 2pga h GLU 4127Ca 0.05 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.39 2pga h GLU 4127Cb 0.21 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.16 2pga h GLU 4127CO -0.00 0.11 0.63 0.12 -1.40 0.00 0.00 179.01 178.47 2pga s PHE 4128N -4.41 3.24 0.09 4.33 2.19 -0.73 -4.98 117.98 117.71 2pga s PHE 4128Ca -0.04 1.31 -0.30 0.00 0.33 0.00 0.00 56.93 58.24 2pga s PHE 4128Cb 0.14 -3.59 -0.06 0.00 -1.31 0.00 0.00 43.02 38.21 2pga s PHE 4128CO 0.61 -1.74 1.03 -1.25 1.83 0.00 0.00 175.22 175.69 2pga s PRO 4129N -0.65 4.61 -1.21 10.12 0.04 -1.26 -4.93 135.00 141.72 2pga s PRO 4129Ca 0.54 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.95 2pga s PRO 4129Cb -0.37 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 2pga s PRO 4129CO 0.42 0.07 2.14 0.00 0.04 0.00 0.00 177.00 179.66 2pga n ALA 4130N 3.08 4.79 -2.84 8.56 0.00 -1.26 -4.73 120.51 128.10 2pga n ALA 4130Ca 0.04 -3.65 -0.37 0.00 0.00 0.00 0.00 53.44 49.47 2pga n ALA 4130Cb 0.49 -3.57 -0.07 0.00 0.00 0.00 0.00 19.45 16.30 2pga n ALA 4130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pga s VAL 4131N 3.82 5.34 0.68 0.00 0.11 -1.26 -1.03 120.40 128.06 2pga s VAL 4131Ca 0.51 0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 59.57 2pga s VAL 4131Cb 0.14 -3.33 0.01 0.00 -1.53 0.00 0.00 36.38 31.68 2pga s VAL 4131CO -0.01 0.60 1.10 0.00 -3.33 0.00 0.00 175.10 173.45 2pga s ALA 4132N -0.89 2.46 0.28 1.54 0.00 -0.07 -4.65 121.76 120.43 2pga s ALA 4132Ca 0.14 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 2pga s ALA 4132Cb -0.12 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2pga s ALA 4132CO 0.03 -1.34 1.30 0.34 0.00 0.00 0.00 175.76 176.09 2pga s ASP 4133N -2.86 6.86 0.17 0.00 -1.08 0.23 -4.94 116.67 115.04 2pga s ASP 4133Ca 0.65 2.55 -0.11 0.00 -0.52 0.00 0.00 52.55 55.12 2pga s ASP 4133Cb -0.19 -2.63 0.06 0.00 -1.46 0.00 0.00 42.92 38.70 2pga s ASP 4133CO 0.45 -0.50 1.67 0.15 0.52 0.00 0.00 175.17 177.46 2pga h PHE 4134N 4.19 1.02 -0.55 -5.34 3.57 -1.95 -1.13 116.94 116.76 2pga h PHE 4134Ca -0.47 -0.13 -0.11 0.00 3.53 0.00 0.00 57.97 60.78 2pga h PHE 4134Cb 1.22 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2pga h PHE 4134CO 0.58 0.88 -0.09 0.00 -2.23 0.00 0.00 178.31 177.45 2pga h ALA 4135N 1.02 0.80 -0.30 2.41 0.00 -1.96 -0.44 119.26 120.79 2pga h ALA 4135Ca 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2pga h ALA 4135Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pga h ALA 4135CO 0.01 0.67 0.08 0.00 0.00 0.00 0.00 179.25 180.00 2pga h THR 4137N 0.33 1.24 -0.42 0.00 2.02 -1.08 -1.10 112.91 113.90 2pga h THR 4137Ca 0.10 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 2pga h THR 4137Cb 0.29 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 2pga h THR 4137CO 0.00 0.28 0.18 0.74 0.37 0.00 0.00 175.52 177.09 2pga h THR 4138N 1.11 1.19 -0.76 3.16 2.02 -0.88 -1.42 112.91 117.33 2pga h THR 4138Ca 0.27 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2pga h THR 4138Cb 0.08 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2pga h THR 4138CO -0.04 0.21 0.44 0.00 0.37 0.00 0.00 175.52 176.51 2pga h ALA 4139N 1.02 1.34 -0.36 6.16 0.00 -0.62 0.22 119.26 127.03 2pga h ALA 4139Ca 0.14 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2pga h ALA 4139Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2pga h ALA 4139CO -0.01 0.56 -0.17 -0.07 0.00 0.00 0.00 179.25 179.55 2pga h LEU 4140N 1.06 0.77 -0.41 0.00 3.38 -0.89 0.26 115.31 119.48 2pga h LEU 4140Ca 0.27 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2pga h LEU 4140Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2pga h LEU 4140CO -0.05 1.00 0.04 0.58 0.09 0.00 0.00 178.44 180.11 2pga h VAL 4141N 0.54 1.25 -0.40 1.22 2.07 -0.90 -0.37 116.25 119.65 2pga h VAL 4141Ca 0.08 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2pga h VAL 4141Cb 0.71 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2pga h VAL 4141CO 0.05 0.32 0.10 -0.33 0.02 0.00 0.00 177.57 177.73 2pga h GLU 4142N 0.55 0.64 -0.72 1.57 4.39 -0.91 -2.60 114.58 117.50 2pga h GLU 4142Ca 0.12 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.70 2pga h GLU 4142Cb 0.41 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 2pga h GLU 4142CO 0.01 0.66 0.47 0.00 -1.16 0.00 0.00 179.01 178.99 2pga h ALA 4143N 0.96 1.57 -0.31 3.43 0.00 -0.34 -1.96 119.26 122.61 2pga h ALA 4143Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2pga h ALA 4143Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2pga h ALA 4143CO 0.00 0.36 -0.16 0.00 0.00 0.00 0.00 179.25 179.45 2pga h ALA 4144N 1.58 1.15 -0.22 0.00 0.00 -0.76 -0.39 119.26 120.63 2pga h ALA 4144Ca 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2pga h ALA 4144Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2pga h ALA 4144CO -0.08 0.53 0.06 0.87 0.00 0.00 0.00 179.25 180.64 2pga h LYS 4145N 0.49 0.35 -0.11 0.00 1.57 -1.03 0.08 116.57 117.93 2pga h LYS 4145Ca 0.08 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2pga h LYS 4145Cb 0.56 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2pga h LYS 4145CO 0.04 0.45 -0.01 1.03 -0.57 0.00 0.00 179.45 180.39 2pga h SER 4146N 0.18 -0.06 0.35 0.86 0.87 -0.92 -3.07 113.55 111.77 2pga h SER 4146Ca 0.07 0.03 -0.21 0.00 -1.23 0.00 0.00 61.79 60.45 2pga h SER 4146Cb 0.25 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2pga h SER 4146CO -0.00 -0.01 -0.85 0.40 -0.53 0.00 0.00 176.83 175.83 2pga h ILE 4147N 0.03 1.41 -1.48 2.23 1.08 -1.10 -3.49 117.51 116.18 2pga h ILE 4147Ca 0.05 -2.36 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 2pga h ILE 4147Cb 0.07 2.31 0.00 0.00 -3.07 0.00 0.00 36.82 36.13 2pga h ILE 4147CO -0.10 0.70 0.00 0.61 -0.69 0.00 0.00 178.15 178.68 2pga n GLY 4148N 0.79 -1.36 3.51 5.37 0.00 0.01 -5.09 105.19 108.42 2pga n GLY 4148Ca -0.05 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 2pga n GLY 4148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga s ALA 4149N 0.00 -1.77 -0.26 4.61 0.00 -1.21 -5.01 121.76 118.12 2pga s ALA 4149Ca 0.00 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 2pga s ALA 4149Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 2pga s ALA 4149CO 0.00 -0.47 1.40 0.99 0.00 0.00 0.00 175.76 177.69 2pga s THR 4150N -1.85 4.00 -0.06 0.00 2.01 -1.26 -4.89 115.64 113.58 2pga s THR 4150Ca -0.06 1.14 0.05 0.00 0.31 0.00 0.00 61.69 63.13 2pga s THR 4150Cb -0.00 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 2pga s THR 4150CO 0.02 -0.38 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.46 2pga s THR 4151N 4.55 1.85 -0.03 -0.82 2.01 -1.26 -0.76 115.64 121.18 2pga s THR 4151Ca 0.61 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.74 2pga s THR 4151Cb -0.20 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 2pga s THR 4151CO 0.24 0.52 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.45 2pga s HIS 4152N 0.01 2.18 -0.15 4.92 3.76 -0.32 -4.99 115.29 120.70 2pga s HIS 4152Ca -0.07 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.40 2pga s HIS 4152Cb -0.14 -1.41 0.01 0.00 1.11 0.00 0.00 32.58 32.16 2pga s HIS 4152CO 0.04 -0.07 -0.21 0.08 -0.85 0.00 0.00 174.74 173.74 2pga s VAL 4153N -0.48 2.01 -1.44 -0.90 1.01 -1.26 -0.82 120.40 118.53 2pga s VAL 4153Ca 0.07 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2pga s VAL 4153Cb -0.10 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2pga s VAL 4153CO -0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2pga n GLY 4154N 4.30 -0.60 3.83 4.51 0.00 -0.72 -4.96 105.19 111.55 2pga n GLY 4154Ca -0.20 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 2pga n GLY 4154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 4155N -3.34 4.72 -0.01 1.61 1.01 -1.26 -1.02 120.40 122.12 2pga s VAL 4155Ca 0.00 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.13 2pga s VAL 4155Cb 0.00 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2pga s VAL 4155CO 0.00 0.28 -0.24 -0.89 0.00 0.00 0.00 175.10 174.26 2pga s THR 4156N -1.43 1.87 -0.23 3.92 2.01 -0.78 -0.93 115.64 120.07 2pga s THR 4156Ca 0.38 -1.06 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 2pga s THR 4156Cb -0.16 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 2pga s THR 4156CO 0.20 0.48 0.47 0.00 -0.69 0.00 0.00 174.62 175.08 2pga s ALA 4157N -0.60 3.56 -0.33 7.40 0.00 0.30 0.60 121.76 132.69 2pga s ALA 4157Ca 0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 2pga s ALA 4157Cb -0.09 -2.77 0.05 0.00 0.00 0.00 0.00 23.12 20.31 2pga s ALA 4157CO -0.00 -0.51 0.07 0.45 0.00 0.00 0.00 175.76 175.77 2pga s SER 4158N 1.29 5.14 -0.09 0.00 0.15 -0.56 -1.51 113.70 118.12 2pga s SER 4158Ca 0.21 -1.28 -0.02 0.00 0.70 0.00 0.00 55.95 55.55 2pga s SER 4158Cb -0.15 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 2pga s SER 4158CO 0.09 -0.32 0.01 -0.55 1.20 0.00 0.00 173.24 173.67 2pga s SER 4159N 1.40 5.30 0.00 5.45 0.15 0.35 -1.09 113.70 125.26 2pga s SER 4159Ca -0.02 0.16 0.21 0.00 0.70 0.00 0.00 55.95 57.00 2pga s SER 4159Cb -0.20 -1.51 1.07 0.00 -1.71 0.00 0.00 66.02 63.67 2pga s SER 4159CO 0.01 0.38 1.68 0.47 1.20 0.00 0.00 173.24 176.97 2pga n ASP 4160N 2.15 0.00 -4.23 5.45 10.43 -0.41 -4.33 116.55 125.61 2pga n ASP 4160Ca -0.19 -0.02 -0.16 0.00 2.57 0.00 0.00 54.79 56.99 2pga n ASP 4160Cb 0.54 -0.28 -0.11 0.00 1.84 0.00 0.00 41.12 43.11 2pga n ASP 4160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pga s THR 4161N -2.57 1.21 0.03 -3.53 -4.23 -1.26 -5.02 115.64 100.28 2pga s THR 4161Ca 0.20 -1.76 0.07 0.00 -1.18 0.00 0.00 61.69 59.01 2pga s THR 4161Cb 0.14 -1.55 -0.23 0.00 1.34 0.00 0.00 72.50 72.20 2pga s THR 4161CO 0.32 -0.51 0.94 0.15 -0.54 0.00 0.00 174.62 174.98 2pga h PHE 4162N 3.39 0.10 0.00 3.99 3.04 -1.97 -3.38 116.94 122.11 2pga h PHE 4162Ca -0.39 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.49 2pga h PHE 4162Cb 1.19 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2pga h PHE 4162CO 0.65 1.09 0.00 0.66 -2.02 0.00 0.00 178.31 178.69 2pga n TYR 4163N -3.26 0.00 0.11 0.41 4.02 -1.26 -4.27 117.16 112.91 2pga n TYR 4163Ca -0.10 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.82 2pga n TYR 4163Cb 1.01 0.00 0.43 0.00 -0.02 0.00 0.00 39.34 40.76 2pga n TYR 4163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pga h PRO 4164N 0.00 0.29 0.00 -0.72 0.13 -1.88 -0.08 132.00 129.73 2pga h PRO 4164Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2pga h PRO 4164Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 2pga h PRO 4164CO 0.00 0.33 0.00 0.78 -0.23 0.00 0.00 178.00 178.88 2pga h GLY 4165N 0.59 0.00 -2.57 1.56 0.00 -1.85 -0.56 103.07 100.23 2pga h GLY 4165Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2pga h GLY 4165CO 0.01 0.00 0.03 -1.06 0.00 0.00 0.00 176.54 175.51 2pga n GLN 4166N -2.76 3.72 -4.08 4.80 6.02 -0.80 -4.92 117.38 119.36 2pga n GLN 4166Ca 0.02 -3.01 -0.27 0.00 -0.01 0.00 0.00 57.00 53.72 2pga n GLN 4166Cb 0.30 -2.05 -0.05 0.00 1.02 0.00 0.00 30.24 29.47 2pga n GLN 4166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2pga n GLU 4167N -0.07 -2.48 -3.25 -1.09 2.13 -0.22 -4.92 120.64 110.74 2pga n GLU 4167Ca 0.26 0.30 -0.39 0.00 0.66 0.00 0.00 57.16 57.99 2pga n GLU 4167Cb 1.07 -4.20 -0.06 0.00 0.27 0.00 0.00 31.44 28.52 2pga n GLU 4167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2pga s ARG 4168N -6.84 4.29 0.00 5.31 0.52 -0.11 -4.96 118.95 117.15 2pga s ARG 4168Ca 0.00 0.66 0.11 0.00 -0.52 0.00 0.00 55.73 55.99 2pga s ARG 4168Cb -0.00 -3.35 -0.09 0.00 0.52 0.00 0.00 34.95 32.03 2pga s ARG 4168CO 0.93 0.36 0.53 0.66 0.02 0.00 0.00 175.30 177.79 2pga n TYR 4169N 2.82 0.00 -0.60 -0.53 4.02 -1.26 -4.40 117.16 117.21 2pga n TYR 4169Ca -0.07 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.68 2pga n TYR 4169Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.79 2pga n TYR 4169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2pga n ASP 4170N -1.01 3.70 -4.26 7.72 10.43 -1.26 -4.44 116.55 127.43 2pga n ASP 4170Ca 0.03 -2.16 -0.20 0.00 2.57 0.00 0.00 54.79 55.02 2pga n ASP 4170Cb 0.19 -0.90 -0.10 0.00 1.84 0.00 0.00 41.12 42.15 2pga n ASP 4170CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pga s THR 4171N 2.86 0.72 0.19 -3.53 -4.23 -1.26 -5.04 115.64 105.36 2pga s THR 4171Ca 0.35 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 2pga s THR 4171Cb 0.12 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 71.46 2pga s THR 4171CO -0.02 0.00 1.75 0.22 -0.54 0.00 0.00 174.62 176.03 2pga h TYR 4172N 2.16 0.36 0.00 3.99 5.03 -1.99 -3.05 116.97 123.47 2pga h TYR 4172Ca -0.38 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 60.83 2pga h TYR 4172Cb 1.25 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.43 2pga h TYR 4172CO 0.79 0.12 -1.39 -1.13 -1.32 0.00 0.00 178.16 175.22 2pga n SER 4173N -4.99 0.79 -0.13 -2.11 3.41 -1.26 -4.94 113.62 104.40 2pga n SER 4173Ca 0.06 0.34 -0.02 0.00 -0.26 0.00 0.00 58.87 58.99 2pga n SER 4173Cb 0.22 0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 2pga n SER 4173CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pga n GLY 4174N 1.36 0.23 3.80 5.00 0.00 -1.16 -4.98 105.19 109.45 2pga n GLY 4174Ca -0.08 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2pga n GLY 4174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pga s ARG 4175N -1.88 3.84 -0.14 1.61 3.52 -1.26 -4.97 118.95 119.67 2pga s ARG 4175Ca 0.00 -0.13 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 2pga s ARG 4175Cb 0.00 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 30.09 2pga s ARG 4175CO 0.00 0.53 -0.21 0.08 -0.81 0.00 0.00 175.30 174.89 2pga s VAL 4176N -0.33 2.18 0.66 7.11 1.01 -1.26 -4.90 120.40 124.86 2pga s VAL 4176Ca 0.12 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 2pga s VAL 4176Cb -0.12 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2pga s VAL 4176CO 0.02 0.54 1.22 0.55 0.00 0.00 0.00 175.10 177.43 2pga n VAL 4177N 4.00 4.50 -0.33 2.92 3.14 -1.26 -4.48 118.33 126.82 2pga n VAL 4177Ca -0.20 -0.48 0.09 0.00 -2.96 0.00 0.00 64.34 60.80 2pga n VAL 4177Cb 0.52 -1.40 0.21 0.00 -1.06 0.00 0.00 33.84 32.11 2pga n VAL 4177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2pga h ARG 4178N 0.38 0.02 -0.85 1.45 2.43 -2.00 0.12 114.38 115.94 2pga h ARG 4178Ca -0.50 -0.00 0.17 0.00 -0.81 0.00 0.00 59.98 58.84 2pga h ARG 4178Cb 1.34 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.82 2pga h ARG 4178CO 0.52 0.01 0.56 -0.09 -1.51 0.00 0.00 179.97 179.46 2pga h ARG 4179N 0.02 0.46 -0.00 0.20 2.43 -2.01 -2.51 114.38 112.96 2pga h ARG 4179Ca 0.51 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 2pga h ARG 4179Cb 0.94 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2pga h ARG 4179CO -0.90 0.30 -0.65 1.19 -1.51 0.00 0.00 179.97 178.40 2pga n PHE 4180N -4.51 0.00 -1.76 2.20 3.01 0.33 -4.77 117.46 111.95 2pga n PHE 4180Ca 0.17 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.21 2pga n PHE 4180Cb 0.59 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.03 2pga n PHE 4180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2pga s LYS 4181N -2.39 4.15 0.00 -1.08 1.02 -0.70 -1.74 119.74 119.01 2pga s LYS 4181Ca 0.09 2.52 0.00 0.00 0.02 0.00 0.00 55.97 58.60 2pga s LYS 4181Cb 0.13 -3.78 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2pga s LYS 4181CO 0.60 -0.85 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 2pga n GLY 4182N 4.27 0.70 0.22 -3.33 0.00 -1.26 -4.93 105.19 100.86 2pga n GLY 4182Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2pga n GLY 4182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pga h SER 4183N 0.00 0.78 -0.54 1.61 4.64 -1.64 -2.85 113.55 115.56 2pga h SER 4183Ca 0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2pga h SER 4183Cb 0.03 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 2pga h SER 4183CO 0.00 1.20 0.35 -0.03 -0.87 0.00 0.00 176.83 177.48 2pga h MET 4184N 0.52 0.72 -0.16 4.77 -1.53 -1.92 0.46 114.93 117.79 2pga h MET 4184Ca -0.00 -0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.17 2pga h MET 4184Cb 1.18 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 32.06 2pga h MET 4184CO 0.12 0.49 -0.10 0.93 0.14 0.00 0.00 176.91 178.49 2pga h GLU 4185N 0.73 0.25 -0.12 0.39 5.08 -1.96 0.02 114.58 118.97 2pga h GLU 4185Ca 0.20 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2pga h GLU 4185Cb -0.07 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2pga h GLU 4185CO -0.04 0.36 0.02 0.93 -1.00 0.00 0.00 179.01 179.28 2pga h GLU 4186N 0.24 0.21 -0.59 2.33 5.08 -0.97 -1.73 114.58 119.16 2pga h GLU 4186Ca 0.05 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2pga h GLU 4186Cb 0.33 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2pga h GLU 4186CO 0.02 0.41 0.19 -1.49 -1.00 0.00 0.00 179.01 177.13 2pga h TRP 4187N -0.02 0.89 -0.17 4.33 -0.00 -0.55 -1.96 115.95 118.47 2pga h TRP 4187Ca 0.04 -0.07 0.02 0.00 -0.00 0.00 0.00 58.89 58.88 2pga h TRP 4187Cb 0.30 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 29.17 2pga h TRP 4187CO 0.02 0.72 0.04 1.96 -0.00 0.00 0.00 178.44 181.18 2pga h GLN 4188N 0.86 0.12 0.00 0.49 4.20 -0.91 -0.77 115.11 119.09 2pga h GLN 4188Ca 0.20 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 2pga h GLN 4188Cb 0.23 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2pga h GLN 4188CO -0.01 0.08 -0.18 0.00 -0.67 0.00 0.00 178.83 178.04 2pga h ALA 4189N 1.11 1.55 -0.09 3.87 0.00 -0.93 -1.33 119.26 123.43 2pga h ALA 4189Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pga h ALA 4189Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pga h ALA 4189CO -0.09 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 178.06 2pga n MET 4190N -4.10 1.41 -0.75 0.00 2.81 -0.77 -4.91 117.12 110.80 2pga n MET 4190Ca -0.02 -0.62 0.00 0.00 -1.81 0.00 0.00 57.70 55.25 2pga n MET 4190Cb 0.26 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 2pga n MET 4190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pga n GLY 4191N 0.98 0.63 3.75 3.03 0.00 -0.50 -5.01 105.19 108.06 2pga n GLY 4191Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2pga n GLY 4191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 4192N -2.02 2.46 0.02 1.61 1.01 -0.35 -4.64 120.40 118.49 2pga s VAL 4192Ca 0.00 0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 2pga s VAL 4192Cb 0.00 -3.25 -0.35 0.00 0.00 0.00 0.00 36.38 32.79 2pga s VAL 4192CO 0.00 0.06 0.96 0.24 0.00 0.00 0.00 175.10 176.37 2pga h MET 4193N 4.81 0.51 -2.61 2.72 0.00 -1.36 -3.41 114.93 115.59 2pga h MET 4193Ca -0.47 -0.86 0.11 0.00 0.00 0.00 0.00 59.70 58.48 2pga h MET 4193Cb 1.22 0.32 -0.09 0.00 0.00 0.00 0.00 31.60 33.05 2pga h MET 4193CO 0.77 1.41 0.38 0.54 0.00 0.00 0.00 176.91 180.01 2pga s ASN 4194N -7.52 -0.29 -0.06 1.22 4.22 -1.26 -0.64 114.94 110.61 2pga s ASN 4194Ca -0.10 -0.33 0.01 0.00 -2.14 0.00 0.00 52.86 50.30 2pga s ASN 4194Cb 0.04 0.55 -0.03 0.00 1.28 0.00 0.00 41.25 43.10 2pga s ASN 4194CO 0.93 -0.98 -0.06 -0.31 -2.04 0.00 0.00 177.10 174.64 2pga s TYR 4195N -3.50 2.96 0.00 1.54 2.02 -0.58 -0.54 117.35 119.25 2pga s TYR 4195Ca 0.09 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 2pga s TYR 4195Cb -0.03 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 2pga s TYR 4195CO -0.01 0.36 0.00 -0.85 -1.57 0.00 0.00 175.55 173.48 2pga n GLU 4196N 2.11 0.00 0.00 -0.62 -0.00 -0.57 -3.10 120.64 118.46 2pga n GLU 4196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2pga n GLU 4196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2pga n GLU 4196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2pga n MET 4197N 0.00 0.88 0.00 3.44 2.81 -1.26 -0.49 117.12 122.49 2pga n MET 4197Ca 0.00 -0.77 0.00 0.00 -1.81 0.00 0.00 57.70 55.12 2pga n MET 4197Cb 0.00 -0.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 2pga n MET 4197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2pga n GLU 4198N -0.15 2.51 -0.13 0.03 4.71 -1.26 -3.29 120.64 123.05 2pga n GLU 4198Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 2pga n GLU 4198Cb 0.38 -0.76 0.20 0.00 -1.01 0.00 0.00 31.44 30.26 2pga n GLU 4198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2pga h SER 4199N 0.00 0.77 -0.48 1.62 4.64 -1.94 -1.31 113.55 116.85 2pga h SER 4199Ca 0.00 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2pga h SER 4199Cb 0.25 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2pga h SER 4199CO 0.00 0.75 0.26 0.00 -0.87 0.00 0.00 176.83 176.97 2pga h ALA 4200N 1.35 0.61 0.13 5.18 0.00 -1.86 0.26 119.26 124.93 2pga h ALA 4200Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2pga h ALA 4200Cb 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2pga h ALA 4200CO -0.00 0.14 -0.06 1.15 0.00 0.00 0.00 179.25 180.47 2pga h THR 4201N 0.63 0.98 0.28 0.00 2.02 -1.86 -1.86 112.91 113.09 2pga h THR 4201Ca 0.17 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2pga h THR 4201Cb 0.06 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2pga h THR 4201CO -0.03 0.11 -0.26 0.25 0.37 0.00 0.00 175.52 175.96 2pga h LEU 4202N -0.38 -0.68 -0.69 2.58 5.85 -1.03 0.01 115.31 120.96 2pga h LEU 4202Ca -0.02 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2pga h LEU 4202Cb 0.31 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2pga h LEU 4202CO 0.03 -0.38 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.63 2pga h LEU 4203N -0.56 0.95 -0.20 2.25 3.38 -0.54 -1.60 115.31 118.99 2pga h LEU 4203Ca -0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2pga h LEU 4203Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2pga h LEU 4203CO -0.04 1.03 -0.09 0.74 0.09 0.00 0.00 178.44 180.17 2pga h THR 4204N 0.87 1.30 -0.07 0.22 2.02 -1.20 -0.38 112.91 115.68 2pga h THR 4204Ca 0.15 -1.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.12 2pga h THR 4204Cb 0.58 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 2pga h THR 4204CO 0.04 0.34 -0.33 0.00 0.37 0.00 0.00 175.52 175.93 2pga h MET 4205N 0.10 0.13 0.01 6.66 -0.00 -0.87 -2.24 114.93 118.72 2pga h MET 4205Ca 0.04 -0.05 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 2pga h MET 4205Cb 0.57 -0.01 0.01 0.00 -0.00 0.00 0.00 31.60 32.16 2pga h MET 4205CO 0.03 0.45 -0.23 0.00 -0.00 0.00 0.00 176.91 177.16 2pga h ALA 4207N 0.18 1.34 -0.49 0.00 0.00 -1.01 -1.39 119.26 117.89 2pga h ALA 4207Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pga h ALA 4207Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2pga h ALA 4207CO 0.04 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 2pga n SER 4208N -3.67 3.56 -0.23 0.00 3.41 -0.85 -4.28 113.62 111.55 2pga n SER 4208Ca -0.02 -1.99 0.01 0.00 -0.26 0.00 0.00 58.87 56.60 2pga n SER 4208Cb 0.18 -0.32 0.01 0.00 -0.26 0.00 0.00 64.21 63.82 2pga n SER 4208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pga n GLN 4209N 1.51 0.28 -2.02 4.33 6.02 -0.70 -5.01 117.38 121.80 2pga n GLN 4209Ca 0.21 -0.94 -0.11 0.00 -0.01 0.00 0.00 57.00 56.15 2pga n GLN 4209Cb 0.60 -0.60 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 2pga n GLN 4209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pga n GLY 4210N -0.13 0.20 3.68 1.08 0.00 -0.97 -5.03 105.19 104.01 2pga n GLY 4210Ca 0.01 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 2pga n GLY 4210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 4211N -3.02 3.47 -0.07 0.99 1.43 -0.61 -5.06 118.68 115.82 2pga s LEU 4211Ca 0.00 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.87 2pga s LEU 4211Cb 0.00 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 2pga s LEU 4211CO 0.00 0.25 0.43 -0.13 0.23 0.00 0.00 176.35 177.12 2pga s ARG 4212N -1.77 4.14 0.01 1.70 0.52 -0.05 -3.97 118.95 119.54 2pga s ARG 4212Ca 0.21 0.40 0.01 0.00 -0.52 0.00 0.00 55.73 55.82 2pga s ARG 4212Cb -0.12 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 2pga s ARG 4212CO 0.13 0.42 -0.03 0.00 0.02 0.00 0.00 175.30 175.83 2pga s ALA 4213N -0.20 0.19 0.15 2.13 0.00 -1.26 -0.50 121.76 122.26 2pga s ALA 4213Ca 0.24 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.86 2pga s ALA 4213Cb -0.16 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2pga s ALA 4213CO 0.11 -0.04 -0.00 0.20 0.00 0.00 0.00 175.76 176.03 2pga s GLY 4214N -0.76 1.06 -0.09 0.00 0.00 -0.36 -0.60 107.32 106.57 2pga s GLY 4214Ca -0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 44.72 43.11 2pga s GLY 4214CO -0.00 -1.48 0.17 -0.29 0.00 0.00 0.00 173.10 171.50 2pga s MET 4215N -3.92 0.04 0.04 2.90 1.75 -1.26 -1.13 119.30 117.71 2pga s MET 4215Ca 0.21 0.56 0.02 0.00 -1.25 0.00 0.00 55.69 55.23 2pga s MET 4215Cb 0.06 -0.25 -0.02 0.00 2.84 0.00 0.00 34.83 37.46 2pga s MET 4215CO 0.01 -0.30 -0.08 0.54 -0.65 0.00 0.00 175.02 174.55 2pga s VAL 4216N 2.21 0.55 0.01 10.11 0.11 -0.66 -1.35 120.40 131.39 2pga s VAL 4216Ca 0.02 -0.99 -0.17 0.00 -2.93 0.00 0.00 61.98 57.92 2pga s VAL 4216Cb -0.12 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.17 2pga s VAL 4216CO -0.06 -0.32 0.36 0.00 -3.33 0.00 0.00 175.10 171.76 2pga s ALA 4217N -1.23 -0.89 -0.12 1.54 0.00 -0.50 -1.68 121.76 118.89 2pga s ALA 4217Ca -0.08 0.33 -0.09 0.00 0.00 0.00 0.00 51.96 52.12 2pga s ALA 4217Cb -0.09 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2pga s ALA 4217CO 0.00 -0.35 0.18 0.20 0.00 0.00 0.00 175.76 175.79 2pga s GLY 4218N -1.65 2.18 -0.26 0.00 0.00 -0.64 -1.00 107.32 105.95 2pga s GLY 4218Ca -0.09 -0.59 -0.29 0.00 0.00 0.00 0.00 44.72 43.74 2pga s GLY 4218CO 0.01 -0.21 1.24 0.14 0.00 0.00 0.00 173.10 174.28 2pga s VAL 4219N -0.78 4.26 -1.70 1.40 1.01 -0.36 -2.05 120.40 122.19 2pga s VAL 4219Ca 0.15 1.47 0.18 0.00 0.00 0.00 0.00 61.98 63.78 2pga s VAL 4219Cb -0.12 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.12 2pga s VAL 4219CO 0.04 -0.35 0.93 2.30 0.00 0.00 0.00 175.10 178.02 2pga n ILE 4220N 5.86 0.00 -3.57 2.22 -5.35 0.03 -0.89 119.36 117.66 2pga n ILE 4220Ca 0.14 -0.34 -0.12 0.00 -0.27 0.00 0.00 62.75 62.16 2pga n ILE 4220Cb 0.46 1.23 -0.05 0.00 -1.74 0.00 0.00 39.64 39.54 2pga n ILE 4220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2pga s VAL 4221N -1.96 0.00 -0.24 7.28 0.11 -1.23 -4.99 120.40 119.37 2pga s VAL 4221Ca 0.15 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.18 2pga s VAL 4221Cb 0.14 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 34.01 2pga s VAL 4221CO 0.41 0.00 -0.07 0.21 -3.33 0.00 0.00 175.10 172.33 2pga s ASN 4222N -1.05 4.20 0.50 3.54 3.84 -1.26 -0.59 114.94 124.12 2pga s ASN 4222Ca -0.03 -0.72 0.26 0.00 0.21 0.00 0.00 52.86 52.57 2pga s ASN 4222Cb -0.01 -1.67 1.34 0.00 -0.55 0.00 0.00 41.25 40.36 2pga s ASN 4222CO 0.02 -0.09 2.03 0.03 -2.79 0.00 0.00 177.10 176.31 2pga h ARG 4223N 8.04 0.00 0.00 0.43 2.47 -0.44 -0.03 114.38 124.85 2pga h ARG 4223Ca -0.36 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 2pga h ARG 4223Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2pga h ARG 4223CO 0.59 0.15 0.00 0.25 0.56 0.00 0.00 179.97 181.52 2pga n THR 4224N -3.67 0.22 0.00 2.04 -2.24 -1.26 -3.57 114.28 105.80 2pga n THR 4224Ca -0.02 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2pga n THR 4224Cb 0.27 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2pga n THR 4224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pga n GLN 4225N -1.15 0.00 -4.04 -0.78 6.02 -0.38 -5.07 117.38 111.98 2pga n GLN 4225Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.01 2pga n GLN 4225Cb 0.11 -0.68 -0.07 0.00 1.02 0.00 0.00 30.24 30.62 2pga n GLN 4225CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2pga s GLN 4226N -1.97 1.35 -0.70 -1.09 0.00 -0.16 -5.08 119.66 112.00 2pga s GLN 4226Ca 0.00 -1.32 -0.00 0.00 -0.00 0.00 0.00 55.36 54.04 2pga s GLN 4226Cb 0.00 0.39 0.39 0.00 0.00 0.00 0.00 33.01 33.79 2pga s GLN 4226CO 0.00 -0.52 1.81 -1.91 0.00 0.00 0.00 175.29 174.67 2pga n GLU 4227N -0.31 2.92 0.00 9.60 2.13 -1.26 -3.28 120.64 130.44 2pga n GLU 4227Ca -0.02 -3.70 0.07 0.00 0.66 0.00 0.00 57.16 54.17 2pga n GLU 4227Cb 0.63 -2.27 0.05 0.00 0.27 0.00 0.00 31.44 30.12 2pga n GLU 4227CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2pga n SER 4239N -0.61 2.08 -0.37 4.31 2.88 -1.26 -5.03 113.62 115.62 2pga n SER 4239Ca 0.52 -1.54 -0.01 0.00 -1.33 0.00 0.00 58.87 56.52 2pga n SER 4239Cb 0.44 0.12 0.13 0.00 -0.75 0.00 0.00 64.21 64.15 2pga n SER 4239CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2pga h HIS 4240N 2.64 1.21 -0.71 0.66 3.86 -1.95 -2.83 115.15 118.04 2pga h HIS 4240Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2pga h HIS 4240Cb 0.60 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 2pga h HIS 4240CO 0.00 0.72 0.35 0.00 0.86 0.00 0.00 177.93 179.86 2pga h ALA 4241N 1.39 0.91 -0.55 2.45 0.00 -1.93 0.97 119.26 122.50 2pga h ALA 4241Ca 0.38 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2pga h ALA 4241Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2pga h ALA 4241CO -0.11 0.46 -0.04 0.28 0.00 0.00 0.00 179.25 179.84 2pga h VAL 4242N 0.99 1.27 -0.54 0.00 2.07 -1.91 0.22 116.25 118.34 2pga h VAL 4242Ca 0.25 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 2pga h VAL 4242Cb 0.10 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2pga h VAL 4242CO -0.03 0.42 -0.01 0.11 0.02 0.00 0.00 177.57 178.08 2pga h LYS 4243N 0.87 0.93 -0.36 1.57 1.57 -1.30 -2.50 116.57 117.35 2pga h LYS 4243Ca 0.15 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2pga h LYS 4243Cb 0.59 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2pga h LYS 4243CO 0.04 0.93 0.11 0.82 -0.57 0.00 0.00 179.45 180.77 2pga h ILE 4244N 0.86 1.21 -0.13 1.86 2.04 -0.43 -1.04 117.51 121.88 2pga h ILE 4244Ca 0.16 -0.68 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 2pga h ILE 4244Cb 0.52 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2pga h ILE 4244CO 0.03 0.24 -0.33 1.62 0.00 0.00 0.00 178.15 179.70 2pga h VAL 4245N 0.43 1.27 -0.18 1.67 3.04 -0.86 0.93 116.25 122.55 2pga h VAL 4245Ca 0.12 -1.31 -0.06 0.00 -1.01 0.00 0.00 66.70 64.43 2pga h VAL 4245Cb 0.25 1.54 -0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2pga h VAL 4245CO -0.00 0.40 -0.12 0.58 -1.01 0.00 0.00 177.57 177.41 2pga h VAL 4246N 0.22 1.32 -0.72 1.51 2.07 -1.29 -1.32 116.25 118.04 2pga h VAL 4246Ca 0.03 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2pga h VAL 4246Cb 0.69 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 2pga h VAL 4246CO 0.05 0.37 0.29 -0.08 0.02 0.00 0.00 177.57 178.22 2pga h GLU 4247N 0.07 1.07 -0.57 1.57 4.57 -0.89 -2.25 114.58 118.14 2pga h GLU 4247Ca 0.04 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2pga h GLU 4247Cb 0.63 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 2pga h GLU 4247CO 0.03 0.86 0.29 0.00 -1.18 0.00 0.00 179.01 179.02 2pga h ALA 4248N 1.27 0.73 -0.97 2.92 0.00 -0.76 -2.60 119.26 119.85 2pga h ALA 4248Ca 0.24 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2pga h ALA 4248Cb 0.20 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2pga h ALA 4248CO -0.02 0.27 0.61 0.00 0.00 0.00 0.00 179.25 180.11 2pga h ALA 4249N 1.12 1.42 -0.97 0.00 0.00 -0.75 -0.85 119.26 119.25 2pga h ALA 4249Ca 0.20 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2pga h ALA 4249Cb 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2pga h ALA 4249CO -0.03 0.25 0.63 0.00 0.00 0.00 0.00 179.25 180.11 2pga h ARG 4250N 1.00 1.17 0.00 0.00 3.08 -1.03 -0.82 114.38 117.78 2pga h ARG 4250Ca 0.46 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.44 2pga h ARG 4250Cb 0.40 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2pga h ARG 4250CO -0.24 0.78 0.00 0.54 -1.07 0.00 0.00 179.97 179.97 2pga n ARG 4251N -4.45 0.02 0.00 0.04 1.74 -0.35 -3.48 116.66 110.19 2pga n ARG 4251Ca 0.13 0.22 0.05 0.00 -0.77 0.00 0.00 57.85 57.48 2pga n ARG 4251Cb 0.11 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.02 2pga n ARG 4251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pga n LEU 4252N -1.58 1.36 0.00 0.55 4.77 -0.33 -5.05 117.00 116.71 2pga n LEU 4252Ca 0.04 -0.84 0.11 0.00 -0.03 0.00 0.00 56.01 55.29 2pga n LEU 4252Cb 0.21 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.97 2pga n LEU 4252CO 0.17 0.27 0.86 0.18 -1.33 0.00 0.00 177.39 177.54