#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddo s SER 4004N 0.00 -0.63 0.03 4.39 0.15 -1.26 -4.52 113.70 111.86 3ddo s SER 4004Ca 0.00 1.12 0.27 0.00 0.70 0.00 0.00 55.95 58.03 3ddo s SER 4004Cb 0.00 1.07 0.81 0.00 -1.71 0.00 0.00 66.02 66.18 3ddo s SER 4004CO 0.00 -0.20 1.64 0.47 1.20 0.00 0.00 173.24 176.35 3ddo n ASP 4005N 3.51 0.34 -4.25 5.45 8.00 0.13 -4.91 116.55 124.82 3ddo n ASP 4005Ca -0.18 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.34 3ddo n ASP 4005Cb 0.56 -0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 41.43 3ddo n ASP 4005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3ddo s VAL 4006N -3.03 1.08 0.15 2.53 -7.23 -1.24 -5.05 120.40 107.61 3ddo s VAL 4006Ca 0.12 -2.04 -0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3ddo s VAL 4006Cb 0.17 -1.90 -0.16 0.00 0.56 0.00 0.00 36.38 35.05 3ddo s VAL 4006CO 0.63 -0.70 1.35 0.15 -0.31 0.00 0.00 175.10 176.22 3ddo h PHE 4007N 2.76 0.43 0.00 2.82 3.57 -1.95 -3.39 116.94 121.18 3ddo h PHE 4007Ca -0.37 -0.23 -0.21 0.00 3.53 0.00 0.00 57.97 60.69 3ddo h PHE 4007Cb 1.19 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 3ddo h PHE 4007CO 0.63 1.05 -1.80 0.72 -2.23 0.00 0.00 178.31 176.68 3ddo n HIS 4008N -3.70 0.00 0.21 0.41 8.25 -1.26 -4.75 115.22 114.39 3ddo n HIS 4008Ca -0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.52 3ddo n HIS 4008Cb 0.82 -0.54 0.26 0.00 1.12 0.00 0.00 29.99 31.64 3ddo n HIS 4008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ddo h LEU 4009N 0.00 0.00 0.11 2.41 3.38 -1.93 -3.44 115.31 115.84 3ddo h LEU 4009Ca -0.31 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.45 3ddo h LEU 4009Cb 1.52 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.30 3ddo h LEU 4009CO -0.04 0.14 -0.31 0.61 0.09 0.00 0.00 178.44 178.93 3ddo n GLY 4010N 0.84 0.09 3.35 0.83 0.00 -1.26 -4.74 105.19 104.30 3ddo n GLY 4010Ca 0.03 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 3ddo n GLY 4010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddo s LEU 4011N -3.64 2.45 0.33 0.99 1.43 -1.26 -4.82 118.68 114.15 3ddo s LEU 4011Ca 0.17 -0.87 0.10 0.00 -1.03 0.00 0.00 54.13 52.49 3ddo s LEU 4011Cb -0.07 -0.88 -0.06 0.00 0.03 0.00 0.00 46.19 45.20 3ddo s LEU 4011CO 0.21 -0.01 -0.11 0.42 0.23 0.00 0.00 176.35 177.08 3ddo s THR 4012N -2.03 2.24 0.32 5.49 -4.23 -1.26 -0.69 115.64 115.47 3ddo s THR 4012Ca 0.17 -2.24 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3ddo s THR 4012Cb -0.06 -2.57 0.27 0.00 1.34 0.00 0.00 72.50 71.48 3ddo s THR 4012CO 0.07 -0.24 1.95 0.11 -0.54 0.00 0.00 174.62 175.97 3ddo h LYS 4013N 2.08 0.96 -0.72 3.99 1.57 -1.96 -0.91 116.57 121.59 3ddo h LYS 4013Ca -0.42 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 3ddo h LYS 4013Cb 1.25 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 3ddo h LYS 4013CO 0.68 0.64 0.47 -0.97 -0.57 0.00 0.00 179.45 179.70 3ddo h ASN 4014N 0.99 0.68 -0.14 0.86 -0.00 -1.96 -1.21 115.58 114.80 3ddo h ASN 4014Ca 0.32 0.00 0.04 0.00 -0.00 0.00 0.00 56.30 56.66 3ddo h ASN 4014Cb 0.05 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.22 3ddo h ASN 4014CO -0.10 0.44 0.11 0.44 -0.00 0.00 0.00 177.43 178.33 3ddo h ASP 4015N 0.77 0.00 1.80 1.15 3.32 -1.56 -2.08 116.42 119.83 3ddo h ASP 4015Ca 0.30 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 3ddo h ASP 4015Cb 0.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3ddo h ASP 4015CO -0.10 0.00 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.35 3ddo h LEU 4016N 0.00 0.00 -0.95 1.55 4.07 -1.21 -3.48 115.31 115.30 3ddo h LEU 4016Ca 0.07 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.51 3ddo h LEU 4016Cb 0.28 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.88 3ddo h LEU 4016CO -0.00 0.00 -0.79 0.00 -1.08 0.00 0.00 178.44 176.57 3ddo n GLN 4017N -3.10 -4.01 -0.62 1.13 1.13 -0.78 -0.87 117.38 110.25 3ddo n GLN 4017Ca 0.03 0.46 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 3ddo n GLN 4017Cb 0.49 -5.25 0.00 0.00 0.11 0.00 0.00 30.24 25.58 3ddo n GLN 4017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ddo n GLY 4018N -1.48 0.81 3.66 1.08 0.00 -1.26 -4.67 105.19 103.32 3ddo n GLY 4018Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 3ddo n GLY 4018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddo n ALA 4019N -0.14 0.76 -0.33 4.61 0.00 -0.05 -4.91 120.51 120.45 3ddo n ALA 4019Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3ddo n ALA 4019Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.27 3ddo n ALA 4019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ddo n GLN 4020N 0.83 -0.57 -4.87 0.00 6.02 -1.26 -4.42 117.38 113.11 3ddo n GLN 4020Ca 0.07 -0.37 -0.27 0.00 -0.01 0.00 0.00 57.00 56.43 3ddo n GLN 4020Cb 0.34 -0.83 -0.16 0.00 1.02 0.00 0.00 30.24 30.60 3ddo n GLN 4020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3ddo s LEU 4021N -0.03 1.92 -0.04 1.08 0.20 -1.26 -0.66 118.68 119.90 3ddo s LEU 4021Ca 0.00 -0.37 0.06 0.00 0.69 0.00 0.00 54.13 54.51 3ddo s LEU 4021Cb 0.00 -1.01 -0.01 0.00 -0.43 0.00 0.00 46.19 44.74 3ddo s LEU 4021CO 0.00 0.15 -0.23 0.00 -0.29 0.00 0.00 176.35 175.98 3ddo s ALA 4022N 0.08 1.97 -0.19 5.97 0.00 0.05 -1.86 121.76 127.78 3ddo s ALA 4022Ca -0.05 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 3ddo s ALA 4022Cb -0.12 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 3ddo s ALA 4022CO 0.03 0.43 0.30 0.42 0.00 0.00 0.00 175.76 176.94 3ddo s ILE 4023N -0.32 5.28 -0.51 0.00 1.01 0.11 -1.05 121.20 125.72 3ddo s ILE 4023Ca 0.03 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.25 3ddo s ILE 4023Cb -0.11 -3.64 0.14 0.00 0.01 0.00 0.00 42.46 38.85 3ddo s ILE 4023CO 0.01 0.33 0.27 0.68 0.00 0.00 0.00 174.94 176.24 3ddo s VAL 4024N 0.87 2.19 0.73 2.92 -7.23 0.46 -1.42 120.40 118.93 3ddo s VAL 4024Ca 0.16 -3.15 -0.11 0.00 -1.81 0.00 0.00 61.98 57.06 3ddo s VAL 4024Cb -0.14 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.32 3ddo s VAL 4024CO 0.05 -0.86 1.09 -2.16 -0.31 0.00 0.00 175.10 172.92 3ddo s PRO 4025N -0.18 2.64 0.06 4.82 0.04 -1.24 -3.39 135.00 137.74 3ddo s PRO 4025Ca 0.18 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 3ddo s PRO 4025Cb -0.23 -1.99 -0.29 0.00 0.04 0.00 0.00 34.50 32.03 3ddo s PRO 4025CO -0.02 -1.22 1.10 0.78 0.04 0.00 0.00 177.00 177.69 3ddo h GLY 4026N -0.79 0.56 -6.31 0.56 0.00 -1.84 -0.93 103.07 94.32 3ddo h GLY 4026Ca -0.45 -1.28 -0.60 0.00 0.00 0.00 0.00 47.33 44.99 3ddo h GLY 4026CO 0.61 1.13 0.01 -0.35 0.00 0.00 0.00 176.54 177.95 3ddo s ASP 4027N -7.38 6.56 0.47 0.19 -1.08 -1.26 -1.27 116.67 112.90 3ddo s ASP 4027Ca -0.08 0.68 0.22 0.00 -0.52 0.00 0.00 52.55 52.85 3ddo s ASP 4027Cb 0.06 -2.30 1.24 0.00 -1.46 0.00 0.00 42.92 40.45 3ddo s ASP 4027CO 0.92 -0.24 1.91 -0.65 0.52 0.00 0.00 175.17 177.63 3ddo h PRO 4028N 7.61 0.22 0.00 4.34 0.11 -1.88 -0.91 132.00 141.49 3ddo h PRO 4028Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ddo h PRO 4028Cb 1.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ddo h PRO 4028CO 0.74 0.14 0.00 0.93 -0.21 0.00 0.00 178.00 179.61 3ddo h GLU 4029N 0.23 0.00 0.00 1.05 5.08 -1.96 -2.83 114.58 116.14 3ddo h GLU 4029Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3ddo h GLU 4029Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ddo h GLU 4029CO -0.09 0.00 -0.43 -2.13 -1.00 0.00 0.00 179.01 175.36 3ddo n ARG 4030N -2.56 0.26 0.11 2.33 0.63 -0.35 -4.27 116.66 112.82 3ddo n ARG 4030Ca 0.02 0.11 -0.13 0.00 -0.92 0.00 0.00 57.85 56.93 3ddo n ARG 4030Cb 0.31 -1.70 -0.07 0.00 0.45 0.00 0.00 32.46 31.44 3ddo n ARG 4030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3ddo h VAL 4031N 0.00 0.86 -0.82 5.15 2.07 -1.58 -1.18 116.25 120.75 3ddo h VAL 4031Ca 0.00 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.53 3ddo h VAL 4031Cb 0.72 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3ddo h VAL 4031CO 0.00 0.01 0.54 -0.08 0.02 0.00 0.00 177.57 178.06 3ddo h GLU 4032N -0.21 0.99 -0.58 1.57 4.81 -1.78 -1.18 114.58 118.20 3ddo h GLU 4032Ca -0.02 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3ddo h GLU 4032Cb 0.16 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3ddo h GLU 4032CO 0.03 0.65 0.04 0.87 -0.73 0.00 0.00 179.01 179.88 3ddo h LYS 4033N 1.02 1.00 -0.24 1.92 1.57 -1.60 -1.56 116.57 118.67 3ddo h LYS 4033Ca 0.33 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3ddo h LYS 4033Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3ddo h LYS 4033CO -0.10 0.97 -0.13 0.82 -0.57 0.00 0.00 179.45 180.45 3ddo h ILE 4034N 0.89 1.30 0.00 1.86 2.04 -0.91 -2.91 117.51 119.79 3ddo h ILE 4034Ca 0.17 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 3ddo h ILE 4034Cb 0.50 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3ddo h ILE 4034CO 0.02 0.38 -0.01 0.00 0.00 0.00 0.00 178.15 178.54 3ddo h ALA 4035N 0.72 1.77 0.00 1.87 0.00 -1.07 -1.75 119.26 120.80 3ddo h ALA 4035Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ddo h ALA 4035Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3ddo h ALA 4035CO 0.04 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3ddo n ALA 4036N -2.44 1.74 1.42 0.00 0.00 -0.60 -1.42 120.51 119.21 3ddo n ALA 4036Ca -0.03 -0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.55 3ddo n ALA 4036Cb 0.09 -1.32 0.69 0.00 0.00 0.00 0.00 19.45 18.92 3ddo n ALA 4036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ddo n LEU 4037N -1.81 0.20 0.00 0.00 4.32 -0.66 -4.90 117.00 114.15 3ddo n LEU 4037Ca 0.03 0.16 -0.16 0.00 -0.02 0.00 0.00 56.01 56.02 3ddo n LEU 4037Cb 0.22 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 41.75 3ddo n LEU 4037CO 0.18 0.04 -0.09 0.23 -1.22 0.00 0.00 177.39 176.52 3ddo n MET 4038N -1.15 1.31 -3.78 3.23 2.81 -0.50 -5.11 117.12 113.93 3ddo n MET 4038Ca 0.14 -1.85 -0.37 0.00 -1.81 0.00 0.00 57.70 53.81 3ddo n MET 4038Cb 0.26 0.44 -0.06 0.00 -0.71 0.00 0.00 33.22 33.14 3ddo n MET 4038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ddo s ASP 4039N -2.46 6.50 -1.43 7.83 1.01 0.16 -4.50 116.67 123.78 3ddo s ASP 4039Ca 0.03 0.60 -0.05 0.00 0.71 0.00 0.00 52.55 53.85 3ddo s ASP 4039Cb -0.00 -2.12 0.03 0.00 1.01 0.00 0.00 42.92 41.84 3ddo s ASP 4039CO 0.02 0.39 0.68 0.29 0.21 0.00 0.00 175.17 176.76 3ddo n LYS 4040N 1.92 -4.37 -2.09 8.23 4.76 -1.26 -0.33 118.16 125.02 3ddo n LYS 4040Ca -0.18 0.52 -0.38 0.00 -2.87 0.00 0.00 58.31 55.40 3ddo n LYS 4040Cb 0.54 -5.03 0.01 0.00 -1.84 0.00 0.00 35.03 28.71 3ddo n LYS 4040CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3ddo s PRO 4041N -6.40 3.54 -0.05 1.97 0.04 -1.26 -4.64 135.00 128.20 3ddo s PRO 4041Ca 0.22 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 63.15 3ddo s PRO 4041Cb -0.11 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.08 3ddo s PRO 4041CO 0.85 -0.78 0.14 0.54 0.04 0.00 0.00 177.00 177.79 3ddo s VAL 4042N -1.46 0.00 0.22 -0.36 0.11 0.03 -4.99 120.40 113.95 3ddo s VAL 4042Ca 0.66 -0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.39 3ddo s VAL 4042Cb -0.33 -0.21 -0.08 0.00 -1.53 0.00 0.00 36.38 34.22 3ddo s VAL 4042CO 0.39 -0.01 1.16 -0.75 -3.33 0.00 0.00 175.10 172.57 3ddo s LYS 4043N 0.02 4.54 -0.22 1.54 2.20 -1.26 -0.96 119.74 125.60 3ddo s LYS 4043Ca -0.01 1.85 -0.13 0.00 -0.36 0.00 0.00 55.97 57.33 3ddo s LYS 4043Cb -0.01 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 32.99 3ddo s LYS 4043CO 0.00 0.01 -0.31 1.28 -0.36 0.00 0.00 175.35 175.97 3ddo n LEU 4044N 2.06 1.72 -3.46 5.43 4.77 0.37 -4.90 117.00 123.00 3ddo n LEU 4044Ca 0.02 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 3ddo n LEU 4044Cb 0.45 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 3ddo n LEU 4044CO 0.55 0.34 0.48 0.00 -1.33 0.00 0.00 177.39 177.43 3ddo s ALA 4045N -2.51 -1.65 -0.16 -1.18 0.00 -1.08 -5.00 121.76 110.17 3ddo s ALA 4045Ca -0.32 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 3ddo s ALA 4045Cb 0.11 0.76 0.08 0.00 0.00 0.00 0.00 23.12 24.07 3ddo s ALA 4045CO 0.41 -0.76 0.22 0.45 0.00 0.00 0.00 175.76 176.08 3ddo s SER 4046N -2.69 1.01 -0.02 0.00 0.15 -1.26 -1.00 113.70 109.90 3ddo s SER 4046Ca 0.02 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.76 3ddo s SER 4046Cb -0.01 0.43 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 3ddo s SER 4046CO -0.11 -0.29 0.02 -1.00 1.20 0.00 0.00 173.24 173.06 3ddo s HIS 4047N 2.34 0.08 0.00 3.44 3.76 -0.46 -4.99 115.29 119.45 3ddo s HIS 4047Ca 0.05 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.04 3ddo s HIS 4047Cb -0.14 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.32 3ddo s HIS 4047CO -0.10 -0.08 0.00 0.54 -0.85 0.00 0.00 174.74 174.25 3ddo n ARG 4048N 3.96 0.00 -0.14 1.40 1.74 -1.26 -0.47 116.66 121.89 3ddo n ARG 4048Ca -0.25 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.87 3ddo n ARG 4048Cb 0.52 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.06 3ddo n ARG 4048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3ddo n GLU 4049N 14.00 1.64 -3.53 5.56 0.00 -1.26 -4.74 120.64 132.31 3ddo n GLU 4049Ca 0.00 -0.83 -0.41 0.00 0.00 0.00 0.00 57.16 55.91 3ddo n GLU 4049Cb 0.00 -1.28 -0.08 0.00 0.00 0.00 0.00 31.44 30.08 3ddo n GLU 4049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3ddo s PHE 4050N -1.67 3.45 -0.17 -1.84 0.08 0.38 -3.94 117.98 114.27 3ddo s PHE 4050Ca 0.15 -1.94 -0.05 0.00 0.12 0.00 0.00 56.93 55.22 3ddo s PHE 4050Cb 0.09 -3.52 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 3ddo s PHE 4050CO 0.09 -0.98 -0.01 0.99 -0.10 0.00 0.00 175.22 175.21 3ddo s THR 4051N 1.10 4.10 -0.00 0.64 2.01 -1.26 -1.36 115.64 120.86 3ddo s THR 4051Ca 0.08 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.85 3ddo s THR 4051Cb -0.24 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 3ddo s THR 4051CO -0.02 0.48 -0.16 -0.94 -0.69 0.00 0.00 174.62 173.30 3ddo s SER 4052N 0.42 1.84 0.12 3.53 1.04 -0.17 -1.44 113.70 119.04 3ddo s SER 4052Ca -0.02 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.14 3ddo s SER 4052Cb -0.14 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 3ddo s SER 4052CO 0.02 0.17 -0.10 0.26 0.98 0.00 0.00 173.24 174.58 3ddo s TRP 4053N -0.43 1.14 0.07 5.02 0.52 0.35 -0.48 118.94 125.13 3ddo s TRP 4053Ca 0.06 -0.72 0.10 0.00 0.02 0.00 0.00 56.10 55.56 3ddo s TRP 4053Cb -0.06 -0.61 -0.03 0.00 -1.15 0.00 0.00 33.47 31.62 3ddo s TRP 4053CO -0.00 0.02 -0.26 0.50 0.02 0.00 0.00 176.95 177.23 3ddo s ARG 4054N -3.25 1.67 0.33 4.98 3.52 -0.13 -0.95 118.95 125.11 3ddo s ARG 4054Ca 0.11 -1.17 -0.02 0.00 -0.13 0.00 0.00 55.73 54.51 3ddo s ARG 4054Cb -0.00 -1.94 0.01 0.00 -1.56 0.00 0.00 34.95 31.46 3ddo s ARG 4054CO -0.00 0.49 0.46 0.00 -0.81 0.00 0.00 175.30 175.44 3ddo n ALA 4055N 1.53 -0.33 -3.05 6.12 0.00 -0.27 -0.79 120.51 123.72 3ddo n ALA 4055Ca -0.17 -1.52 -0.32 0.00 0.00 0.00 0.00 53.44 51.43 3ddo n ALA 4055Cb 0.52 1.22 -0.16 0.00 0.00 0.00 0.00 19.45 21.03 3ddo n ALA 4055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ddo s GLU 4056N -2.74 2.98 -0.18 0.00 2.02 0.55 -0.53 118.70 120.80 3ddo s GLU 4056Ca 0.27 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.43 3ddo s GLU 4056Cb -0.01 -2.34 0.03 0.00 0.10 0.00 0.00 34.13 31.91 3ddo s GLU 4056CO 0.19 0.25 -0.17 -1.17 0.02 0.00 0.00 175.26 174.39 3ddo s LEU 4057N 0.18 2.14 -1.43 1.80 2.96 0.16 -0.67 118.68 123.82 3ddo s LEU 4057Ca -0.13 -0.69 -0.13 0.00 -0.22 0.00 0.00 54.13 52.96 3ddo s LEU 4057Cb -0.16 -1.38 0.11 0.00 0.50 0.00 0.00 46.19 45.25 3ddo s LEU 4057CO 0.07 -0.05 0.63 0.47 -1.32 0.00 0.00 176.35 176.15 3ddo n ASP 4058N 4.65 -3.60 0.00 3.68 8.00 -1.26 -0.88 116.55 127.14 3ddo n ASP 4058Ca -0.19 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.68 3ddo n ASP 4058Cb 0.49 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.63 3ddo n ASP 4058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddo n GLY 4059N -1.27 0.90 3.49 0.44 0.00 -1.26 -5.04 105.19 102.45 3ddo n GLY 4059Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3ddo n GLY 4059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddo s LYS 4060N -0.30 2.83 0.32 1.61 1.02 -0.06 -5.04 119.74 120.12 3ddo s LYS 4060Ca 0.00 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 55.07 3ddo s LYS 4060Cb 0.00 -2.53 -0.11 0.00 -0.52 0.00 0.00 37.83 34.67 3ddo s LYS 4060CO 0.00 0.53 1.43 0.00 -0.92 0.00 0.00 175.35 176.39 3ddo s ALA 4061N -0.48 3.58 0.01 5.17 0.00 -1.26 -0.66 121.76 128.12 3ddo s ALA 4061Ca 0.06 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.44 3ddo s ALA 4061Cb -0.12 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 3ddo s ALA 4061CO 0.02 -0.83 -0.04 0.08 0.00 0.00 0.00 175.76 174.99 3ddo s VAL 4062N -0.73 0.23 -0.06 0.00 1.01 0.31 -4.30 120.40 116.87 3ddo s VAL 4062Ca 0.54 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 3ddo s VAL 4062Cb -0.43 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 3ddo s VAL 4062CO 0.53 -0.15 0.14 -0.63 0.00 0.00 0.00 175.10 174.99 3ddo s ILE 4063N -0.62 5.29 -0.13 2.22 -1.09 -0.78 -1.12 121.20 124.99 3ddo s ILE 4063Ca -0.05 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 3ddo s ILE 4063Cb -0.05 -3.38 0.01 0.00 -1.58 0.00 0.00 42.46 37.46 3ddo s ILE 4063CO -0.00 0.47 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.29 3ddo s VAL 4064N -1.16 1.87 -0.09 2.92 1.01 -0.12 -0.71 120.40 124.12 3ddo s VAL 4064Ca 0.21 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 3ddo s VAL 4064Cb -0.12 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.64 3ddo s VAL 4064CO 0.11 0.51 0.20 0.00 0.00 0.00 0.00 175.10 175.92 3ddo s SER 4066N 1.21 6.48 -0.02 0.00 1.04 -0.52 -3.73 113.70 118.17 3ddo s SER 4066Ca -0.09 1.66 0.15 0.00 0.48 0.00 0.00 55.95 58.16 3ddo s SER 4066Cb -0.11 -2.52 -0.23 0.00 0.10 0.00 0.00 66.02 63.26 3ddo s SER 4066CO -0.07 -0.68 0.37 0.35 0.98 0.00 0.00 173.24 174.19 3ddo n THR 4067N -1.48 0.00 -0.10 2.02 -2.24 -0.35 -4.45 114.28 107.67 3ddo n THR 4067Ca 0.07 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.54 3ddo n THR 4067Cb 0.54 0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 69.02 3ddo n THR 4067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddo n GLY 4068N 1.60 -1.58 3.72 3.38 0.00 -0.40 -3.30 105.19 108.62 3ddo n GLY 4068Ca -0.02 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 3ddo n GLY 4068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddo s ILE 4069N -1.47 5.00 0.00 -0.61 1.01 -1.26 -4.69 121.20 119.17 3ddo s ILE 4069Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.21 3ddo s ILE 4069Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3ddo s ILE 4069CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3ddo n GLY 4070N 3.03 2.36 0.37 6.18 0.00 -1.25 -4.59 105.19 111.30 3ddo n GLY 4070Ca -0.00 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 44.15 3ddo n GLY 4070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ddo h GLY 4071N 0.00 1.48 0.93 -0.02 0.00 -1.85 -2.34 103.07 101.27 3ddo h GLY 4071Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3ddo h GLY 4071CO 0.00 0.40 0.02 -2.55 0.00 0.00 0.00 176.54 174.41 3ddo h PRO 4072N 1.24 0.05 -0.72 4.80 0.11 -1.94 0.22 132.00 135.77 3ddo h PRO 4072Ca 0.41 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.45 3ddo h PRO 4072Cb 0.05 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 3ddo h PRO 4072CO -0.14 0.11 0.19 1.03 -0.21 0.00 0.00 178.00 178.98 3ddo h SER 4073N -0.03 1.07 -0.69 -2.05 0.87 -1.79 -2.72 113.55 108.20 3ddo h SER 4073Ca 0.01 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 3ddo h SER 4073Cb 0.08 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.72 3ddo h SER 4073CO -0.00 1.01 0.46 0.74 -0.53 0.00 0.00 176.83 178.50 3ddo h THR 4074N 1.08 1.17 -0.27 2.23 2.02 -1.11 -2.03 112.91 116.00 3ddo h THR 4074Ca 0.23 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3ddo h THR 4074Cb 0.35 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3ddo h THR 4074CO -0.00 0.17 0.05 0.77 0.37 0.00 0.00 175.52 176.87 3ddo h SER 4075N 0.93 0.35 -0.00 4.18 4.64 -0.27 0.36 113.55 123.74 3ddo h SER 4075Ca 0.26 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3ddo h SER 4075Cb -0.09 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3ddo h SER 4075CO -0.06 0.38 -0.00 0.40 -0.87 0.00 0.00 176.83 176.67 3ddo h ILE 4076N 0.38 1.32 -0.41 0.95 2.04 -1.16 -1.95 117.51 118.68 3ddo h ILE 4076Ca 0.09 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 3ddo h ILE 4076Cb 0.18 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3ddo h ILE 4076CO -0.00 0.24 0.21 0.00 0.00 0.00 0.00 178.15 178.61 3ddo h ALA 4077N 0.60 0.53 -0.34 1.87 0.00 -0.90 -1.18 119.26 119.85 3ddo h ALA 4077Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ddo h ALA 4077Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ddo h ALA 4077CO 0.00 0.07 0.07 0.28 0.00 0.00 0.00 179.25 179.68 3ddo h VAL 4078N 0.53 1.23 -0.43 0.00 2.07 -1.01 -0.25 116.25 118.38 3ddo h VAL 4078Ca 0.14 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3ddo h VAL 4078Cb 0.09 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3ddo h VAL 4078CO -0.02 0.26 0.28 -0.08 0.02 0.00 0.00 177.57 178.03 3ddo h GLU 4079N 0.39 0.56 -0.05 1.57 4.57 -1.18 -0.31 114.58 120.12 3ddo h GLU 4079Ca 0.10 -0.03 -0.19 0.00 -1.18 0.00 0.00 59.36 58.06 3ddo h GLU 4079Cb 0.32 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3ddo h GLU 4079CO 0.00 0.37 -0.78 0.93 -1.18 0.00 0.00 179.01 178.36 3ddo h GLU 4080N 0.58 0.36 -0.76 1.92 5.08 -1.11 -1.22 114.58 119.44 3ddo h GLU 4080Ca 0.16 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3ddo h GLU 4080Cb -0.06 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3ddo h GLU 4080CO -0.04 0.98 0.31 -0.07 -1.00 0.00 0.00 179.01 179.19 3ddo h LEU 4081N 0.24 1.03 -0.61 1.33 3.38 -0.91 -1.95 115.31 117.83 3ddo h LEU 4081Ca -0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3ddo h LEU 4081Cb 1.37 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3ddo h LEU 4081CO 0.13 0.91 0.33 0.00 0.09 0.00 0.00 178.44 179.91 3ddo h ALA 4082N 1.23 0.78 -0.49 1.53 0.00 -0.71 -0.73 119.26 120.87 3ddo h ALA 4082Ca 0.26 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3ddo h ALA 4082Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3ddo h ALA 4082CO -0.02 0.29 0.33 1.96 0.00 0.00 0.00 179.25 181.81 3ddo h GLN 4083N 0.82 0.46 0.00 0.00 4.20 -0.88 -1.92 115.11 117.78 3ddo h GLN 4083Ca 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3ddo h GLN 4083Cb 0.04 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3ddo h GLN 4083CO -0.03 0.30 0.00 -0.07 -0.67 0.00 0.00 178.83 178.36 3ddo h LEU 4084N 0.47 0.00 0.00 1.46 3.38 -0.58 -3.47 115.31 116.58 3ddo h LEU 4084Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3ddo h LEU 4084Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3ddo h LEU 4084CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 3ddo n GLY 4085N 1.17 0.74 3.74 0.83 0.00 -0.72 -4.72 105.19 106.22 3ddo n GLY 4085Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3ddo n GLY 4085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddo s ILE 4086N -1.54 3.61 0.00 -0.61 -1.09 -0.36 -4.60 121.20 116.61 3ddo s ILE 4086Ca 0.00 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.77 3ddo s ILE 4086Cb 0.00 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 3ddo s ILE 4086CO 0.00 0.21 0.00 0.54 -1.23 0.00 0.00 174.94 174.46 3ddo n ARG 4087N 2.54 3.83 -4.60 2.79 5.12 0.17 -4.22 116.66 122.29 3ddo n ARG 4087Ca 0.04 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.72 3ddo n ARG 4087Cb 0.45 -0.69 -0.16 0.00 -1.16 0.00 0.00 32.46 30.90 3ddo n ARG 4087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3ddo s THR 4088N -1.34 1.14 -0.09 0.55 2.01 -0.77 -1.24 115.64 115.89 3ddo s THR 4088Ca 0.00 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.52 3ddo s THR 4088Cb 0.00 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.50 3ddo s THR 4088CO 0.00 0.35 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.76 3ddo s PHE 4089N 0.51 1.93 -0.26 4.92 0.08 0.93 -0.77 117.98 125.32 3ddo s PHE 4089Ca -0.11 -0.84 0.01 0.00 0.12 0.00 0.00 56.93 56.11 3ddo s PHE 4089Cb -0.14 -1.37 0.05 0.00 -0.57 0.00 0.00 43.02 40.98 3ddo s PHE 4089CO 0.03 -0.41 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.15 3ddo s LEU 4090N 0.78 3.35 0.05 -0.37 1.43 -0.21 -1.28 118.68 122.43 3ddo s LEU 4090Ca -0.11 -1.18 -0.27 0.00 -1.03 0.00 0.00 54.13 51.54 3ddo s LEU 4090Cb -0.16 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 3ddo s LEU 4090CO 0.02 -0.17 0.85 -0.60 0.23 0.00 0.00 176.35 176.67 3ddo s ARG 4091N 1.20 4.56 -0.17 1.70 3.52 -0.29 -0.40 118.95 129.07 3ddo s ARG 4091Ca -0.05 1.22 0.02 0.00 -0.13 0.00 0.00 55.73 56.78 3ddo s ARG 4091Cb -0.18 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 3ddo s ARG 4091CO -0.05 0.20 -0.21 -1.50 -0.81 0.00 0.00 175.30 172.94 3ddo s ILE 4092N 0.15 2.06 0.40 4.11 1.10 -1.22 -1.22 121.20 126.59 3ddo s ILE 4092Ca 0.43 -0.95 0.04 0.00 -0.51 0.00 0.00 60.65 59.66 3ddo s ILE 4092Cb -0.21 -1.84 -0.02 0.00 0.15 0.00 0.00 42.46 40.53 3ddo s ILE 4092CO 0.25 0.54 0.16 -0.83 -2.11 0.00 0.00 174.94 172.95 3ddo s GLY 4093N 1.12 2.61 0.14 1.50 0.00 -0.29 -4.07 107.32 108.33 3ddo s GLY 4093Ca 0.01 -1.31 0.08 0.00 0.00 0.00 0.00 44.72 43.50 3ddo s GLY 4093CO -0.09 -1.78 -0.12 -0.51 0.00 0.00 0.00 173.10 170.60 3ddo s THR 4094N -3.23 3.15 0.13 0.90 -4.23 -1.26 -1.67 115.64 109.43 3ddo s THR 4094Ca 0.25 -1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 59.10 3ddo s THR 4094Cb 0.02 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.39 3ddo s THR 4094CO 0.16 0.01 0.40 0.28 -0.54 0.00 0.00 174.62 174.93 3ddo s THR 4095N -1.41 0.07 -0.23 3.99 -1.32 -0.65 -4.87 115.64 111.21 3ddo s THR 4095Ca 0.22 -0.65 -0.06 0.00 -1.21 0.00 0.00 61.69 59.99 3ddo s THR 4095Cb -0.10 -1.23 -0.02 0.00 -1.51 0.00 0.00 72.50 69.63 3ddo s THR 4095CO 0.13 -0.32 0.04 -0.83 -2.21 0.00 0.00 174.62 171.43 3ddo s GLY 4096N -2.82 1.73 0.43 6.08 0.00 -1.23 -1.64 107.32 109.87 3ddo s GLY 4096Ca 0.04 -1.11 -0.16 0.00 0.00 0.00 0.00 44.72 43.49 3ddo s GLY 4096CO -0.11 0.46 0.88 0.00 0.00 0.00 0.00 173.10 174.34 3ddo s ALA 4097N 1.47 3.16 0.00 3.20 0.00 -0.64 -2.00 121.76 126.96 3ddo s ALA 4097Ca 0.05 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3ddo s ALA 4097Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3ddo s ALA 4097CO 0.02 0.03 0.66 0.44 0.00 0.00 0.00 175.76 176.91 3ddo n ILE 4098N -1.00 0.36 -3.85 0.00 -5.35 -0.33 -1.16 119.36 108.02 3ddo n ILE 4098Ca 0.05 -0.65 -0.35 0.00 -0.27 0.00 0.00 62.75 61.54 3ddo n ILE 4098Cb 0.54 0.86 -0.08 0.00 -1.74 0.00 0.00 39.64 39.22 3ddo n ILE 4098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3ddo s GLN 4099N -0.36 3.97 0.52 6.28 -1.52 -1.25 -4.82 119.66 122.48 3ddo s GLN 4099Ca 0.00 -0.24 0.20 0.00 -1.95 0.00 0.00 55.36 53.36 3ddo s GLN 4099Cb 0.00 -3.30 1.31 0.00 -0.22 0.00 0.00 33.01 30.80 3ddo s GLN 4099CO 0.00 0.39 2.08 -1.35 -0.25 0.00 0.00 175.29 176.15 3ddo h PRO 4100N 6.34 0.02 -0.62 2.91 0.11 -1.97 -2.35 132.00 136.45 3ddo h PRO 4100Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ddo h PRO 4100Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ddo h PRO 4100CO 0.71 0.01 0.00 0.72 -0.21 0.00 0.00 178.00 179.23 3ddo n HIS 4101N -4.47 1.01 -3.55 0.65 8.25 -1.26 -4.74 115.22 111.11 3ddo n HIS 4101Ca 0.03 -0.45 -0.40 0.00 -0.26 0.00 0.00 57.72 56.65 3ddo n HIS 4101Cb 0.33 -0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.23 3ddo n HIS 4101CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3ddo s ILE 4102N -1.46 5.22 0.27 1.59 1.01 -0.89 -5.08 121.20 121.86 3ddo s ILE 4102Ca 0.42 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.87 3ddo s ILE 4102Cb 0.24 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3ddo s ILE 4102CO 0.24 0.03 0.45 0.20 0.00 0.00 0.00 174.94 175.86 3ddo s ASN 4103N 1.72 6.34 0.25 3.58 0.01 -1.26 -4.88 114.94 120.70 3ddo s ASN 4103Ca 0.06 0.37 -0.31 0.00 -0.71 0.00 0.00 52.86 52.27 3ddo s ASN 4103Cb -0.17 -2.00 -0.12 0.00 0.41 0.00 0.00 41.25 39.37 3ddo s ASN 4103CO 0.10 -0.15 1.66 0.52 -1.51 0.00 0.00 177.10 177.72 3ddo n VAL 4104N -1.24 0.53 0.00 1.60 0.31 -1.26 -1.38 118.33 116.89 3ddo n VAL 4104Ca -0.05 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3ddo n VAL 4104Cb 0.55 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 3ddo n VAL 4104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ddo n GLY 4105N 3.03 3.06 3.74 2.92 0.00 -0.23 -5.02 105.19 112.69 3ddo n GLY 4105Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3ddo n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddo s ASP 4106N -1.17 4.32 -0.11 1.61 1.11 -0.48 -4.75 116.67 117.20 3ddo s ASP 4106Ca 0.00 2.02 0.00 0.00 0.18 0.00 0.00 52.55 54.76 3ddo s ASP 4106Cb 0.00 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.42 3ddo s ASP 4106CO 0.00 -2.16 -0.10 -0.69 1.18 0.00 0.00 175.17 173.39 3ddo s VAL 4107N -2.56 3.34 -0.14 -1.27 1.01 0.18 -1.39 120.40 119.57 3ddo s VAL 4107Ca 0.66 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 3ddo s VAL 4107Cb -0.21 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 3ddo s VAL 4107CO 0.51 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 175.28 3ddo s LEU 4108N -0.10 2.78 -0.18 3.92 1.43 0.01 -0.99 118.68 125.54 3ddo s LEU 4108Ca -0.00 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 3ddo s LEU 4108Cb -0.13 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 3ddo s LEU 4108CO 0.03 0.14 -0.02 -0.69 0.23 0.00 0.00 176.35 176.04 3ddo s VAL 4109N 0.51 3.85 -0.22 -1.59 1.01 -0.16 -1.07 120.40 122.73 3ddo s VAL 4109Ca -0.08 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 3ddo s VAL 4109Cb -0.15 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3ddo s VAL 4109CO 0.04 0.45 0.32 -0.89 0.00 0.00 0.00 175.10 175.02 3ddo s THR 4110N 0.80 5.25 0.01 3.92 2.01 -0.76 -1.78 115.64 125.10 3ddo s THR 4110Ca -0.00 0.51 -0.02 0.00 0.31 0.00 0.00 61.69 62.49 3ddo s THR 4110Cb -0.14 -3.65 -0.27 0.00 0.01 0.00 0.00 72.50 68.45 3ddo s THR 4110CO 0.02 0.27 0.90 0.71 -0.69 0.00 0.00 174.62 175.82 3ddo h THR 4111N 5.08 1.20 -2.56 -0.82 1.35 -1.25 -3.41 112.91 112.49 3ddo h THR 4111Ca -0.36 -2.85 0.09 0.00 -0.55 0.00 0.00 66.41 62.75 3ddo h THR 4111Cb 1.16 2.77 -0.11 0.00 -1.73 0.00 0.00 68.15 70.24 3ddo h THR 4111CO 0.68 0.82 0.39 0.00 -0.25 0.00 0.00 175.52 177.16 3ddo s ALA 4112N -2.62 -1.65 0.06 6.62 0.00 -1.26 -0.85 121.76 122.07 3ddo s ALA 4112Ca -0.08 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.44 3ddo s ALA 4112Cb 0.07 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 3ddo s ALA 4112CO 0.85 -0.85 -0.21 -1.12 0.00 0.00 0.00 175.76 174.44 3ddo s SER 4113N -2.72 2.53 0.03 0.00 0.01 0.17 -2.24 113.70 111.47 3ddo s SER 4113Ca 0.07 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.45 3ddo s SER 4113Cb -0.02 -0.19 -0.06 0.00 0.21 0.00 0.00 66.02 65.97 3ddo s SER 4113CO -0.05 0.13 1.36 -0.69 0.41 0.00 0.00 173.24 174.40 3ddo s VAL 4114N -0.91 3.72 -1.14 3.43 1.01 0.70 -4.33 120.40 122.87 3ddo s VAL 4114Ca 0.07 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.05 3ddo s VAL 4114Cb -0.09 -3.74 0.16 0.00 0.00 0.00 0.00 36.38 32.71 3ddo s VAL 4114CO 0.03 0.03 1.35 -0.13 0.00 0.00 0.00 175.10 176.38 3ddo s ARG 4115N 1.97 3.97 -0.51 2.72 0.52 -1.26 -1.43 118.95 124.92 3ddo s ARG 4115Ca 0.63 -2.39 0.02 0.00 -0.52 0.00 0.00 55.73 53.47 3ddo s ARG 4115Cb -0.32 -5.02 0.58 0.00 0.52 0.00 0.00 34.95 30.71 3ddo s ARG 4115CO 0.27 -1.76 1.91 1.28 0.02 0.00 0.00 175.30 177.01 3ddo n LEU 4116N 5.84 6.83 -4.70 2.53 4.77 -0.37 -4.94 117.00 126.96 3ddo n LEU 4116Ca 0.33 -3.89 -0.31 0.00 -0.03 0.00 0.00 56.01 52.12 3ddo n LEU 4116Cb 0.44 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.59 3ddo n LEU 4116CO 0.59 1.24 -0.26 1.51 -1.33 0.00 0.00 177.39 179.14 3ddo s ASP 4117N -1.64 3.94 -0.12 -1.43 -4.77 -1.20 -1.46 116.67 109.99 3ddo s ASP 4117Ca 0.59 -1.58 0.11 0.00 -3.30 0.00 0.00 52.55 48.37 3ddo s ASP 4117Cb 0.48 0.27 -0.15 0.00 -1.09 0.00 0.00 42.92 42.43 3ddo s ASP 4117CO 0.06 -0.75 0.04 0.61 0.70 0.00 0.00 175.17 175.83 3ddo n GLY 4118N -1.15 -0.60 0.17 2.12 0.00 -1.26 -4.68 105.19 99.79 3ddo n GLY 4118Ca -0.14 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.69 3ddo n GLY 4118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddo h ALA 4119N 0.59 1.23 -0.40 4.61 0.00 -1.98 -2.56 119.26 120.76 3ddo h ALA 4119Ca -0.34 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.19 3ddo h ALA 4119Cb 1.76 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3ddo h ALA 4119CO 0.02 0.56 0.27 0.66 0.00 0.00 0.00 179.25 180.75 3ddo h SER 4120N 0.00 0.41 0.74 0.00 4.64 -1.85 -0.47 113.55 117.01 3ddo h SER 4120Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ddo h SER 4120Cb 0.80 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3ddo h SER 4120CO 0.06 0.29 0.00 0.18 -0.87 0.00 0.00 176.83 176.48 3ddo n LEU 4121N -4.48 0.62 -0.03 5.97 4.77 -0.96 -1.36 117.00 121.53 3ddo n LEU 4121Ca 0.04 0.65 0.15 0.00 -0.03 0.00 0.00 56.01 56.82 3ddo n LEU 4121Cb 0.11 -0.56 0.80 0.00 -2.33 0.00 0.00 43.42 41.44 3ddo n LEU 4121CO 0.35 -0.53 1.03 1.41 -1.33 0.00 0.00 177.39 178.32 3ddo n HIS 4122N -2.19 0.00 -0.00 -1.77 8.25 -0.18 -3.95 115.22 115.38 3ddo n HIS 4122Ca 0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3ddo n HIS 4122Cb 0.23 -0.16 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 3ddo n HIS 4122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ddo n PHE 4123N -1.10 0.00 -3.58 4.41 3.72 -0.46 -5.09 117.46 115.37 3ddo n PHE 4123Ca 0.18 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.41 3ddo n PHE 4123Cb 0.20 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.66 3ddo n PHE 4123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ddo s ALA 4124N -2.01 -1.66 0.90 4.37 0.00 -0.76 -5.00 121.76 117.60 3ddo s ALA 4124Ca -0.00 1.42 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 3ddo s ALA 4124Cb 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 23.12 22.92 3ddo s ALA 4124CO 0.01 -0.35 1.09 -1.25 0.00 0.00 0.00 175.76 175.27 3ddo s PRO 4125N -0.73 1.18 0.55 0.00 0.04 -1.26 -3.97 135.00 130.80 3ddo s PRO 4125Ca -0.08 1.04 0.24 0.00 0.04 0.00 0.00 61.00 62.24 3ddo s PRO 4125Cb -0.02 -1.78 1.45 0.00 0.04 0.00 0.00 34.50 34.19 3ddo s PRO 4125CO 0.07 -2.36 2.08 1.98 0.04 0.00 0.00 177.00 178.81 3ddo h MET 4126N -1.65 0.00 0.00 4.56 4.05 -1.94 -1.20 114.93 118.75 3ddo h MET 4126Ca -0.48 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.93 3ddo h MET 4126Cb 1.27 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.07 3ddo h MET 4126CO 0.51 0.00 -0.03 0.93 0.23 0.00 0.00 176.91 178.55 3ddo h GLU 4127N 0.00 0.00 -6.66 0.39 3.07 -2.03 -3.43 114.58 105.92 3ddo h GLU 4127Ca 0.12 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.46 3ddo h GLU 4127Cb 0.53 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.47 3ddo h GLU 4127CO -0.00 0.03 0.62 0.12 -1.40 0.00 0.00 179.01 178.38 3ddo s PHE 4128N -4.76 3.31 0.12 4.33 5.36 -0.46 -5.00 117.98 120.89 3ddo s PHE 4128Ca -0.05 1.27 -0.30 0.00 -0.96 0.00 0.00 56.93 56.89 3ddo s PHE 4128Cb 0.16 -3.55 -0.06 0.00 -0.34 0.00 0.00 43.02 39.23 3ddo s PHE 4128CO 0.61 -1.69 0.99 -1.25 -1.46 0.00 0.00 175.22 172.43 3ddo s PRO 4129N -0.04 4.68 -1.38 10.12 0.04 -1.26 -4.95 135.00 142.21 3ddo s PRO 4129Ca 0.56 1.50 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 3ddo s PRO 4129Cb -0.35 -3.36 0.06 0.00 0.04 0.00 0.00 34.50 30.89 3ddo s PRO 4129CO 0.37 0.18 1.99 0.00 0.04 0.00 0.00 177.00 179.58 3ddo n ALA 4130N 2.73 4.67 -2.71 8.56 0.00 -1.26 -4.75 120.51 127.75 3ddo n ALA 4130Ca 0.02 -3.90 -0.35 0.00 0.00 0.00 0.00 53.44 49.22 3ddo n ALA 4130Cb 0.49 -3.53 -0.09 0.00 0.00 0.00 0.00 19.45 16.32 3ddo n ALA 4130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ddo s VAL 4131N 3.45 4.47 0.59 0.00 0.11 -1.26 -0.66 120.40 127.09 3ddo s VAL 4131Ca 0.49 -0.23 -0.15 0.00 -2.93 0.00 0.00 61.98 59.16 3ddo s VAL 4131Cb 0.09 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.99 3ddo s VAL 4131CO -0.01 0.57 1.04 0.00 -3.33 0.00 0.00 175.10 173.37 3ddo s ALA 4132N -0.94 2.80 0.27 1.54 0.00 -0.03 -4.67 121.76 120.73 3ddo s ALA 4132Ca 0.15 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 3ddo s ALA 4132Cb -0.11 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3ddo s ALA 4132CO 0.04 -0.73 1.38 0.34 0.00 0.00 0.00 175.76 176.78 3ddo s ASP 4133N -2.94 6.73 0.18 0.00 2.15 0.03 -4.95 116.67 117.87 3ddo s ASP 4133Ca 0.62 2.63 -0.12 0.00 0.43 0.00 0.00 52.55 56.11 3ddo s ASP 4133Cb -0.15 -2.63 0.09 0.00 -0.30 0.00 0.00 42.92 39.94 3ddo s ASP 4133CO 0.38 -0.62 1.79 0.15 -0.17 0.00 0.00 175.17 176.69 3ddo h PHE 4134N 4.58 0.86 -0.70 -5.34 3.57 -1.96 -1.22 116.94 116.72 3ddo h PHE 4134Ca -0.47 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 60.95 3ddo h PHE 4134Cb 1.22 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 3ddo h PHE 4134CO 0.59 0.62 0.21 0.00 -2.23 0.00 0.00 178.31 177.50 3ddo h ALA 4135N 1.15 0.92 -0.37 2.41 0.00 -1.96 -0.07 119.26 121.34 3ddo h ALA 4135Ca 0.22 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3ddo h ALA 4135Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ddo h ALA 4135CO -0.03 0.62 -0.01 0.00 0.00 0.00 0.00 179.25 179.83 3ddo h THR 4137N 0.48 1.26 -0.46 0.00 2.02 -1.11 -1.24 112.91 113.85 3ddo h THR 4137Ca 0.11 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 3ddo h THR 4137Cb 0.48 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3ddo h THR 4137CO 0.02 0.36 0.24 0.74 0.37 0.00 0.00 175.52 177.25 3ddo h THR 4138N 1.01 1.17 -0.78 3.16 2.02 -0.85 -1.50 112.91 117.14 3ddo h THR 4138Ca 0.21 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3ddo h THR 4138Cb 0.36 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3ddo h THR 4138CO 0.00 0.19 0.38 0.00 0.37 0.00 0.00 175.52 176.45 3ddo h ALA 4139N 1.08 1.18 -0.40 6.16 0.00 -0.66 -0.76 119.26 125.87 3ddo h ALA 4139Ca 0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3ddo h ALA 4139Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ddo h ALA 4139CO -0.02 0.62 -0.10 -0.07 0.00 0.00 0.00 179.25 179.68 3ddo h LEU 4140N 1.11 0.78 -0.39 0.00 3.38 -0.93 -0.21 115.31 119.04 3ddo h LEU 4140Ca 0.27 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3ddo h LEU 4140Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3ddo h LEU 4140CO -0.03 0.96 0.06 0.58 0.09 0.00 0.00 178.44 180.10 3ddo h VAL 4141N 0.59 1.24 -0.53 1.22 2.07 -1.01 -0.85 116.25 118.98 3ddo h VAL 4141Ca 0.10 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 3ddo h VAL 4141Cb 0.62 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3ddo h VAL 4141CO 0.04 0.30 -0.06 -0.33 0.02 0.00 0.00 177.57 177.54 3ddo h GLU 4142N 0.50 0.95 -0.55 1.57 5.08 -1.12 -2.51 114.58 118.50 3ddo h GLU 4142Ca 0.12 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 3ddo h GLU 4142Cb 0.37 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3ddo h GLU 4142CO 0.01 0.98 0.12 0.00 -1.00 0.00 0.00 179.01 179.12 3ddo h ALA 4143N 1.06 1.18 -0.38 3.43 0.00 -0.79 -1.44 119.26 122.32 3ddo h ALA 4143Ca 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3ddo h ALA 4143Cb 0.59 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ddo h ALA 4143CO 0.04 0.56 0.02 0.00 0.00 0.00 0.00 179.25 179.87 3ddo h ALA 4144N 1.31 1.34 -0.16 0.00 0.00 -0.82 -0.54 119.26 120.40 3ddo h ALA 4144Ca 0.18 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3ddo h ALA 4144Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ddo h ALA 4144CO 0.00 0.46 -0.51 0.87 0.00 0.00 0.00 179.25 180.07 3ddo h LYS 4145N 0.56 0.44 -0.35 0.00 1.57 -1.00 -0.65 116.57 117.14 3ddo h LYS 4145Ca 0.12 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 3ddo h LYS 4145Cb 0.32 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3ddo h LYS 4145CO 0.01 0.85 -0.29 0.77 -0.57 0.00 0.00 179.45 180.21 3ddo h SER 4146N 0.35 0.86 0.39 0.86 0.02 -0.43 -3.12 113.55 112.47 3ddo h SER 4146Ca 0.01 -0.45 -0.20 0.00 -0.84 0.00 0.00 61.79 60.31 3ddo h SER 4146Cb 1.01 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 3ddo h SER 4146CO 0.09 1.13 -0.86 0.40 -1.14 0.00 0.00 176.83 176.45 3ddo h ILE 4147N 0.59 1.42 -1.40 3.27 1.08 -1.14 -3.49 117.51 117.84 3ddo h ILE 4147Ca 0.06 -2.40 0.00 0.00 -0.39 0.00 0.00 64.86 62.13 3ddo h ILE 4147Cb 0.87 2.34 0.00 0.00 -3.07 0.00 0.00 36.82 36.95 3ddo h ILE 4147CO 0.08 0.71 0.00 0.61 -0.69 0.00 0.00 178.15 178.86 3ddo n GLY 4148N 0.80 -1.38 3.47 5.37 0.00 -0.27 -5.10 105.19 108.09 3ddo n GLY 4148Ca -0.05 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 3ddo n GLY 4148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddo s ALA 4149N 0.00 -1.64 -0.40 4.61 0.00 -1.13 -5.00 121.76 118.20 3ddo s ALA 4149Ca 0.00 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.72 3ddo s ALA 4149Cb 0.00 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.38 3ddo s ALA 4149CO 0.00 -0.47 0.93 0.99 0.00 0.00 0.00 175.76 177.22 3ddo s THR 4150N -1.89 4.54 -0.03 0.00 2.01 -1.26 -4.88 115.64 114.13 3ddo s THR 4150Ca -0.08 1.08 0.07 0.00 0.31 0.00 0.00 61.69 63.07 3ddo s THR 4150Cb -0.00 -4.37 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 3ddo s THR 4150CO 0.04 -0.63 -0.24 -0.89 -0.69 0.00 0.00 174.62 172.21 3ddo s THR 4151N 3.58 1.91 -0.02 -0.82 2.01 -1.26 -0.65 115.64 120.39 3ddo s THR 4151Ca 0.38 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.45 3ddo s THR 4151Cb -0.11 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 3ddo s THR 4151CO 0.21 0.54 -0.26 -1.00 -0.69 0.00 0.00 174.62 173.42 3ddo s HIS 4152N -0.36 2.32 -0.13 4.92 3.76 -0.16 -4.97 115.29 120.67 3ddo s HIS 4152Ca 0.03 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.53 3ddo s HIS 4152Cb -0.11 -1.49 0.01 0.00 1.11 0.00 0.00 32.58 32.10 3ddo s HIS 4152CO 0.01 -0.04 -0.21 0.08 -0.85 0.00 0.00 174.74 173.73 3ddo s VAL 4153N -0.60 1.92 -2.11 -0.90 1.01 -1.26 -0.99 120.40 117.47 3ddo s VAL 4153Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3ddo s VAL 4153Cb -0.10 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3ddo s VAL 4153CO -0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3ddo n GLY 4154N 4.03 -0.59 3.83 4.51 0.00 -0.73 -4.96 105.19 111.27 3ddo n GLY 4154Ca -0.20 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 3ddo n GLY 4154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddo s VAL 4155N -3.40 4.87 -0.00 1.61 1.01 -1.26 -0.69 120.40 122.53 3ddo s VAL 4155Ca 0.00 1.01 0.08 0.00 0.00 0.00 0.00 61.98 63.07 3ddo s VAL 4155Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3ddo s VAL 4155CO 0.00 0.52 -0.26 -0.89 0.00 0.00 0.00 175.10 174.47 3ddo s THR 4156N -1.14 2.06 -0.21 3.92 2.01 -0.95 -0.45 115.64 120.87 3ddo s THR 4156Ca 0.28 -1.17 -0.19 0.00 0.31 0.00 0.00 61.69 60.92 3ddo s THR 4156Cb -0.18 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 3ddo s THR 4156CO 0.17 0.53 0.54 0.00 -0.69 0.00 0.00 174.62 175.16 3ddo s ALA 4157N -0.65 3.55 -0.33 7.40 0.00 -0.02 -0.21 121.76 131.49 3ddo s ALA 4157Ca 0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 3ddo s ALA 4157Cb -0.10 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.21 3ddo s ALA 4157CO -0.00 -0.53 0.08 0.45 0.00 0.00 0.00 175.76 175.76 3ddo s SER 4158N 1.24 5.19 -0.10 0.00 0.15 -0.52 -1.63 113.70 118.04 3ddo s SER 4158Ca 0.24 -1.24 -0.02 0.00 0.70 0.00 0.00 55.95 55.63 3ddo s SER 4158Cb -0.15 -1.82 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 3ddo s SER 4158CO 0.10 -0.32 -0.01 -0.55 1.20 0.00 0.00 173.24 173.65 3ddo s SER 4159N 1.41 5.09 0.00 5.45 0.15 0.07 -1.24 113.70 124.63 3ddo s SER 4159Ca -0.02 0.07 0.18 0.00 0.70 0.00 0.00 55.95 56.88 3ddo s SER 4159Cb -0.20 -1.49 0.86 0.00 -1.71 0.00 0.00 66.02 63.48 3ddo s SER 4159CO 0.01 0.33 1.54 0.47 1.20 0.00 0.00 173.24 176.80 3ddo n ASP 4160N 2.43 0.00 -4.20 5.45 9.92 -0.53 -4.34 116.55 125.28 3ddo n ASP 4160Ca -0.18 0.15 -0.17 0.00 -0.53 0.00 0.00 54.79 54.06 3ddo n ASP 4160Cb 0.53 -0.34 -0.11 0.00 -0.64 0.00 0.00 41.12 40.56 3ddo n ASP 4160CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ddo s THR 4161N -2.68 1.14 0.06 -3.53 -4.23 -1.26 -5.01 115.64 100.12 3ddo s THR 4161Ca 0.15 -1.59 0.09 0.00 -1.18 0.00 0.00 61.69 59.16 3ddo s THR 4161Cb 0.12 -1.36 -0.19 0.00 1.34 0.00 0.00 72.50 72.41 3ddo s THR 4161CO 0.28 -0.42 1.13 0.15 -0.54 0.00 0.00 174.62 175.23 3ddo h PHE 4162N 3.72 0.00 0.00 3.99 3.57 -1.97 -3.38 116.94 122.87 3ddo h PHE 4162Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3ddo h PHE 4162Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3ddo h PHE 4162CO 0.64 0.95 0.00 0.66 -2.23 0.00 0.00 178.31 178.33 3ddo n TYR 4163N -3.26 0.00 0.11 0.41 4.02 -1.26 -4.31 117.16 112.87 3ddo n TYR 4163Ca -0.04 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.86 3ddo n TYR 4163Cb 0.95 0.00 0.34 0.00 -0.02 0.00 0.00 39.34 40.61 3ddo n TYR 4163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3ddo h PRO 4164N 0.00 0.25 0.00 -0.72 0.13 -1.88 -1.00 132.00 128.79 3ddo h PRO 4164Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3ddo h PRO 4164Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 3ddo h PRO 4164CO 0.00 0.45 0.00 0.78 -0.23 0.00 0.00 178.00 179.00 3ddo h GLY 4165N 0.89 0.00 -2.79 1.56 0.00 -1.86 0.16 103.07 101.03 3ddo h GLY 4165Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3ddo h GLY 4165CO 0.03 0.00 0.05 -1.06 0.00 0.00 0.00 176.54 175.57 3ddo n GLN 4166N -2.83 3.79 -4.11 4.80 6.02 -0.80 -4.93 117.38 119.31 3ddo n GLN 4166Ca 0.00 -3.04 -0.29 0.00 -0.01 0.00 0.00 57.00 53.66 3ddo n GLN 4166Cb 0.25 -2.09 -0.04 0.00 1.02 0.00 0.00 30.24 29.38 3ddo n GLN 4166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3ddo n GLU 4167N -0.05 -2.63 -3.07 -1.09 2.13 0.05 -4.93 120.64 111.04 3ddo n GLU 4167Ca 0.29 0.32 -0.40 0.00 0.66 0.00 0.00 57.16 58.03 3ddo n GLU 4167Cb 1.12 -4.43 -0.05 0.00 0.27 0.00 0.00 31.44 28.36 3ddo n GLU 4167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3ddo s ARG 4168N -6.85 4.43 0.00 5.31 0.52 -0.44 -4.96 118.95 116.96 3ddo s ARG 4168Ca 0.18 0.84 0.17 0.00 -0.52 0.00 0.00 55.73 56.40 3ddo s ARG 4168Cb -0.10 -3.44 -0.13 0.00 0.52 0.00 0.00 34.95 31.80 3ddo s ARG 4168CO 0.93 0.09 0.77 0.66 0.02 0.00 0.00 175.30 177.76 3ddo n TYR 4169N 3.72 0.00 -1.78 -0.53 4.01 -1.26 -4.40 117.16 116.91 3ddo n TYR 4169Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 3ddo n TYR 4169Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.54 3ddo n TYR 4169CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3ddo n ASP 4170N -0.99 5.54 -3.83 7.72 3.85 -1.26 -4.19 116.55 123.38 3ddo n ASP 4170Ca 0.04 -2.86 -0.18 0.00 -0.71 0.00 0.00 54.79 51.08 3ddo n ASP 4170Cb 0.29 -1.58 -0.09 0.00 -1.35 0.00 0.00 41.12 38.40 3ddo n ASP 4170CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3ddo s THR 4171N 2.04 0.19 0.17 2.12 -4.23 -1.26 -5.02 115.64 109.64 3ddo s THR 4171Ca 0.51 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.86 3ddo s THR 4171Cb 0.14 -2.49 0.08 0.00 1.34 0.00 0.00 72.50 71.57 3ddo s THR 4171CO -0.06 0.00 1.68 0.22 -0.54 0.00 0.00 174.62 175.92 3ddo h TYR 4172N 2.23 -0.11 0.00 3.99 3.20 -1.99 -3.07 116.97 121.22 3ddo h TYR 4172Ca -0.31 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.38 3ddo h TYR 4172Cb 1.25 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.59 3ddo h TYR 4172CO 1.17 -0.13 -1.42 0.66 -1.64 0.00 0.00 178.16 176.80 3ddo h SER 4173N 0.05 0.00 -0.13 -2.11 4.64 -1.97 -3.47 113.55 110.56 3ddo h SER 4173Ca 0.20 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 3ddo h SER 4173Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3ddo h SER 4173CO -0.37 0.74 -0.05 0.61 -0.87 0.00 0.00 176.83 176.89 3ddo n GLY 4174N 1.43 0.50 3.62 -0.77 0.00 -1.16 -5.00 105.19 103.82 3ddo n GLY 4174Ca -0.11 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3ddo n GLY 4174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ddo s ARG 4175N -1.50 2.59 -0.09 1.61 3.52 -1.26 -4.91 118.95 118.91 3ddo s ARG 4175Ca 0.00 -0.71 0.03 0.00 -0.13 0.00 0.00 55.73 54.92 3ddo s ARG 4175Cb 0.00 -2.54 0.01 0.00 -1.56 0.00 0.00 34.95 30.86 3ddo s ARG 4175CO 0.00 0.60 -0.18 0.08 -0.81 0.00 0.00 175.30 174.99 3ddo s VAL 4176N -1.03 1.65 0.62 7.11 1.01 -1.26 -4.90 120.40 123.59 3ddo s VAL 4176Ca 0.18 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 3ddo s VAL 4176Cb -0.11 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3ddo s VAL 4176CO 0.09 0.47 1.08 0.55 0.00 0.00 0.00 175.10 177.28 3ddo n VAL 4177N 3.72 4.17 -0.32 2.92 3.14 -1.26 -4.56 118.33 126.14 3ddo n VAL 4177Ca -0.21 -0.50 0.08 0.00 -2.96 0.00 0.00 64.34 60.75 3ddo n VAL 4177Cb 0.52 -1.27 0.18 0.00 -1.06 0.00 0.00 33.84 32.22 3ddo n VAL 4177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3ddo h ARG 4178N 0.48 0.02 -0.80 1.45 2.43 -2.00 0.13 114.38 116.09 3ddo h ARG 4178Ca -0.49 -0.00 0.19 0.00 -0.81 0.00 0.00 59.98 58.86 3ddo h ARG 4178Cb 1.36 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.85 3ddo h ARG 4178CO 0.51 0.01 0.54 -0.09 -1.51 0.00 0.00 179.97 179.44 3ddo h ARG 4179N 0.02 0.27 -0.01 0.20 2.43 -2.02 -2.43 114.38 112.85 3ddo h ARG 4179Ca 0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 3ddo h ARG 4179Cb 0.87 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3ddo h ARG 4179CO -0.91 0.18 -0.50 1.19 -1.51 0.00 0.00 179.97 178.42 3ddo n PHE 4180N -4.44 0.00 -1.97 2.20 3.72 -0.02 -4.75 117.46 112.21 3ddo n PHE 4180Ca 0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.14 3ddo n PHE 4180Cb 0.68 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.19 3ddo n PHE 4180CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3ddo s LYS 4181N -2.13 4.22 0.00 -1.08 1.02 -0.87 -1.78 119.74 119.12 3ddo s LYS 4181Ca 0.10 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.38 3ddo s LYS 4181Cb 0.12 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 3ddo s LYS 4181CO 0.50 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 3ddo n GLY 4182N 3.89 0.94 0.22 -3.33 0.00 -1.26 -4.93 105.19 100.72 3ddo n GLY 4182Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 3ddo n GLY 4182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ddo h SER 4183N 0.00 0.63 -0.45 1.61 4.64 -1.64 -2.89 113.55 115.45 3ddo h SER 4183Ca 0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3ddo h SER 4183Cb 0.00 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 3ddo h SER 4183CO 0.00 1.01 0.28 -0.03 -0.87 0.00 0.00 176.83 177.22 3ddo h MET 4184N 0.47 0.60 -0.73 4.77 -1.53 -1.92 -0.08 114.93 116.52 3ddo h MET 4184Ca 0.03 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.24 3ddo h MET 4184Cb 1.00 -0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 31.88 3ddo h MET 4184CO 0.09 0.42 0.43 1.49 0.14 0.00 0.00 176.91 179.49 3ddo h GLU 4185N 0.60 0.98 -0.17 0.39 4.81 -1.96 0.19 114.58 119.42 3ddo h GLU 4185Ca 0.16 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3ddo h GLU 4185Cb -0.03 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3ddo h GLU 4185CO -0.03 0.69 0.05 0.93 -0.73 0.00 0.00 179.01 179.92 3ddo h GLU 4186N 1.00 0.26 -0.72 1.92 5.08 -1.15 -1.48 114.58 119.49 3ddo h GLU 4186Ca 0.26 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3ddo h GLU 4186Cb -0.04 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3ddo h GLU 4186CO -0.05 0.37 0.25 -1.49 -1.00 0.00 0.00 179.01 177.10 3ddo h TRP 4187N 0.10 1.12 -0.62 4.33 -0.00 -0.61 -1.94 115.95 118.32 3ddo h TRP 4187Ca 0.05 -0.09 0.04 0.00 -0.00 0.00 0.00 58.89 58.89 3ddo h TRP 4187Cb 0.22 -0.33 -0.05 0.00 -0.00 0.00 0.00 29.16 29.00 3ddo h TRP 4187CO -0.00 0.87 0.36 1.96 -0.00 0.00 0.00 178.44 181.63 3ddo h GLN 4188N 1.05 0.67 0.00 0.49 4.20 -0.78 -1.34 115.11 119.41 3ddo h GLN 4188Ca 0.24 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 3ddo h GLN 4188Cb 0.26 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3ddo h GLN 4188CO -0.01 0.44 -0.24 0.00 -0.67 0.00 0.00 178.83 178.35 3ddo h ALA 4189N 1.30 1.16 -0.17 3.87 0.00 -0.81 -1.55 119.26 123.06 3ddo h ALA 4189Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ddo h ALA 4189Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ddo h ALA 4189CO -0.14 0.29 0.00 -1.33 0.00 0.00 0.00 179.25 178.08 3ddo n MET 4190N -3.61 1.63 -0.89 0.00 2.81 -0.74 -4.92 117.12 111.40 3ddo n MET 4190Ca -0.01 -0.96 0.00 0.00 -1.81 0.00 0.00 57.70 54.93 3ddo n MET 4190Cb 0.37 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 3ddo n MET 4190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ddo n GLY 4191N 1.06 0.53 3.74 3.03 0.00 -0.58 -5.02 105.19 107.95 3ddo n GLY 4191Ca 0.15 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3ddo n GLY 4191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddo s VAL 4192N -2.00 2.76 0.08 1.61 1.01 -0.58 -4.63 120.40 118.64 3ddo s VAL 4192Ca 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 3ddo s VAL 4192Cb 0.00 -3.39 -0.28 0.00 0.00 0.00 0.00 36.38 32.71 3ddo s VAL 4192CO 0.00 0.09 1.14 0.24 0.00 0.00 0.00 175.10 176.57 3ddo h MET 4193N 5.42 0.25 -1.97 2.72 0.00 -1.09 -3.42 114.93 116.83 3ddo h MET 4193Ca -0.45 -0.42 0.22 0.00 0.00 0.00 0.00 59.70 59.04 3ddo h MET 4193Cb 1.21 0.16 -0.12 0.00 0.00 0.00 0.00 31.60 32.85 3ddo h MET 4193CO 0.80 1.20 0.62 0.54 0.00 0.00 0.00 176.91 180.07 3ddo s ASN 4194N -7.10 -0.17 -0.00 1.22 4.22 -1.26 -1.19 114.94 110.66 3ddo s ASN 4194Ca -0.04 -0.20 0.03 0.00 -2.14 0.00 0.00 52.86 50.51 3ddo s ASN 4194Cb 0.07 0.33 -0.03 0.00 1.28 0.00 0.00 41.25 42.90 3ddo s ASN 4194CO 0.88 -0.60 -0.06 -0.31 -2.04 0.00 0.00 177.10 174.97 3ddo s TYR 4195N -2.90 2.92 0.00 1.54 2.02 -0.84 -0.84 117.35 119.24 3ddo s TYR 4195Ca 0.11 -0.02 -0.00 0.00 -0.37 0.00 0.00 57.07 56.79 3ddo s TYR 4195Cb 0.01 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 3ddo s TYR 4195CO -0.02 0.38 0.01 -0.85 -1.57 0.00 0.00 175.55 173.50 3ddo n GLU 4196N 1.57 0.01 0.00 -0.62 -0.00 -0.64 -3.57 120.64 117.38 3ddo n GLU 4196Ca -0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 3ddo n GLU 4196Cb 0.53 0.03 0.00 0.00 -0.00 0.00 0.00 31.44 32.00 3ddo n GLU 4196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3ddo n MET 4197N -0.01 1.06 0.00 3.44 2.81 -1.26 -0.75 117.12 122.41 3ddo n MET 4197Ca -0.00 -0.86 0.00 0.00 -1.81 0.00 0.00 57.70 55.03 3ddo n MET 4197Cb 0.01 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 3ddo n MET 4197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3ddo n GLU 4198N -0.21 2.92 -0.05 0.03 4.71 -1.26 -3.43 120.64 123.35 3ddo n GLU 4198Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 3ddo n GLU 4198Cb 0.27 -0.74 0.09 0.00 -1.01 0.00 0.00 31.44 30.04 3ddo n GLU 4198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3ddo h SER 4199N 0.00 0.70 -0.60 1.62 4.64 -1.94 -1.92 113.55 116.06 3ddo h SER 4199Ca 0.00 -0.29 0.03 0.00 -0.47 0.00 0.00 61.79 61.06 3ddo h SER 4199Cb 0.00 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 3ddo h SER 4199CO 0.00 0.98 0.36 0.00 -0.87 0.00 0.00 176.83 177.30 3ddo h ALA 4200N 1.07 0.78 0.04 5.18 0.00 -1.87 0.24 119.26 124.70 3ddo h ALA 4200Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ddo h ALA 4200Cb 0.84 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ddo h ALA 4200CO 0.07 0.09 -0.02 1.15 0.00 0.00 0.00 179.25 180.54 3ddo h THR 4201N 0.71 1.16 -0.03 0.00 2.02 -1.89 -1.70 112.91 113.18 3ddo h THR 4201Ca 0.24 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.77 3ddo h THR 4201Cb 0.03 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3ddo h THR 4201CO -0.11 0.17 -0.07 0.25 0.37 0.00 0.00 175.52 176.13 3ddo h LEU 4202N -0.35 -0.21 -0.48 2.58 5.85 -1.04 -0.21 115.31 121.45 3ddo h LEU 4202Ca -0.01 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 3ddo h LEU 4202Cb 0.32 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3ddo h LEU 4202CO 0.01 -0.10 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.65 3ddo h LEU 4203N -0.11 0.97 -0.14 2.25 3.38 -0.58 -1.78 115.31 119.31 3ddo h LEU 4203Ca 0.04 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 3ddo h LEU 4203Cb 0.16 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3ddo h LEU 4203CO -0.10 1.19 -0.06 0.74 0.09 0.00 0.00 178.44 180.30 3ddo h THR 4204N 0.78 1.31 -0.20 0.22 2.02 -1.18 -0.60 112.91 115.26 3ddo h THR 4204Ca 0.09 -1.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.15 3ddo h THR 4204Cb 0.87 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 3ddo h THR 4204CO 0.08 0.31 -0.12 0.00 0.37 0.00 0.00 175.52 176.16 3ddo h MET 4205N -0.03 0.32 0.03 6.66 -0.00 -1.00 -2.06 114.93 118.84 3ddo h MET 4205Ca 0.03 -0.08 -0.08 0.00 -0.00 0.00 0.00 59.70 59.58 3ddo h MET 4205Cb 0.51 -0.04 0.01 0.00 -0.00 0.00 0.00 31.60 32.07 3ddo h MET 4205CO 0.02 0.44 -0.33 0.00 -0.00 0.00 0.00 176.91 177.04 3ddo h ALA 4207N 0.18 1.33 -0.08 0.00 0.00 -1.04 -1.52 119.26 118.13 3ddo h ALA 4207Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ddo h ALA 4207Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ddo h ALA 4207CO 0.06 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 3ddo n SER 4208N -3.65 2.41 -0.25 0.00 3.41 -0.78 -4.32 113.62 110.44 3ddo n SER 4208Ca -0.02 -1.80 0.02 0.00 -0.26 0.00 0.00 58.87 56.81 3ddo n SER 4208Cb 0.18 -0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3ddo n SER 4208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ddo n GLN 4209N 0.86 0.61 -1.12 4.33 6.02 -0.80 -5.01 117.38 122.27 3ddo n GLN 4209Ca 0.17 -1.32 -0.04 0.00 -0.01 0.00 0.00 57.00 55.80 3ddo n GLN 4209Cb 0.49 -0.78 -0.02 0.00 1.02 0.00 0.00 30.24 30.95 3ddo n GLN 4209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ddo n GLY 4210N -0.39 0.71 3.81 1.08 0.00 -1.03 -5.03 105.19 104.34 3ddo n GLY 4210Ca 0.04 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 3ddo n GLY 4210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddo s LEU 4211N -0.96 3.94 -0.13 0.99 1.43 -0.64 -5.06 118.68 118.25 3ddo s LEU 4211Ca 0.00 0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 3ddo s LEU 4211Cb 0.00 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 3ddo s LEU 4211CO 0.00 0.17 0.26 -0.13 0.23 0.00 0.00 176.35 176.88 3ddo s ARG 4212N -2.44 4.06 0.02 1.70 0.52 -0.37 -4.00 118.95 118.43 3ddo s ARG 4212Ca 0.31 0.07 0.01 0.00 -0.52 0.00 0.00 55.73 55.59 3ddo s ARG 4212Cb -0.12 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 3ddo s ARG 4212CO 0.23 0.41 -0.05 0.00 0.02 0.00 0.00 175.30 175.91 3ddo s ALA 4213N -0.03 0.31 0.16 2.13 0.00 -1.26 -0.05 121.76 123.03 3ddo s ALA 4213Ca 0.16 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.63 3ddo s ALA 4213Cb -0.13 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3ddo s ALA 4213CO 0.05 -0.04 0.06 0.20 0.00 0.00 0.00 175.76 176.02 3ddo s GLY 4214N -1.03 1.18 -0.07 0.00 0.00 -0.40 -0.79 107.32 106.21 3ddo s GLY 4214Ca -0.08 -1.57 -0.03 0.00 0.00 0.00 0.00 44.72 43.04 3ddo s GLY 4214CO -0.00 -1.43 0.14 -0.29 0.00 0.00 0.00 173.10 171.52 3ddo s MET 4215N -4.03 0.06 0.03 2.90 -2.45 -1.26 -1.14 119.30 113.40 3ddo s MET 4215Ca 0.27 0.44 0.03 0.00 -1.25 0.00 0.00 55.69 55.18 3ddo s MET 4215Cb 0.07 -0.22 -0.02 0.00 1.25 0.00 0.00 34.83 35.91 3ddo s MET 4215CO 0.05 -0.22 -0.10 0.54 1.05 0.00 0.00 175.02 176.34 3ddo s VAL 4216N 1.61 0.77 0.01 10.11 0.11 -0.36 -1.83 120.40 130.83 3ddo s VAL 4216Ca -0.04 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.10 3ddo s VAL 4216Cb -0.12 -0.73 -0.00 0.00 -1.53 0.00 0.00 36.38 34.00 3ddo s VAL 4216CO -0.06 -0.08 0.13 0.00 -3.33 0.00 0.00 175.10 171.76 3ddo s ALA 4217N -0.83 -0.26 -0.13 1.54 0.00 -0.23 -1.14 121.76 120.71 3ddo s ALA 4217Ca -0.02 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 3ddo s ALA 4217Cb -0.07 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 3ddo s ALA 4217CO 0.01 -0.24 0.25 0.20 0.00 0.00 0.00 175.76 175.97 3ddo s GLY 4218N -1.62 2.21 -0.34 0.00 0.00 -0.67 -0.81 107.32 106.10 3ddo s GLY 4218Ca -0.12 -0.50 -0.28 0.00 0.00 0.00 0.00 44.72 43.82 3ddo s GLY 4218CO -0.00 0.17 1.06 0.14 0.00 0.00 0.00 173.10 174.46 3ddo s VAL 4219N -0.10 4.49 -1.00 1.40 1.01 -0.49 -1.64 120.40 124.08 3ddo s VAL 4219Ca 0.16 1.60 0.14 0.00 0.00 0.00 0.00 61.98 63.88 3ddo s VAL 4219Cb -0.13 -4.42 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 3ddo s VAL 4219CO 0.04 -0.54 0.69 2.30 0.00 0.00 0.00 175.10 177.59 3ddo n ILE 4220N 5.99 0.00 -3.49 2.22 -5.35 -0.65 -1.06 119.36 117.01 3ddo n ILE 4220Ca 0.11 -0.27 -0.14 0.00 -0.27 0.00 0.00 62.75 62.19 3ddo n ILE 4220Cb 0.47 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 39.42 3ddo n ILE 4220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3ddo s VAL 4221N -2.02 0.01 -0.16 7.28 0.11 -1.24 -4.64 120.40 119.74 3ddo s VAL 4221Ca 0.09 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 3ddo s VAL 4221Cb 0.11 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 3ddo s VAL 4221CO 0.46 -0.04 -0.15 0.21 -3.33 0.00 0.00 175.10 172.26 3ddo s ASN 4222N -2.15 2.85 0.42 3.54 3.84 -1.26 -1.62 114.94 120.56 3ddo s ASN 4222Ca -0.04 -0.57 0.29 0.00 0.21 0.00 0.00 52.86 52.75 3ddo s ASN 4222Cb -0.01 -1.24 1.50 0.00 -0.55 0.00 0.00 41.25 40.96 3ddo s ASN 4222CO -0.04 -0.06 1.88 0.03 -2.79 0.00 0.00 177.10 176.12 3ddo h ARG 4223N 8.02 0.00 0.00 0.43 2.47 -1.48 -2.49 114.38 121.34 3ddo h ARG 4223Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 3ddo h ARG 4223Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 3ddo h ARG 4223CO 0.54 0.00 -1.49 0.25 0.56 0.00 0.00 179.97 179.83 3ddo n THR 4224N -2.52 0.22 -3.66 2.04 -2.24 -1.26 -4.96 114.28 101.90 3ddo n THR 4224Ca -0.01 -0.45 -0.32 0.00 -2.27 0.00 0.00 64.05 61.00 3ddo n THR 4224Cb 0.08 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.24 3ddo n THR 4224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ddo s GLN 4225N -3.40 3.63 0.10 -0.78 -0.21 -0.94 -5.02 119.66 113.04 3ddo s GLN 4225Ca -0.03 -0.06 0.12 0.00 0.02 0.00 0.00 55.36 55.42 3ddo s GLN 4225Cb 0.13 -2.86 -0.14 0.00 1.00 0.00 0.00 33.01 31.14 3ddo s GLN 4225CO 0.85 0.48 1.05 -0.56 -2.12 0.00 0.00 175.29 174.99 3ddo h GLN 4226N 2.93 0.00 -5.94 2.91 3.07 -1.93 -3.45 115.11 112.71 3ddo h GLN 4226Ca -0.46 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 57.69 3ddo h GLN 4226Cb 1.17 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.66 3ddo h GLN 4226CO 0.72 0.59 0.50 -1.21 0.09 0.00 0.00 178.83 179.52 3ddo s GLU 4227N -2.79 4.26 -0.28 0.06 2.02 -1.26 -5.03 118.70 115.68 3ddo s GLU 4227Ca -0.01 1.07 -0.09 0.00 0.02 0.00 0.00 54.97 55.96 3ddo s GLU 4227Cb 0.09 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 3ddo s GLU 4227CO 0.80 -0.44 0.14 0.42 0.02 0.00 0.00 175.26 176.20 3ddo s ILE 4228N 2.55 4.75 1.06 -1.63 1.01 -1.26 -4.89 121.20 122.79 3ddo s ILE 4228Ca 0.39 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.73 3ddo s ILE 4228Cb -0.16 -3.31 0.13 0.00 0.01 0.00 0.00 42.46 39.13 3ddo s ILE 4228CO 0.10 0.20 0.51 -2.65 0.00 0.00 0.00 174.94 173.10 3ddo n PRO 4229N 4.99 -1.26 -2.87 2.79 -0.02 -1.26 -5.01 135.00 132.35 3ddo n PRO 4229Ca -0.15 -0.33 -0.20 0.00 -2.02 0.00 0.00 63.50 60.80 3ddo n PRO 4229Cb 0.51 -1.95 0.04 0.00 -0.02 0.00 0.00 33.50 32.08 3ddo n PRO 4229CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ddo s ASN 4230N -2.13 5.24 0.00 2.55 4.22 -1.26 -4.95 114.94 118.60 3ddo s ASN 4230Ca 0.61 -0.44 0.00 0.00 -2.14 0.00 0.00 52.86 50.89 3ddo s ASN 4230Cb -0.19 -0.35 0.00 0.00 1.28 0.00 0.00 41.25 41.98 3ddo s ASN 4230CO 0.65 -1.16 1.34 0.00 -2.04 0.00 0.00 177.10 175.89 3ddo n ALA 4231N -2.21 3.17 0.07 3.54 0.00 -1.26 -2.65 120.51 121.17 3ddo n ALA 4231Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3ddo n ALA 4231Cb 0.60 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3ddo n ALA 4231CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ddo n GLU 4232N 1.62 0.00 0.02 0.00 2.13 -1.26 -4.69 120.64 118.46 3ddo n GLU 4232Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 3ddo n GLU 4232Cb 0.34 -0.29 0.48 0.00 0.27 0.00 0.00 31.44 32.24 3ddo n GLU 4232CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3ddo h THR 4233N 0.00 1.04 -0.14 6.31 2.02 -1.93 -2.02 112.91 118.19 3ddo h THR 4233Ca 0.00 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3ddo h THR 4233Cb 0.00 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3ddo h THR 4233CO 0.00 0.08 -0.33 0.24 0.37 0.00 0.00 175.52 175.87 3ddo h MET 4234N 0.43 0.28 -0.29 6.66 2.86 -1.81 -2.08 114.93 120.98 3ddo h MET 4234Ca 0.16 -0.12 -0.18 0.00 -2.06 0.00 0.00 59.70 57.51 3ddo h MET 4234Cb 0.10 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3ddo h MET 4234CO -0.04 0.59 -0.50 0.87 1.06 0.00 0.00 176.91 178.89 3ddo h LYS 4235N 0.25 0.85 -0.44 1.72 1.79 -1.65 -2.08 116.57 117.01 3ddo h LYS 4235Ca 0.03 -0.53 0.03 0.00 -2.18 0.00 0.00 60.65 58.00 3ddo h LYS 4235Cb 0.71 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 3ddo h LYS 4235CO 0.05 1.16 0.23 0.37 -1.08 0.00 0.00 179.45 180.19 3ddo h GLN 4236N 0.63 0.45 -0.54 3.15 4.15 -1.29 -1.37 115.11 120.30 3ddo h GLN 4236Ca 0.02 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.46 3ddo h GLN 4236Cb 1.11 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.65 3ddo h GLN 4236CO 0.11 0.30 0.28 1.15 -1.93 0.00 0.00 178.83 178.74 3ddo h THR 4237N 0.47 0.95 -0.11 2.39 2.02 -1.31 -1.88 112.91 115.44 3ddo h THR 4237Ca 0.18 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3ddo h THR 4237Cb 0.06 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 66.79 3ddo h THR 4237CO -0.11 0.10 -0.25 -0.08 0.37 0.00 0.00 175.52 175.54 3ddo h GLU 4238N 0.53 -0.32 -0.80 6.66 4.81 -0.90 -2.06 114.58 122.51 3ddo h GLU 4238Ca 0.24 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 3ddo h GLU 4238Cb 0.15 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 3ddo h GLU 4238CO -0.17 -0.21 0.52 0.77 -0.73 0.00 0.00 179.01 179.19 3ddo h SER 4239N -0.33 0.69 0.59 1.04 0.02 -0.81 -0.46 113.55 114.29 3ddo h SER 4239Ca 0.10 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3ddo h SER 4239Cb 0.47 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.89 3ddo h SER 4239CO -0.30 0.42 -0.28 -0.74 -1.14 0.00 0.00 176.83 174.79 3ddo h HIS 4240N 0.77 -0.74 -0.39 3.45 -0.00 -0.72 -1.08 115.15 116.44 3ddo h HIS 4240Ca 0.36 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.72 3ddo h HIS 4240Cb 0.38 0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 28.01 3ddo h HIS 4240CO -0.00 -0.43 0.26 0.00 -0.00 0.00 0.00 177.93 177.76 3ddo h ALA 4241N -0.51 1.73 -0.52 5.26 0.00 -0.97 -2.18 119.26 122.07 3ddo h ALA 4241Ca -0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3ddo h ALA 4241Cb 0.64 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ddo h ALA 4241CO 0.13 0.25 -0.08 0.28 0.00 0.00 0.00 179.25 179.83 3ddo h VAL 4242N 0.52 1.27 -0.91 0.00 2.07 -0.91 -1.07 116.25 117.21 3ddo h VAL 4242Ca 0.14 -1.21 0.06 0.00 0.82 0.00 0.00 66.70 66.51 3ddo h VAL 4242Cb -0.05 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3ddo h VAL 4242CO -0.03 0.43 0.58 0.11 0.02 0.00 0.00 177.57 178.67 3ddo h LYS 4243N 0.83 1.03 -0.44 1.57 1.57 -0.62 -2.46 116.57 118.06 3ddo h LYS 4243Ca 0.14 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3ddo h LYS 4243Cb 0.63 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3ddo h LYS 4243CO 0.04 0.68 -0.00 0.82 -0.57 0.00 0.00 179.45 180.42 3ddo h ILE 4244N 1.06 1.26 -0.34 1.86 2.04 -0.85 -1.47 117.51 121.08 3ddo h ILE 4244Ca 0.39 -1.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 3ddo h ILE 4244Cb 0.14 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3ddo h ILE 4244CO -0.16 0.36 -0.17 1.62 0.00 0.00 0.00 178.15 179.79 3ddo h VAL 4245N 0.62 1.26 -0.26 1.67 3.04 -0.89 0.59 116.25 122.27 3ddo h VAL 4245Ca 0.12 -1.19 -0.10 0.00 -1.01 0.00 0.00 66.70 64.52 3ddo h VAL 4245Cb 0.50 1.19 -0.00 0.00 -2.01 0.00 0.00 31.29 30.96 3ddo h VAL 4245CO 0.02 0.39 -0.24 0.58 -1.01 0.00 0.00 177.57 177.31 3ddo h VAL 4246N 0.56 1.31 -0.64 1.51 2.07 -1.36 -0.93 116.25 118.76 3ddo h VAL 4246Ca 0.09 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 3ddo h VAL 4246Cb 0.61 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3ddo h VAL 4246CO 0.04 0.44 0.25 -0.08 0.02 0.00 0.00 177.57 178.25 3ddo h GLU 4247N 0.36 0.94 -0.49 1.57 4.57 -1.01 -2.44 114.58 118.08 3ddo h GLU 4247Ca 0.04 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 3ddo h GLU 4247Cb 0.80 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 3ddo h GLU 4247CO 0.06 0.77 0.11 0.00 -1.18 0.00 0.00 179.01 178.77 3ddo h ALA 4248N 1.35 0.65 -0.92 2.92 0.00 -0.74 -2.68 119.26 119.84 3ddo h ALA 4248Ca 0.22 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.06 3ddo h ALA 4248Cb 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3ddo h ALA 4248CO -0.02 0.35 0.59 0.00 0.00 0.00 0.00 179.25 180.17 3ddo h ALA 4249N 0.98 1.78 -0.33 0.00 0.00 -0.71 -0.79 119.26 120.20 3ddo h ALA 4249Ca 0.15 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3ddo h ALA 4249Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ddo h ALA 4249CO 0.00 -0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.47 3ddo h ARG 4250N 0.74 0.00 -0.01 0.00 3.08 -1.11 -0.97 114.38 116.11 3ddo h ARG 4250Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 3ddo h ARG 4250Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3ddo h ARG 4250CO -0.22 0.00 -0.13 0.54 -1.07 0.00 0.00 179.97 179.08 3ddo n ARG 4251N -4.32 1.00 -0.02 0.04 1.74 -0.30 -4.01 116.66 110.78 3ddo n ARG 4251Ca 0.05 -0.50 0.03 0.00 -0.77 0.00 0.00 57.85 56.67 3ddo n ARG 4251Cb 0.43 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.42 3ddo n ARG 4251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ddo n LEU 4252N -0.57 1.77 0.00 0.55 4.77 -0.38 -5.04 117.00 118.11 3ddo n LEU 4252Ca 0.15 -1.23 0.12 0.00 -0.03 0.00 0.00 56.01 55.02 3ddo n LEU 4252Cb 0.31 -0.03 0.73 0.00 -2.33 0.00 0.00 43.42 42.10 3ddo n LEU 4252CO 0.22 0.39 0.91 0.18 -1.33 0.00 0.00 177.39 177.77