#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwu s SER 4004N 0.00 -0.88 0.19 3.14 0.15 -1.26 -4.45 113.70 110.59 2hwu s SER 4004Ca 0.00 1.41 0.25 0.00 0.70 0.00 0.00 55.95 58.31 2hwu s SER 4004Cb 0.00 1.37 0.47 0.00 -1.71 0.00 0.00 66.02 66.16 2hwu s SER 4004CO 0.00 -0.23 1.48 0.44 1.20 0.00 0.00 173.24 176.13 2hwu h ASP 4005N 7.14 0.00 -2.08 5.45 3.32 -1.06 -3.47 116.42 125.72 2hwu h ASP 4005Ca -0.30 -0.10 -0.58 0.00 0.02 0.00 0.00 57.03 56.08 2hwu h ASP 4005Cb 1.21 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 2hwu h ASP 4005CO 0.18 0.05 -0.65 0.68 -1.72 0.00 0.00 179.24 177.77 2hwu s VAL 4006N -3.17 2.90 0.11 -1.35 -7.23 -1.18 -5.05 120.40 105.44 2hwu s VAL 4006Ca 0.07 -2.03 0.09 0.00 -1.81 0.00 0.00 61.98 58.30 2hwu s VAL 4006Cb 0.12 -2.72 -0.13 0.00 0.56 0.00 0.00 36.38 34.21 2hwu s VAL 4006CO 0.68 -0.30 1.37 0.15 -0.31 0.00 0.00 175.10 176.69 2hwu h PHE 4007N 1.92 0.00 0.00 2.82 3.57 -1.94 -3.39 116.94 119.92 2hwu h PHE 4007Ca -0.43 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 60.98 2hwu h PHE 4007Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 2hwu h PHE 4007CO 0.72 0.85 -1.34 0.72 -2.23 0.00 0.00 178.31 177.03 2hwu n HIS 4008N -3.42 0.00 0.27 0.41 8.25 -1.26 -4.76 115.22 114.71 2hwu n HIS 4008Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 2hwu n HIS 4008Cb 0.84 -0.22 0.62 0.00 1.12 0.00 0.00 29.99 32.35 2hwu n HIS 4008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2hwu h LEU 4009N -0.13 0.00 -0.98 2.41 3.38 -1.91 -3.44 115.31 114.64 2hwu h LEU 4009Ca -0.14 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.59 2hwu h LEU 4009Cb 1.16 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.99 2hwu h LEU 4009CO -0.07 0.00 -0.41 0.61 0.09 0.00 0.00 178.44 178.67 2hwu n GLY 4010N 0.17 0.06 3.22 0.83 0.00 -1.26 -4.66 105.19 103.55 2hwu n GLY 4010Ca 0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2hwu n GLY 4010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hwu s LEU 4011N -4.72 2.27 0.17 0.99 1.43 -1.26 -4.74 118.68 112.83 2hwu s LEU 4011Ca 0.32 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2hwu s LEU 4011Cb -0.14 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 2hwu s LEU 4011CO 0.43 -0.01 0.13 0.42 0.23 0.00 0.00 176.35 177.56 2hwu s THR 4012N -1.19 4.47 0.51 5.49 -4.23 -1.26 -0.37 115.64 119.06 2hwu s THR 4012Ca 0.02 -1.09 0.25 0.00 -1.18 0.00 0.00 61.69 59.68 2hwu s THR 4012Cb -0.10 -3.28 0.41 0.00 1.34 0.00 0.00 72.50 70.87 2hwu s THR 4012CO 0.03 -0.11 1.95 0.50 -0.54 0.00 0.00 174.62 176.45 2hwu h LYS 4013N 2.40 0.08 -0.27 3.99 3.64 -1.96 0.56 116.57 125.02 2hwu h LYS 4013Ca -0.48 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.79 2hwu h LYS 4013Cb 1.20 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2hwu h LYS 4013CO 0.63 0.06 -0.29 -0.97 -2.27 0.00 0.00 179.45 176.61 2hwu h ASN 4014N 0.09 0.56 -0.44 4.20 -1.24 -1.94 -3.17 115.58 113.62 2hwu h ASN 4014Ca 0.32 -0.20 0.10 0.00 0.71 0.00 0.00 56.30 57.22 2hwu h ASN 4014Cb 1.14 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 40.02 2hwu h ASN 4014CO -0.03 0.82 0.31 0.44 -1.29 0.00 0.00 177.43 177.68 2hwu h ASP 4015N 0.47 0.14 1.50 1.15 3.45 -1.27 -2.10 116.42 119.76 2hwu h ASP 4015Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 2hwu h ASP 4015Cb 0.74 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 2hwu h ASP 4015CO 0.06 0.08 0.00 -0.07 -1.57 0.00 0.00 179.24 177.74 2hwu h LEU 4016N 0.15 0.00 -1.52 1.55 4.07 -1.61 -3.48 115.31 114.48 2hwu h LEU 4016Ca 0.21 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.73 2hwu h LEU 4016Cb 0.62 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.38 2hwu h LEU 4016CO -0.03 0.00 -0.81 0.00 -1.08 0.00 0.00 178.44 176.52 2hwu n GLN 4017N -2.86 -5.05 -0.81 1.13 1.13 -0.79 -2.24 117.38 107.89 2hwu n GLN 4017Ca 0.03 0.60 0.00 0.00 -1.94 0.00 0.00 57.00 55.69 2hwu n GLN 4017Cb 0.42 -5.25 0.00 0.00 0.11 0.00 0.00 30.24 25.52 2hwu n GLN 4017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2hwu n GLY 4018N -1.64 1.17 3.63 1.08 0.00 -1.26 -4.61 105.19 103.55 2hwu n GLY 4018Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2hwu n GLY 4018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwu n ALA 4019N 0.64 0.38 -0.32 4.61 0.00 -0.95 -4.91 120.51 119.96 2hwu n ALA 4019Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2hwu n ALA 4019Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.33 2hwu n ALA 4019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2hwu n GLN 4020N 0.10 1.08 -4.88 0.00 6.02 -1.26 -4.28 117.38 114.15 2hwu n GLN 4020Ca 0.09 -0.13 -0.26 0.00 -0.01 0.00 0.00 57.00 56.69 2hwu n GLN 4020Cb 0.39 -0.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.99 2hwu n GLN 4020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2hwu s LEU 4021N -0.38 1.96 -0.07 1.08 0.20 -1.26 -0.67 118.68 119.54 2hwu s LEU 4021Ca 0.00 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.48 2hwu s LEU 4021Cb 0.00 -0.99 0.02 0.00 -0.43 0.00 0.00 46.19 44.78 2hwu s LEU 4021CO 0.00 0.18 -0.11 0.00 -0.29 0.00 0.00 176.35 176.13 2hwu s ALA 4022N -0.11 1.24 -0.07 5.97 0.00 -0.01 -1.97 121.76 126.82 2hwu s ALA 4022Ca -0.01 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 2hwu s ALA 4022Cb -0.10 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2hwu s ALA 4022CO 0.01 0.03 0.96 0.42 0.00 0.00 0.00 175.76 177.19 2hwu s ILE 4023N 0.83 4.84 -0.60 0.00 1.01 0.93 -0.92 121.20 127.28 2hwu s ILE 4023Ca -0.11 1.98 0.03 0.00 0.00 0.00 0.00 60.65 62.55 2hwu s ILE 4023Cb -0.15 -4.29 0.15 0.00 0.01 0.00 0.00 42.46 38.18 2hwu s ILE 4023CO 0.02 0.08 0.37 0.68 0.00 0.00 0.00 174.94 176.09 2hwu s VAL 4024N 1.56 2.89 0.79 2.92 -7.23 0.82 -1.64 120.40 120.52 2hwu s VAL 4024Ca 0.48 -3.60 -0.11 0.00 -1.81 0.00 0.00 61.98 56.94 2hwu s VAL 4024Cb -0.19 -2.94 0.06 0.00 0.56 0.00 0.00 36.38 33.87 2hwu s VAL 4024CO 0.21 -0.88 1.09 -2.16 -0.31 0.00 0.00 175.10 173.05 2hwu s PRO 4025N -0.67 2.18 0.00 4.82 0.04 -1.21 -3.28 135.00 136.88 2hwu s PRO 4025Ca 0.20 0.83 0.24 0.00 0.04 0.00 0.00 61.00 62.31 2hwu s PRO 4025Cb -0.18 -1.91 0.29 0.00 0.04 0.00 0.00 34.50 32.74 2hwu s PRO 4025CO -0.06 -1.60 1.27 0.41 0.04 0.00 0.00 177.00 177.06 2hwu n GLY 4026N -1.77 -1.08 3.16 0.56 0.00 -1.25 -0.98 105.19 103.83 2hwu n GLY 4026Ca 0.07 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 2hwu n GLY 4026CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hwu s ASP 4027N -2.94 3.93 0.61 1.61 3.68 -1.26 -2.75 116.67 119.55 2hwu s ASP 4027Ca 0.11 -0.85 0.33 0.00 2.13 0.00 0.00 52.55 54.28 2hwu s ASP 4027Cb 0.17 -1.59 1.94 0.00 -1.45 0.00 0.00 42.92 42.00 2hwu s ASP 4027CO 0.73 -0.09 2.27 1.55 0.13 0.00 0.00 175.17 179.76 2hwu h PRO 4028N 7.96 0.00 0.00 4.34 0.13 -1.88 -1.31 132.00 141.24 2hwu h PRO 4028Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2hwu h PRO 4028Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2hwu h PRO 4028CO 0.58 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.22 2hwu h GLU 4029N 0.00 0.00 -0.00 0.86 5.08 -1.95 -3.20 114.58 115.37 2hwu h GLU 4029Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2hwu h GLU 4029Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2hwu h GLU 4029CO -0.00 0.00 -0.53 0.54 -1.00 0.00 0.00 179.01 178.02 2hwu n ARG 4030N -2.56 0.23 -0.07 2.33 3.00 -0.50 -4.23 116.66 114.86 2hwu n ARG 4030Ca 0.05 -0.15 -0.09 0.00 -0.01 0.00 0.00 57.85 57.65 2hwu n ARG 4030Cb 0.47 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.41 2hwu n ARG 4030CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2hwu h VAL 4031N 0.37 1.02 0.06 1.55 2.07 -1.54 -2.43 116.25 117.35 2hwu h VAL 4031Ca 0.00 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2hwu h VAL 4031Cb 0.51 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2hwu h VAL 4031CO 0.00 0.05 -0.03 -0.08 0.02 0.00 0.00 177.57 177.53 2hwu h GLU 4032N 0.30 -0.09 -0.31 1.57 4.81 -1.79 -1.07 114.58 118.00 2hwu h GLU 4032Ca 0.10 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2hwu h GLU 4032Cb 0.01 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 2hwu h GLU 4032CO -0.06 -0.06 -0.11 0.87 -0.73 0.00 0.00 179.01 178.92 2hwu h LYS 4033N -0.09 -0.05 0.00 1.92 1.57 -1.77 0.13 116.57 118.29 2hwu h LYS 4033Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hwu h LYS 4033Cb 0.07 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2hwu h LYS 4033CO 0.01 -0.03 -0.00 0.82 -0.57 0.00 0.00 179.45 179.68 2hwu h ILE 4034N -0.05 1.09 0.00 1.86 2.04 -1.34 -2.61 117.51 118.51 2hwu h ILE 4034Ca 0.16 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2hwu h ILE 4034Cb 0.29 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2hwu h ILE 4034CO -0.35 0.07 -0.04 0.00 0.00 0.00 0.00 178.15 177.83 2hwu h ALA 4035N 0.88 1.82 0.00 1.87 0.00 -0.93 -2.27 119.26 120.64 2hwu h ALA 4035Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hwu h ALA 4035Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2hwu h ALA 4035CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.30 2hwu n ALA 4036N -2.48 1.45 1.05 0.00 0.00 0.44 -2.18 120.51 118.78 2hwu n ALA 4036Ca -0.03 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.67 2hwu n ALA 4036Cb 0.12 -1.37 0.51 0.00 0.00 0.00 0.00 19.45 18.71 2hwu n ALA 4036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hwu n LEU 4037N -2.27 0.20 -4.95 0.00 4.77 -0.85 -4.89 117.00 109.01 2hwu n LEU 4037Ca 0.01 0.29 -0.24 0.00 -0.03 0.00 0.00 56.01 56.04 2hwu n LEU 4037Cb 0.16 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 2hwu n LEU 4037CO 0.16 0.05 0.15 -0.04 -1.33 0.00 0.00 177.39 176.38 2hwu s MET 4038N -2.94 2.25 0.39 3.23 -1.94 -0.93 -5.13 119.30 114.24 2hwu s MET 4038Ca 0.15 -1.93 -0.09 0.00 -1.71 0.00 0.00 55.69 52.12 2hwu s MET 4038Cb 0.19 -2.26 -0.06 0.00 2.01 0.00 0.00 34.83 34.71 2hwu s MET 4038CO 0.58 -0.73 0.73 -0.51 -0.01 0.00 0.00 175.02 175.08 2hwu s ASP 4039N -4.42 6.47 -1.43 3.03 1.01 0.32 -4.46 116.67 117.20 2hwu s ASP 4039Ca 0.42 1.02 -0.02 0.00 0.71 0.00 0.00 52.55 54.68 2hwu s ASP 4039Cb -0.03 -2.28 0.01 0.00 1.01 0.00 0.00 42.92 41.63 2hwu s ASP 4039CO 0.27 -0.38 0.46 0.29 0.21 0.00 0.00 175.17 176.01 2hwu n LYS 4040N -1.36 -3.38 -2.31 8.23 5.02 -1.26 0.61 118.16 123.70 2hwu n LYS 4040Ca 0.01 0.41 -0.43 0.00 -2.02 0.00 0.00 58.31 56.29 2hwu n LYS 4040Cb 0.54 -4.61 -0.02 0.00 -0.02 0.00 0.00 35.03 30.92 2hwu n LYS 4040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hwu s PRO 4041N -6.56 3.65 -0.13 1.97 0.04 -1.26 -4.36 135.00 128.34 2hwu s PRO 4041Ca 0.07 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2hwu s PRO 4041Cb -0.04 -4.01 -0.01 0.00 0.04 0.00 0.00 34.50 30.49 2hwu s PRO 4041CO 0.89 -1.47 -0.15 0.08 0.04 0.00 0.00 177.00 176.39 2hwu s VAL 4042N 5.31 2.80 0.18 -0.36 1.01 0.39 -5.00 120.40 124.74 2hwu s VAL 4042Ca 0.63 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 2hwu s VAL 4042Cb -0.16 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 2hwu s VAL 4042CO 0.30 0.52 1.36 -0.75 0.00 0.00 0.00 175.10 176.54 2hwu s LYS 4043N 0.50 4.34 -0.15 2.72 2.20 -1.26 -0.81 119.74 127.28 2hwu s LYS 4043Ca -0.10 2.11 -0.11 0.00 -0.36 0.00 0.00 55.97 57.50 2hwu s LYS 4043Cb -0.16 -3.19 -0.07 0.00 -1.51 0.00 0.00 37.83 32.90 2hwu s LYS 4043CO 0.04 -0.35 -0.26 1.28 -0.36 0.00 0.00 175.35 175.71 2hwu n LEU 4044N 3.01 1.56 -3.49 5.43 4.77 -0.59 -4.88 117.00 122.80 2hwu n LEU 4044Ca 0.08 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 2hwu n LEU 4044Cb 0.42 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2hwu n LEU 4044CO 0.59 0.01 0.49 0.00 -1.33 0.00 0.00 177.39 177.15 2hwu s ALA 4045N -2.51 -1.74 -0.17 -1.18 0.00 -0.85 -5.02 121.76 110.30 2hwu s ALA 4045Ca -0.25 1.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 2hwu s ALA 4045Cb 0.07 0.28 0.06 0.00 0.00 0.00 0.00 23.12 23.53 2hwu s ALA 4045CO 0.33 -0.54 0.07 0.45 0.00 0.00 0.00 175.76 176.07 2hwu s SER 4046N -1.88 2.45 -0.03 0.00 0.15 -1.26 -0.48 113.70 112.65 2hwu s SER 4046Ca -0.04 -0.63 0.01 0.00 0.70 0.00 0.00 55.95 55.99 2hwu s SER 4046Cb -0.01 -0.37 0.02 0.00 -1.71 0.00 0.00 66.02 63.95 2hwu s SER 4046CO -0.01 -0.32 -0.03 -1.00 1.20 0.00 0.00 173.24 173.07 2hwu s HIS 4047N 2.03 0.52 0.00 3.44 3.76 -0.67 -5.00 115.29 119.38 2hwu s HIS 4047Ca 0.01 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 2hwu s HIS 4047Cb -0.16 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.05 2hwu s HIS 4047CO -0.08 -0.12 0.00 0.54 -0.85 0.00 0.00 174.74 174.22 2hwu n ARG 4048N 3.82 0.00 -0.30 1.40 1.74 -1.26 -0.27 116.66 121.78 2hwu n ARG 4048Ca -0.23 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.91 2hwu n ARG 4048Cb 0.52 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.17 2hwu n ARG 4048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2hwu n GLU 4049N 14.00 2.35 -3.59 5.56 0.00 -1.26 -4.78 120.64 132.93 2hwu n GLU 4049Ca 0.00 -1.65 -0.40 0.00 0.00 0.00 0.00 57.16 55.11 2hwu n GLU 4049Cb 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 29.86 2hwu n GLU 4049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2hwu s PHE 4050N -1.58 3.50 -0.22 -1.84 2.99 0.63 -3.99 117.98 117.47 2hwu s PHE 4050Ca 0.30 -2.28 -0.09 0.00 0.00 0.00 0.00 56.93 54.86 2hwu s PHE 4050Cb 0.18 -3.42 -0.04 0.00 0.00 0.00 0.00 43.02 39.73 2hwu s PHE 4050CO 0.17 -0.93 0.11 0.99 -0.00 0.00 0.00 175.22 175.56 2hwu s THR 4051N 0.52 4.97 -0.11 0.64 2.01 -1.26 -1.68 115.64 120.72 2hwu s THR 4051Ca 0.13 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.18 2hwu s THR 4051Cb -0.20 -3.29 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2hwu s THR 4051CO -0.04 0.38 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.21 2hwu s SER 4052N 0.95 2.35 0.17 3.53 1.04 0.37 -0.92 113.70 121.20 2hwu s SER 4052Ca 0.06 -0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.18 2hwu s SER 4052Cb -0.14 -1.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.93 2hwu s SER 4052CO 0.03 -0.03 -0.06 0.26 0.98 0.00 0.00 173.24 174.42 2hwu s TRP 4053N 1.25 2.72 -0.05 5.02 0.52 0.33 -1.54 118.94 127.18 2hwu s TRP 4053Ca -0.02 -0.19 0.02 0.00 0.02 0.00 0.00 56.10 55.93 2hwu s TRP 4053Cb -0.14 -1.33 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 2hwu s TRP 4053CO -0.05 0.51 -0.08 0.50 0.02 0.00 0.00 176.95 177.85 2hwu s ARG 4054N -2.85 2.67 0.22 4.98 3.52 0.01 -1.09 118.95 126.41 2hwu s ARG 4054Ca 0.26 -0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 55.25 2hwu s ARG 4054Cb -0.09 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 2hwu s ARG 4054CO 0.16 0.65 0.16 0.00 -0.81 0.00 0.00 175.30 175.46 2hwu s ALA 4055N -0.84 1.25 -0.05 6.12 0.00 0.65 -0.46 121.76 128.43 2hwu s ALA 4055Ca 0.13 -1.74 0.05 0.00 0.00 0.00 0.00 51.96 50.40 2hwu s ALA 4055Cb -0.11 1.40 -0.00 0.00 0.00 0.00 0.00 23.12 24.40 2hwu s ALA 4055CO 0.02 -0.60 -0.19 -2.00 0.00 0.00 0.00 175.76 172.99 2hwu s GLU 4056N -4.06 1.95 -0.14 0.00 2.12 0.20 -0.18 118.70 118.60 2hwu s GLU 4056Ca 0.39 -0.67 -0.03 0.00 0.36 0.00 0.00 54.97 55.02 2hwu s GLU 4056Cb 0.06 -1.68 0.05 0.00 0.26 0.00 0.00 34.13 32.82 2hwu s GLU 4056CO 0.14 0.27 0.05 -1.17 -0.54 0.00 0.00 175.26 174.01 2hwu s LEU 4057N 0.01 0.65 -1.48 2.70 2.96 -0.72 -0.52 118.68 122.28 2hwu s LEU 4057Ca -0.04 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.27 2hwu s LEU 4057Cb -0.12 -0.39 0.07 0.00 0.50 0.00 0.00 46.19 46.25 2hwu s LEU 4057CO 0.03 -0.29 0.86 0.47 -1.32 0.00 0.00 176.35 176.10 2hwu n ASP 4058N 5.18 -4.89 -2.54 3.68 10.43 -1.26 -2.20 116.55 124.94 2hwu n ASP 4058Ca -0.07 -0.63 -0.18 0.00 2.57 0.00 0.00 54.79 56.48 2hwu n ASP 4058Cb 0.49 -3.92 0.04 0.00 1.84 0.00 0.00 41.12 39.56 2hwu n ASP 4058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2hwu n GLY 4059N -1.59 -0.27 2.76 0.44 0.00 -1.26 -5.02 105.19 100.25 2hwu n GLY 4059Ca 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2hwu n GLY 4059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hwu s LYS 4060N -5.58 0.11 0.35 1.61 1.02 -0.93 -5.13 119.74 111.19 2hwu s LYS 4060Ca 0.29 0.20 -0.29 0.00 0.02 0.00 0.00 55.97 56.19 2hwu s LYS 4060Cb -0.13 -0.45 -0.11 0.00 -0.52 0.00 0.00 37.83 36.62 2hwu s LYS 4060CO 0.35 -0.21 1.53 0.00 -0.92 0.00 0.00 175.35 176.11 2hwu n ALA 4061N 4.54 2.46 -2.85 5.17 0.00 -1.26 -1.76 120.51 126.81 2hwu n ALA 4061Ca -0.19 0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 2hwu n ALA 4061Cb 0.50 -2.44 -0.13 0.00 0.00 0.00 0.00 19.45 17.38 2hwu n ALA 4061CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hwu s VAL 4062N -0.68 0.27 -0.07 0.00 1.01 0.75 -4.22 120.40 117.47 2hwu s VAL 4062Ca 0.57 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 2hwu s VAL 4062Cb -0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 2hwu s VAL 4062CO 0.58 -0.13 -0.04 -0.63 0.00 0.00 0.00 175.10 174.88 2hwu s ILE 4063N -0.60 3.98 -0.28 2.22 -1.09 -0.83 -0.26 121.20 124.34 2hwu s ILE 4063Ca -0.04 -0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 2hwu s ILE 4063Cb -0.05 -2.65 0.07 0.00 -1.58 0.00 0.00 42.46 38.25 2hwu s ILE 4063CO -0.00 0.59 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.54 2hwu s VAL 4064N -0.86 2.30 -0.09 2.92 1.01 -0.25 -0.05 120.40 125.38 2hwu s VAL 4064Ca 0.13 -1.72 0.02 0.00 0.00 0.00 0.00 61.98 60.42 2hwu s VAL 4064Cb -0.11 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.87 2hwu s VAL 4064CO 0.02 -0.13 -0.16 0.00 0.00 0.00 0.00 175.10 174.83 2hwu s SER 4066N 0.73 6.13 -0.01 0.00 1.04 -0.09 -3.35 113.70 118.14 2hwu s SER 4066Ca -0.12 2.01 0.11 0.00 0.48 0.00 0.00 55.95 58.43 2hwu s SER 4066Cb -0.16 -2.57 -0.16 0.00 0.10 0.00 0.00 66.02 63.24 2hwu s SER 4066CO 0.03 -0.93 0.26 0.35 0.98 0.00 0.00 173.24 173.93 2hwu n THR 4067N -1.09 0.00 -2.77 2.02 -2.24 -0.16 -4.41 114.28 105.64 2hwu n THR 4067Ca 0.10 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2hwu n THR 4067Cb 0.52 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 69.12 2hwu n THR 4067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hwu n GLY 4068N 1.80 -2.11 3.67 3.38 0.00 -1.11 -3.22 105.19 107.61 2hwu n GLY 4068Ca -0.01 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 2hwu n GLY 4068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hwu s ILE 4069N -0.35 5.07 0.00 -0.61 1.01 -1.26 -4.68 121.20 120.38 2hwu s ILE 4069Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.75 2hwu s ILE 4069Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2hwu s ILE 4069CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2hwu n GLY 4070N 3.71 1.89 0.29 6.18 0.00 -1.26 -4.61 105.19 111.39 2hwu n GLY 4070Ca -0.03 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 2hwu n GLY 4070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hwu h GLY 4071N 0.00 -0.59 -0.53 -0.02 0.00 -1.88 -2.34 103.07 97.70 2hwu h GLY 4071Ca 0.00 0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.71 2hwu h GLY 4071CO 0.00 -0.24 -0.43 -2.55 0.00 0.00 0.00 176.54 173.33 2hwu h PRO 4072N -0.56 -0.19 -0.58 4.80 0.11 -1.95 1.06 132.00 134.69 2hwu h PRO 4072Ca -0.02 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 2hwu h PRO 4072Cb 0.51 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 2hwu h PRO 4072CO -0.03 -0.13 0.16 1.03 -0.21 0.00 0.00 178.00 178.83 2hwu h SER 4073N -0.20 0.81 -0.30 -2.05 0.87 -1.80 -2.56 113.55 108.33 2hwu h SER 4073Ca 0.19 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 2hwu h SER 4073Cb 0.56 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2hwu h SER 4073CO -0.71 0.78 0.01 0.74 -0.53 0.00 0.00 176.83 177.12 2hwu h THR 4074N 0.85 1.25 -0.85 2.23 2.02 -0.52 -2.83 112.91 115.06 2hwu h THR 4074Ca 0.19 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.51 2hwu h THR 4074Cb 0.27 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 2hwu h THR 4074CO -0.01 0.29 0.56 0.77 0.37 0.00 0.00 175.52 177.51 2hwu h SER 4075N 0.33 0.88 0.38 4.18 4.64 0.14 -0.55 113.55 123.55 2hwu h SER 4075Ca 0.09 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2hwu h SER 4075Cb 0.41 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2hwu h SER 4075CO 0.01 0.59 -0.18 0.40 -0.87 0.00 0.00 176.83 176.78 2hwu h ILE 4076N 1.01 0.63 -0.12 0.95 2.04 -1.44 -1.70 117.51 118.87 2hwu h ILE 4076Ca 0.35 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.97 2hwu h ILE 4076Cb 0.10 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2hwu h ILE 4076CO -0.11 0.05 -0.14 0.00 0.00 0.00 0.00 178.15 177.95 2hwu h ALA 4077N -0.11 -0.06 -0.17 1.87 0.00 -1.17 -0.37 119.26 119.25 2hwu h ALA 4077Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hwu h ALA 4077Cb 0.48 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2hwu h ALA 4077CO 0.09 -0.59 0.11 0.28 0.00 0.00 0.00 179.25 179.13 2hwu h VAL 4078N -0.17 1.04 -0.66 0.00 2.07 -1.18 0.18 116.25 117.52 2hwu h VAL 4078Ca 0.09 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.56 2hwu h VAL 4078Cb 0.30 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2hwu h VAL 4078CO -0.22 0.04 0.41 -0.08 0.02 0.00 0.00 177.57 177.73 2hwu h GLU 4079N 0.22 0.77 0.07 1.57 4.57 -1.01 0.32 114.58 121.10 2hwu h GLU 4079Ca 0.06 -0.05 -0.25 0.00 -1.18 0.00 0.00 59.36 57.95 2hwu h GLU 4079Cb -0.02 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 2hwu h GLU 4079CO -0.02 0.51 -1.12 0.93 -1.18 0.00 0.00 179.01 178.13 2hwu h GLU 4080N 0.79 0.19 -0.61 1.92 5.08 -0.86 -0.34 114.58 120.75 2hwu h GLU 4080Ca 0.27 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2hwu h GLU 4080Cb 0.03 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2hwu h GLU 4080CO -0.11 1.12 0.07 -0.07 -1.00 0.00 0.00 179.01 179.02 2hwu h LEU 4081N 0.06 1.00 -0.94 1.33 3.38 -0.52 -2.63 115.31 116.99 2hwu h LEU 4081Ca -0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2hwu h LEU 4081Cb 1.85 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 42.28 2hwu h LEU 4081CO 0.17 1.03 0.57 0.00 0.09 0.00 0.00 178.44 180.30 2hwu h ALA 4082N 1.01 1.20 -0.15 1.53 0.00 -0.21 -1.82 119.26 120.82 2hwu h ALA 4082Ca 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2hwu h ALA 4082Cb 0.47 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2hwu h ALA 4082CO 0.02 0.66 -0.03 1.96 0.00 0.00 0.00 179.25 181.86 2hwu h GLN 4083N 1.30 0.21 -0.06 0.00 4.20 -0.93 -2.62 115.11 117.21 2hwu h GLN 4083Ca 0.34 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.02 2hwu h GLN 4083Cb -0.05 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2hwu h GLN 4083CO -0.06 0.26 0.00 1.28 -0.67 0.00 0.00 178.83 179.64 2hwu n LEU 4084N -4.38 1.39 0.00 1.46 4.77 -0.74 -4.92 117.00 114.58 2hwu n LEU 4084Ca -0.01 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 2hwu n LEU 4084Cb 0.18 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2hwu n LEU 4084CO 0.36 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2hwu n GLY 4085N 1.13 1.64 3.71 -0.72 0.00 -0.99 -4.80 105.19 105.18 2hwu n GLY 4085Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2hwu n GLY 4085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hwu s ILE 4086N -1.92 2.89 -0.07 -0.61 -1.09 -0.86 -4.64 121.20 114.90 2hwu s ILE 4086Ca 0.00 0.60 0.02 0.00 -2.23 0.00 0.00 60.65 59.04 2hwu s ILE 4086Cb 0.00 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 2hwu s ILE 4086CO 0.00 0.04 0.07 0.54 -1.23 0.00 0.00 174.94 174.35 2hwu n ARG 4087N 4.25 5.19 -4.44 2.79 5.12 0.15 -4.21 116.66 125.52 2hwu n ARG 4087Ca 0.13 -0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.79 2hwu n ARG 4087Cb 0.40 -0.67 -0.17 0.00 -1.16 0.00 0.00 32.46 30.86 2hwu n ARG 4087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2hwu s THR 4088N -1.35 1.20 -0.10 0.55 2.01 -0.72 -0.78 115.64 116.44 2hwu s THR 4088Ca 0.00 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.55 2hwu s THR 4088Cb 0.01 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.42 2hwu s THR 4088CO 0.07 0.38 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.83 2hwu s PHE 4089N 0.92 2.23 -0.27 4.92 0.40 0.91 -0.83 117.98 126.27 2hwu s PHE 4089Ca -0.09 -0.98 0.03 0.00 -0.60 0.00 0.00 56.93 55.28 2hwu s PHE 4089Cb -0.15 -1.54 0.07 0.00 0.51 0.00 0.00 43.02 41.91 2hwu s PHE 4089CO 0.00 -0.45 -0.08 -0.51 0.70 0.00 0.00 175.22 174.89 2hwu s LEU 4090N 0.66 3.56 0.13 -0.37 1.43 -0.10 -0.25 118.68 123.75 2hwu s LEU 4090Ca -0.13 -1.49 -0.26 0.00 -1.03 0.00 0.00 54.13 51.22 2hwu s LEU 4090Cb -0.16 -1.53 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 2hwu s LEU 4090CO 0.03 -0.22 0.80 -0.60 0.23 0.00 0.00 176.35 176.59 2hwu s ARG 4091N 1.10 4.57 -0.23 1.70 3.52 0.23 -0.12 118.95 129.72 2hwu s ARG 4091Ca -0.06 1.17 -0.02 0.00 -0.13 0.00 0.00 55.73 56.70 2hwu s ARG 4091Cb -0.20 -3.31 0.07 0.00 -1.56 0.00 0.00 34.95 29.96 2hwu s ARG 4091CO -0.06 0.44 0.03 -1.50 -0.81 0.00 0.00 175.30 173.41 2hwu s ILE 4092N -0.69 0.84 0.17 4.11 -1.16 -1.20 -1.99 121.20 121.27 2hwu s ILE 4092Ca 0.38 -0.92 0.01 0.00 -0.51 0.00 0.00 60.65 59.62 2hwu s ILE 4092Cb -0.22 -1.36 -0.01 0.00 0.61 0.00 0.00 42.46 41.48 2hwu s ILE 4092CO 0.26 -0.30 0.05 0.61 -2.81 0.00 0.00 174.94 172.75 2hwu n GLY 4093N 4.91 3.79 3.72 1.50 0.00 -1.14 -3.78 105.19 114.19 2hwu n GLY 4093Ca -0.08 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 2hwu n GLY 4093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hwu s THR 4094N -2.09 4.17 0.04 2.61 -4.23 -1.26 -2.26 115.64 112.62 2hwu s THR 4094Ca 0.07 -0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2hwu s THR 4094Cb 0.00 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 2hwu s THR 4094CO 0.05 0.07 -0.03 0.28 -0.54 0.00 0.00 174.62 174.45 2hwu s THR 4095N -1.42 0.18 -0.27 3.99 -1.32 -0.61 -4.85 115.64 111.35 2hwu s THR 4095Ca 0.27 -1.49 -0.06 0.00 -1.21 0.00 0.00 61.69 59.20 2hwu s THR 4095Cb -0.11 -1.07 -0.00 0.00 -1.51 0.00 0.00 72.50 69.80 2hwu s THR 4095CO 0.20 -0.82 0.05 -0.83 -2.21 0.00 0.00 174.62 171.00 2hwu s GLY 4096N -2.40 1.74 0.23 6.08 0.00 -0.82 -1.14 107.32 111.01 2hwu s GLY 4096Ca -0.01 -1.31 -0.30 0.00 0.00 0.00 0.00 44.72 43.10 2hwu s GLY 4096CO -0.07 0.57 1.09 0.00 0.00 0.00 0.00 173.10 174.69 2hwu s ALA 4097N 1.52 3.39 -1.17 3.20 0.00 0.11 -0.37 121.76 128.44 2hwu s ALA 4097Ca 0.04 0.84 0.10 0.00 0.00 0.00 0.00 51.96 52.94 2hwu s ALA 4097Cb -0.16 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.68 2hwu s ALA 4097CO 0.01 -0.16 0.76 0.44 0.00 0.00 0.00 175.76 176.82 2hwu n ILE 4098N 1.79 0.00 -3.98 0.00 -5.35 0.09 0.93 119.36 112.84 2hwu n ILE 4098Ca 0.01 -0.46 -0.32 0.00 -0.27 0.00 0.00 62.75 61.70 2hwu n ILE 4098Cb 0.46 1.18 -0.05 0.00 -1.74 0.00 0.00 39.64 39.48 2hwu n ILE 4098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2hwu s GLN 4099N -1.06 3.27 0.28 6.28 -1.52 -1.23 -4.66 119.66 121.01 2hwu s GLN 4099Ca 0.11 -0.44 -0.00 0.00 -1.95 0.00 0.00 55.36 53.08 2hwu s GLN 4099Cb 0.09 -2.97 0.39 0.00 -0.22 0.00 0.00 33.01 30.29 2hwu s GLN 4099CO 0.18 0.64 1.77 -1.35 -0.25 0.00 0.00 175.29 176.28 2hwu h PRO 4100N 3.68 0.70 0.00 2.91 0.11 -1.96 -3.25 132.00 134.19 2hwu h PRO 4100Ca -0.48 -0.19 -0.15 0.00 0.11 0.00 0.00 66.00 65.29 2hwu h PRO 4100Cb 1.18 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2hwu h PRO 4100CO 0.68 0.74 -0.70 1.12 -0.21 0.00 0.00 178.00 179.64 2hwu h HIS 4101N 0.66 0.00 -3.70 0.65 2.07 -2.01 -3.44 115.15 109.37 2hwu h HIS 4101Ca 0.13 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.13 2hwu h HIS 4101Cb 0.46 0.00 0.04 0.00 2.57 0.00 0.00 27.41 30.48 2hwu h HIS 4101CO 0.02 0.70 0.59 0.42 -3.07 0.00 0.00 177.93 176.59 2hwu s ILE 4102N -3.13 3.12 0.27 6.12 1.01 -1.23 -5.03 121.20 122.33 2hwu s ILE 4102Ca 0.01 1.06 0.10 0.00 0.00 0.00 0.00 60.65 61.82 2hwu s ILE 4102Cb 0.10 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2hwu s ILE 4102CO 0.77 0.22 -0.04 0.20 0.00 0.00 0.00 174.94 176.09 2hwu s ASN 4103N -0.34 4.36 0.01 3.58 0.01 -1.26 -4.88 114.94 116.41 2hwu s ASN 4103Ca 0.50 -0.71 -0.30 0.00 -0.71 0.00 0.00 52.86 51.64 2hwu s ASN 4103Cb -0.36 -0.74 -0.08 0.00 0.41 0.00 0.00 41.25 40.48 2hwu s ASN 4103CO 0.45 0.01 1.82 -0.69 -1.51 0.00 0.00 177.10 177.18 2hwu s VAL 4104N -2.34 3.23 0.00 1.60 1.01 -1.26 -1.77 120.40 120.87 2hwu s VAL 4104Ca 0.31 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2hwu s VAL 4104Cb -0.06 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2hwu s VAL 4104CO 0.19 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2hwu n GLY 4105N 4.34 2.68 3.75 4.51 0.00 0.69 -5.00 105.19 116.15 2hwu n GLY 4105Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2hwu n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hwu s ASP 4106N -0.83 5.23 -0.18 1.61 -0.00 -0.73 -4.63 116.67 117.14 2hwu s ASP 4106Ca 0.00 2.66 -0.12 0.00 -0.00 0.00 0.00 52.55 55.09 2hwu s ASP 4106Cb 0.00 -2.63 -0.05 0.00 -0.00 0.00 0.00 42.92 40.25 2hwu s ASP 4106CO 0.00 -1.59 0.22 -0.69 -0.00 0.00 0.00 175.17 173.11 2hwu s VAL 4107N -1.37 5.35 -0.20 -1.27 1.01 -0.20 -1.55 120.40 122.17 2hwu s VAL 4107Ca 0.73 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 2hwu s VAL 4107Cb -0.38 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2hwu s VAL 4107CO 0.44 0.41 -0.10 -0.76 0.00 0.00 0.00 175.10 175.09 2hwu s LEU 4108N 0.42 2.62 -0.22 3.92 1.43 0.34 -1.36 118.68 125.82 2hwu s LEU 4108Ca 0.13 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2hwu s LEU 4108Cb -0.12 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2hwu s LEU 4108CO 0.01 -0.01 0.11 -0.69 0.23 0.00 0.00 176.35 176.01 2hwu s VAL 4109N 1.40 4.98 -0.19 -1.59 1.01 -0.08 -0.85 120.40 125.07 2hwu s VAL 4109Ca 0.05 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2hwu s VAL 4109Cb -0.14 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2hwu s VAL 4109CO -0.07 0.38 0.48 -0.89 0.00 0.00 0.00 175.10 175.00 2hwu s THR 4110N 0.96 5.14 -0.10 3.92 2.01 -0.17 -1.87 115.64 125.53 2hwu s THR 4110Ca 0.06 0.88 -0.24 0.00 0.31 0.00 0.00 61.69 62.70 2hwu s THR 4110Cb -0.14 -3.81 -0.28 0.00 0.01 0.00 0.00 72.50 68.28 2hwu s THR 4110CO 0.03 0.21 0.77 0.71 -0.69 0.00 0.00 174.62 175.65 2hwu h THR 4111N 5.07 1.53 -3.10 -0.82 1.35 -1.65 -3.41 112.91 111.88 2hwu h THR 4111Ca -0.35 -2.44 0.03 0.00 -0.55 0.00 0.00 66.41 63.11 2hwu h THR 4111Cb 1.16 3.16 -0.07 0.00 -1.73 0.00 0.00 68.15 70.67 2hwu h THR 4111CO 0.73 0.65 0.17 0.00 -0.25 0.00 0.00 175.52 176.83 2hwu s ALA 4112N -2.36 -1.16 0.04 6.62 0.00 -1.26 -0.23 121.76 123.41 2hwu s ALA 4112Ca -0.17 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.64 2hwu s ALA 4112Cb 0.00 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 2hwu s ALA 4112CO 0.76 -0.95 -0.18 -1.12 0.00 0.00 0.00 175.76 174.28 2hwu s SER 4113N -2.89 2.11 -0.13 0.00 0.01 0.08 -2.04 113.70 110.85 2hwu s SER 4113Ca 0.10 -0.47 -0.29 0.00 1.31 0.00 0.00 55.95 56.59 2hwu s SER 4113Cb -0.04 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 2hwu s SER 4113CO 0.02 0.12 1.45 -0.69 0.41 0.00 0.00 173.24 174.55 2hwu s VAL 4114N -0.77 3.95 -1.28 3.43 1.01 0.28 -4.36 120.40 122.67 2hwu s VAL 4114Ca 0.05 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 2hwu s VAL 4114Cb -0.08 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.65 2hwu s VAL 4114CO 0.01 -0.12 1.68 0.54 0.00 0.00 0.00 175.10 177.20 2hwu n ARG 4115N 6.91 3.27 -0.95 2.72 1.74 -1.26 -1.39 116.66 127.69 2hwu n ARG 4115Ca 0.16 -3.46 -0.20 0.00 -0.77 0.00 0.00 57.85 53.58 2hwu n ARG 4115Cb 0.44 -3.27 0.11 0.00 -1.02 0.00 0.00 32.46 28.72 2hwu n ARG 4115CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2hwu n LEU 4116N 6.84 6.12 -4.72 0.55 4.77 -0.81 -4.92 117.00 124.83 2hwu n LEU 4116Ca 0.44 -3.25 -0.32 0.00 -0.03 0.00 0.00 56.01 52.85 2hwu n LEU 4116Cb 0.43 -0.83 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 2hwu n LEU 4116CO 0.73 1.03 -0.24 1.51 -1.33 0.00 0.00 177.39 179.09 2hwu s ASP 4117N -0.70 3.90 -0.06 -1.43 3.84 -1.21 -1.99 116.67 119.02 2hwu s ASP 4117Ca 0.43 -1.68 0.03 0.00 -0.00 0.00 0.00 52.55 51.34 2hwu s ASP 4117Cb 0.35 0.56 -0.06 0.00 -1.38 0.00 0.00 42.92 42.40 2hwu s ASP 4117CO 0.05 -0.89 -0.01 0.61 -0.00 0.00 0.00 175.17 174.94 2hwu n GLY 4118N -1.21 -0.21 0.28 2.12 0.00 -1.26 -4.71 105.19 100.19 2hwu n GLY 4118Ca -0.17 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 45.80 2hwu n GLY 4118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwu h ALA 4119N 0.18 1.57 -0.22 4.61 0.00 -1.98 -2.37 119.26 121.05 2hwu h ALA 4119Ca -0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2hwu h ALA 4119Cb 1.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2hwu h ALA 4119CO -0.00 0.32 0.07 0.66 0.00 0.00 0.00 179.25 180.30 2hwu h SER 4120N 0.41 0.28 0.64 0.00 4.64 -1.85 -1.21 113.55 116.47 2hwu h SER 4120Ca 0.10 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2hwu h SER 4120Cb 0.18 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2hwu h SER 4120CO -0.00 0.27 0.00 0.18 -0.87 0.00 0.00 176.83 176.41 2hwu n LEU 4121N -4.43 0.51 -0.38 5.97 4.77 -0.89 -1.79 117.00 120.76 2hwu n LEU 4121Ca 0.00 0.63 0.07 0.00 -0.03 0.00 0.00 56.01 56.68 2hwu n LEU 4121Cb 0.14 -0.57 0.26 0.00 -2.33 0.00 0.00 43.42 40.91 2hwu n LEU 4121CO 0.36 -0.51 0.68 1.41 -1.33 0.00 0.00 177.39 178.01 2hwu n HIS 4122N -2.07 0.22 0.00 -1.77 8.25 -0.45 -4.14 115.22 115.26 2hwu n HIS 4122Ca 0.02 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2hwu n HIS 4122Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2hwu n HIS 4122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2hwu n PHE 4123N 0.04 0.00 -3.75 4.41 3.01 -0.74 -5.11 117.46 115.32 2hwu n PHE 4123Ca 0.11 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.45 2hwu n PHE 4123Cb 0.21 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.60 2hwu n PHE 4123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hwu s ALA 4124N -1.47 -0.75 1.03 4.37 0.00 -0.89 -5.00 121.76 119.06 2hwu s ALA 4124Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 2hwu s ALA 4124Cb 0.00 0.25 0.21 0.00 0.00 0.00 0.00 23.12 23.58 2hwu s ALA 4124CO 0.00 -0.37 1.07 -1.25 0.00 0.00 0.00 175.76 175.21 2hwu s PRO 4125N -2.20 0.12 0.52 0.00 0.04 -1.26 -4.08 135.00 128.14 2hwu s PRO 4125Ca -0.07 0.83 0.23 0.00 0.04 0.00 0.00 61.00 62.03 2hwu s PRO 4125Cb -0.02 -1.68 1.42 0.00 0.04 0.00 0.00 34.50 34.26 2hwu s PRO 4125CO -0.01 -3.02 2.12 1.98 0.04 0.00 0.00 177.00 178.11 2hwu h MET 4126N -2.12 0.00 -0.41 4.56 4.05 -1.94 -2.27 114.93 116.80 2hwu h MET 4126Ca -0.55 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.85 2hwu h MET 4126Cb 1.31 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.09 2hwu h MET 4126CO 0.52 0.08 0.15 0.93 0.23 0.00 0.00 176.91 178.83 2hwu h GLU 4127N 0.00 0.59 -6.67 0.39 3.07 -2.03 -3.42 114.58 106.51 2hwu h GLU 4127Ca -0.00 -0.08 -0.52 0.00 -0.50 0.00 0.00 59.36 58.26 2hwu h GLU 4127Cb 0.18 -0.11 0.06 0.00 -0.84 0.00 0.00 28.75 28.04 2hwu h GLU 4127CO 0.01 0.50 0.91 0.12 -1.40 0.00 0.00 179.01 179.14 2hwu s PHE 4128N -5.26 2.97 0.29 4.33 2.19 -0.86 -4.98 117.98 116.66 2hwu s PHE 4128Ca -0.08 0.61 -0.28 0.00 0.33 0.00 0.00 56.93 57.51 2hwu s PHE 4128Cb 0.16 -4.00 -0.09 0.00 -1.31 0.00 0.00 43.02 37.78 2hwu s PHE 4128CO 0.76 -3.62 0.95 -1.25 1.83 0.00 0.00 175.22 173.88 2hwu s PRO 4129N 0.73 4.70 -1.36 10.12 0.04 -1.26 -4.94 135.00 143.03 2hwu s PRO 4129Ca 0.69 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 2hwu s PRO 4129Cb -0.46 -3.02 0.11 0.00 0.04 0.00 0.00 34.50 31.17 2hwu s PRO 4129CO 0.35 0.37 2.02 0.00 0.04 0.00 0.00 177.00 179.79 2hwu n ALA 4130N 0.98 5.44 -2.81 8.56 0.00 -1.26 -4.71 120.51 126.71 2hwu n ALA 4130Ca 0.00 -4.13 -0.37 0.00 0.00 0.00 0.00 53.44 48.94 2hwu n ALA 4130Cb 0.48 -3.22 -0.06 0.00 0.00 0.00 0.00 19.45 16.65 2hwu n ALA 4130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hwu s VAL 4131N 1.59 5.42 0.57 0.00 0.11 -1.26 -0.74 120.40 126.09 2hwu s VAL 4131Ca 0.43 0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 59.63 2hwu s VAL 4131Cb 0.11 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.46 2hwu s VAL 4131CO -0.04 0.59 1.03 0.00 -3.33 0.00 0.00 175.10 173.36 2hwu s ALA 4132N -0.85 2.86 0.34 1.54 0.00 0.69 -4.67 121.76 121.68 2hwu s ALA 4132Ca 0.16 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 2hwu s ALA 4132Cb -0.13 -3.18 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 2hwu s ALA 4132CO 0.05 -0.63 1.47 0.34 0.00 0.00 0.00 175.76 176.99 2hwu s ASP 4133N -2.99 6.45 0.15 0.00 -1.08 0.52 -4.92 116.67 114.80 2hwu s ASP 4133Ca 0.61 2.94 -0.14 0.00 -0.52 0.00 0.00 52.55 55.44 2hwu s ASP 4133Cb -0.14 -2.66 0.03 0.00 -1.46 0.00 0.00 42.92 38.70 2hwu s ASP 4133CO 0.37 -0.81 1.72 0.15 0.52 0.00 0.00 175.17 177.12 2hwu h PHE 4134N 3.57 0.73 -0.49 -5.34 3.57 -1.95 -1.70 116.94 115.33 2hwu h PHE 4134Ca -0.49 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 60.84 2hwu h PHE 4134Cb 1.23 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2hwu h PHE 4134CO 0.55 0.59 -0.18 0.00 -2.23 0.00 0.00 178.31 177.05 2hwu h ALA 4135N 1.06 0.76 -0.16 2.41 0.00 -1.95 -1.77 119.26 119.60 2hwu h ALA 4135Ca 0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2hwu h ALA 4135Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2hwu h ALA 4135CO -0.02 0.67 0.09 0.00 0.00 0.00 0.00 179.25 179.99 2hwu h THR 4137N 0.15 1.19 -0.28 0.00 2.02 -1.28 -2.21 112.91 112.51 2hwu h THR 4137Ca 0.06 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 66.72 2hwu h THR 4137Cb 0.08 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 2hwu h THR 4137CO -0.01 0.22 -0.07 0.74 0.37 0.00 0.00 175.52 176.77 2hwu h THR 4138N 0.61 0.72 -0.18 3.16 2.02 -1.21 -0.06 112.91 117.97 2hwu h THR 4138Ca 0.16 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 2hwu h THR 4138Cb 0.15 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2hwu h THR 4138CO -0.02 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.71 2hwu h ALA 4139N 1.28 1.39 -0.25 6.16 0.00 -1.29 -0.10 119.26 126.45 2hwu h ALA 4139Ca 0.14 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2hwu h ALA 4139Cb 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2hwu h ALA 4139CO -0.29 0.42 -0.26 -0.07 0.00 0.00 0.00 179.25 179.05 2hwu h LEU 4140N 0.28 0.66 -0.57 0.00 3.38 -0.71 0.26 115.31 118.61 2hwu h LEU 4140Ca 0.05 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2hwu h LEU 4140Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2hwu h LEU 4140CO 0.03 1.00 0.11 0.58 0.09 0.00 0.00 178.44 180.25 2hwu h VAL 4141N 0.33 1.25 -0.43 1.22 2.07 -0.86 -0.63 116.25 119.21 2hwu h VAL 4141Ca 0.04 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 2hwu h VAL 4141Cb 0.82 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2hwu h VAL 4141CO 0.06 0.35 -0.01 -0.33 0.02 0.00 0.00 177.57 177.66 2hwu h GLU 4142N 0.83 0.76 -0.42 1.57 4.39 -0.95 -2.28 114.58 118.48 2hwu h GLU 4142Ca 0.18 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2hwu h GLU 4142Cb 0.39 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2hwu h GLU 4142CO 0.01 0.84 0.17 0.00 -1.16 0.00 0.00 179.01 178.87 2hwu h ALA 4143N 0.89 1.51 -0.87 3.43 0.00 -0.42 -2.10 119.26 121.69 2hwu h ALA 4143Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2hwu h ALA 4143Cb 0.51 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2hwu h ALA 4143CO 0.02 0.38 0.51 0.00 0.00 0.00 0.00 179.25 180.17 2hwu h ALA 4144N 1.59 1.11 -0.51 0.00 0.00 -0.63 -0.03 119.26 120.80 2hwu h ALA 4144Ca 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2hwu h ALA 4144Cb 0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2hwu h ALA 4144CO -0.01 0.59 0.08 0.87 0.00 0.00 0.00 179.25 180.77 2hwu h LYS 4145N 1.21 0.84 0.32 0.00 1.57 -1.03 -0.02 116.57 119.46 2hwu h LYS 4145Ca 0.31 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2hwu h LYS 4145Cb -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2hwu h LYS 4145CO -0.06 0.84 -0.17 1.03 -0.57 0.00 0.00 179.45 180.52 2hwu h SER 4146N 0.72 -0.41 0.79 0.86 0.87 -0.78 -2.51 113.55 113.09 2hwu h SER 4146Ca 0.15 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 2hwu h SER 4146Cb 0.41 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2hwu h SER 4146CO 0.01 -0.28 -0.32 0.40 -0.53 0.00 0.00 176.83 176.11 2hwu h ILE 4147N -0.46 0.81 -3.87 2.23 1.08 -1.07 -3.49 117.51 112.74 2hwu h ILE 4147Ca -0.04 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 2hwu h ILE 4147Cb 0.36 1.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.94 2hwu h ILE 4147CO 0.06 0.32 -0.39 0.61 -0.69 0.00 0.00 178.15 178.05 2hwu n GLY 4148N 0.10 -3.32 3.29 5.37 0.00 -0.03 -5.09 105.19 105.51 2hwu n GLY 4148Ca -0.00 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2hwu n GLY 4148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwu s ALA 4149N -0.71 -0.89 -0.46 4.61 0.00 -1.18 -5.05 121.76 118.08 2hwu s ALA 4149Ca 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 2hwu s ALA 4149Cb -0.00 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2hwu s ALA 4149CO 0.32 -0.41 2.02 0.99 0.00 0.00 0.00 175.76 178.69 2hwu s THR 4150N -2.26 3.26 -0.08 0.00 2.01 -1.26 -4.88 115.64 112.43 2hwu s THR 4150Ca -0.07 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2hwu s THR 4150Cb -0.02 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 2hwu s THR 4150CO -0.01 -0.45 -0.10 -0.89 -0.69 0.00 0.00 174.62 172.48 2hwu s THR 4151N 9.19 3.39 -0.03 -0.82 2.01 -1.26 -1.03 115.64 127.09 2hwu s THR 4151Ca 0.82 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 62.30 2hwu s THR 4151Cb -0.19 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 2hwu s THR 4151CO 0.27 0.57 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.56 2hwu s HIS 4152N -0.47 2.04 -0.12 4.92 3.76 -0.47 -4.98 115.29 119.97 2hwu s HIS 4152Ca 0.06 -0.50 0.01 0.00 -0.15 0.00 0.00 55.06 54.49 2hwu s HIS 4152Cb -0.12 -1.34 -0.01 0.00 1.11 0.00 0.00 32.58 32.23 2hwu s HIS 4152CO 0.02 -0.12 -0.17 0.08 -0.85 0.00 0.00 174.74 173.70 2hwu s VAL 4153N -0.28 2.69 -3.12 -0.90 1.01 -1.26 -0.90 120.40 117.64 2hwu s VAL 4153Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2hwu s VAL 4153Cb -0.11 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2hwu s VAL 4153CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2hwu n GLY 4154N 3.56 -0.56 3.77 4.51 0.00 -0.78 -4.97 105.19 110.72 2hwu n GLY 4154Ca -0.18 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 2hwu n GLY 4154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hwu s VAL 4155N -3.48 4.29 -0.01 1.61 1.01 -1.26 -1.68 120.40 120.88 2hwu s VAL 4155Ca 0.00 1.78 0.08 0.00 0.00 0.00 0.00 61.98 63.83 2hwu s VAL 4155Cb 0.00 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 2hwu s VAL 4155CO 0.00 0.46 -0.24 -0.89 0.00 0.00 0.00 175.10 174.43 2hwu s THR 4156N -1.23 2.26 -0.30 3.92 2.01 -0.86 -0.81 115.64 120.63 2hwu s THR 4156Ca 0.39 -1.11 -0.18 0.00 0.31 0.00 0.00 61.69 61.10 2hwu s THR 4156Cb -0.23 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 2hwu s THR 4156CO 0.27 0.53 0.50 0.00 -0.69 0.00 0.00 174.62 175.23 2hwu s ALA 4157N -0.68 3.54 -0.47 7.40 0.00 0.50 0.99 121.76 133.03 2hwu s ALA 4157Ca 0.11 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.22 2hwu s ALA 4157Cb -0.10 -2.92 0.12 0.00 0.00 0.00 0.00 23.12 20.22 2hwu s ALA 4157CO 0.00 -0.93 0.31 0.45 0.00 0.00 0.00 175.76 175.60 2hwu s SER 4158N 1.65 5.49 0.14 0.00 0.15 -0.49 -1.73 113.70 118.91 2hwu s SER 4158Ca 0.20 -2.11 -0.10 0.00 0.70 0.00 0.00 55.95 54.64 2hwu s SER 4158Cb -0.16 -1.92 -0.06 0.00 -1.71 0.00 0.00 66.02 62.17 2hwu s SER 4158CO 0.11 -0.59 0.46 -0.55 1.20 0.00 0.00 173.24 173.87 2hwu s SER 4159N 2.05 6.65 0.00 5.45 0.15 0.01 -1.92 113.70 126.09 2hwu s SER 4159Ca 0.09 0.84 0.27 0.00 0.70 0.00 0.00 55.95 57.85 2hwu s SER 4159Cb -0.24 -2.19 1.48 0.00 -1.71 0.00 0.00 66.02 63.36 2hwu s SER 4159CO -0.03 0.08 1.97 0.47 1.20 0.00 0.00 173.24 176.93 2hwu n ASP 4160N 0.51 0.40 -4.03 5.45 10.43 -0.84 -4.32 116.55 124.14 2hwu n ASP 4160Ca -0.05 -1.24 -0.13 0.00 2.57 0.00 0.00 54.79 55.94 2hwu n ASP 4160Cb 0.52 -0.01 -0.12 0.00 1.84 0.00 0.00 41.12 43.35 2hwu n ASP 4160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2hwu s THR 4161N -1.98 0.46 0.24 -3.53 -4.23 -1.26 -5.03 115.64 100.32 2hwu s THR 4161Ca 0.40 -0.86 0.10 0.00 -1.18 0.00 0.00 61.69 60.16 2hwu s THR 4161Cb 0.19 -0.51 -0.05 0.00 1.34 0.00 0.00 72.50 73.48 2hwu s THR 4161CO 0.32 -0.27 1.57 0.15 -0.54 0.00 0.00 174.62 175.84 2hwu h PHE 4162N 4.88 0.00 0.00 3.99 3.04 -1.98 -3.36 116.94 123.50 2hwu h PHE 4162Ca -0.33 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.62 2hwu h PHE 4162Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2hwu h PHE 4162CO 0.59 0.66 0.00 0.66 -2.02 0.00 0.00 178.31 178.20 2hwu n TYR 4163N -3.72 0.00 -0.00 0.41 4.02 -1.26 -4.41 117.16 112.19 2hwu n TYR 4163Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.82 2hwu n TYR 4163Cb 0.66 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 40.12 2hwu n TYR 4163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2hwu h PRO 4164N 0.00 0.54 0.00 -0.72 0.13 -1.84 0.32 132.00 130.42 2hwu h PRO 4164Ca 0.00 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 2hwu h PRO 4164Cb 0.00 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 2hwu h PRO 4164CO 0.00 0.81 -0.06 0.78 -0.23 0.00 0.00 178.00 179.30 2hwu h GLY 4165N 1.05 0.00 -3.04 1.56 0.00 -1.87 -0.55 103.07 100.22 2hwu h GLY 4165Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2hwu h GLY 4165CO 0.07 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.55 2hwu n GLN 4166N -3.19 4.30 -4.08 4.80 6.02 -1.07 -4.86 117.38 119.30 2hwu n GLN 4166Ca 0.00 -3.04 -0.47 0.00 -0.01 0.00 0.00 57.00 53.48 2hwu n GLN 4166Cb 0.32 -2.11 0.02 0.00 1.02 0.00 0.00 30.24 29.49 2hwu n GLN 4166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2hwu n GLU 4167N 0.46 -0.24 -3.72 -1.09 2.13 -0.21 -4.93 120.64 113.04 2hwu n GLU 4167Ca 0.26 0.08 -0.34 0.00 0.66 0.00 0.00 57.16 57.82 2hwu n GLU 4167Cb 1.08 -2.45 -0.05 0.00 0.27 0.00 0.00 31.44 30.29 2hwu n GLU 4167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2hwu s ARG 4168N -7.42 3.62 0.00 5.31 0.52 0.11 -4.98 118.95 116.10 2hwu s ARG 4168Ca 0.48 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 2hwu s ARG 4168Cb -0.27 -3.02 -0.00 0.00 0.52 0.00 0.00 34.95 32.18 2hwu s ARG 4168CO 0.98 0.60 0.13 0.66 0.02 0.00 0.00 175.30 177.68 2hwu n TYR 4169N 0.85 0.00 -0.65 -0.53 4.02 -1.26 -4.50 117.16 115.10 2hwu n TYR 4169Ca -0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.73 2hwu n TYR 4169Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 2hwu n TYR 4169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2hwu n ASP 4170N -0.77 3.67 -4.56 7.72 10.43 -1.26 -4.44 116.55 127.34 2hwu n ASP 4170Ca 0.00 -2.15 -0.24 0.00 2.57 0.00 0.00 54.79 54.96 2hwu n ASP 4170Cb 0.01 -0.96 -0.09 0.00 1.84 0.00 0.00 41.12 41.91 2hwu n ASP 4170CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2hwu s THR 4171N 1.45 2.61 0.26 -3.53 -4.23 -1.26 -5.04 115.64 105.90 2hwu s THR 4171Ca 0.40 -2.15 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 2hwu s THR 4171Cb 0.19 -2.61 0.26 0.00 1.34 0.00 0.00 72.50 71.68 2hwu s THR 4171CO 0.00 -0.29 1.67 0.22 -0.54 0.00 0.00 174.62 175.69 2hwu h TYR 4172N 2.01 0.32 0.00 3.99 5.03 -1.98 -2.66 116.97 123.68 2hwu h TYR 4172Ca -0.42 0.05 -0.24 0.00 2.58 0.00 0.00 58.73 60.70 2hwu h TYR 4172Cb 1.25 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 39.48 2hwu h TYR 4172CO 0.75 -0.12 -1.52 0.66 -1.32 0.00 0.00 178.16 176.60 2hwu h SER 4173N 0.26 0.00 -0.11 -2.11 4.64 -1.96 -3.48 113.55 110.79 2hwu h SER 4173Ca 0.47 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.74 2hwu h SER 4173Cb 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 2hwu h SER 4173CO -0.56 0.85 -0.04 0.61 -0.87 0.00 0.00 176.83 176.82 2hwu n GLY 4174N 1.48 0.49 3.34 -0.77 0.00 -1.00 -5.00 105.19 103.72 2hwu n GLY 4174Ca -0.13 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 2hwu n GLY 4174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hwu s ARG 4175N -1.34 1.27 -0.05 1.61 3.52 -1.26 -4.98 118.95 117.72 2hwu s ARG 4175Ca 0.00 -1.27 0.02 0.00 -0.13 0.00 0.00 55.73 54.35 2hwu s ARG 4175Cb 0.00 -1.64 0.01 0.00 -1.56 0.00 0.00 34.95 31.76 2hwu s ARG 4175CO 0.00 0.38 -0.11 0.08 -0.81 0.00 0.00 175.30 174.85 2hwu s VAL 4176N -1.16 0.98 0.47 7.11 1.01 -1.26 -4.97 120.40 122.58 2hwu s VAL 4176Ca 0.11 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 2hwu s VAL 4176Cb -0.10 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 2hwu s VAL 4176CO 0.05 0.31 1.14 0.55 0.00 0.00 0.00 175.10 177.16 2hwu n VAL 4177N 3.64 2.91 -0.34 2.92 3.14 -1.26 -4.54 118.33 124.82 2hwu n VAL 4177Ca -0.22 -0.50 0.05 0.00 -2.96 0.00 0.00 64.34 60.72 2hwu n VAL 4177Cb 0.52 -1.38 0.13 0.00 -1.06 0.00 0.00 33.84 32.05 2hwu n VAL 4177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2hwu n ARG 4178N -0.27 -0.09 -0.32 1.45 0.63 -1.26 -0.79 116.66 116.01 2hwu n ARG 4178Ca 0.09 1.45 0.13 0.00 -0.92 0.00 0.00 57.85 58.60 2hwu n ARG 4178Cb 0.42 -2.17 0.31 0.00 0.45 0.00 0.00 32.46 31.46 2hwu n ARG 4178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2hwu h ARG 4179N 0.00 0.50 -0.02 -0.14 2.43 -2.01 -2.43 114.38 112.71 2hwu h ARG 4179Ca 0.44 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2hwu h ARG 4179Cb 0.67 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2hwu h ARG 4179CO -0.96 0.33 -0.08 1.19 -1.51 0.00 0.00 179.97 178.94 2hwu n PHE 4180N -4.95 0.00 -2.20 2.20 3.01 0.03 -4.79 117.46 110.76 2hwu n PHE 4180Ca 0.22 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.25 2hwu n PHE 4180Cb 0.62 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.06 2hwu n PHE 4180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2hwu s LYS 4181N -1.71 3.57 0.00 -1.08 2.20 -0.85 -2.11 119.74 119.76 2hwu s LYS 4181Ca 0.21 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 2hwu s LYS 4181Cb 0.16 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 2hwu s LYS 4181CO 0.29 -1.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.12 2hwu n GLY 4182N 5.05 0.38 0.09 5.54 0.00 -1.26 -4.97 105.19 110.02 2hwu n GLY 4182Ca 0.19 -1.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.17 2hwu n GLY 4182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hwu h SER 4183N 0.00 0.00 -0.07 1.61 4.64 -1.73 -3.28 113.55 114.72 2hwu h SER 4183Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2hwu h SER 4183Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2hwu h SER 4183CO 0.00 0.80 0.02 -0.03 -0.87 0.00 0.00 176.83 176.75 2hwu h MET 4184N 0.00 0.11 0.00 4.77 -1.53 -1.92 -0.60 114.93 115.76 2hwu h MET 4184Ca -0.12 -0.02 -0.07 0.00 -3.44 0.00 0.00 59.70 56.04 2hwu h MET 4184Cb 1.72 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 32.74 2hwu h MET 4184CO 0.08 0.26 -0.35 0.93 0.14 0.00 0.00 176.91 177.97 2hwu h GLU 4185N -0.06 0.00 -0.43 0.39 5.08 -1.96 -0.39 114.58 117.20 2hwu h GLU 4185Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2hwu h GLU 4185Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2hwu h GLU 4185CO -0.00 0.35 0.18 0.93 -1.00 0.00 0.00 179.01 179.47 2hwu h GLU 4186N 0.00 0.64 -0.21 2.33 5.08 -1.55 -1.57 114.58 119.30 2hwu h GLU 4186Ca -0.00 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2hwu h GLU 4186Cb 0.69 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2hwu h GLU 4186CO 0.05 0.58 -0.17 -1.49 -1.00 0.00 0.00 179.01 176.97 2hwu h TRP 4187N 0.55 0.38 0.31 4.33 -0.00 -0.53 -2.75 115.95 118.25 2hwu h TRP 4187Ca 0.14 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.89 58.96 2hwu h TRP 4187Cb 0.17 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 29.23 2hwu h TRP 4187CO -0.00 0.51 -0.16 1.96 -0.00 0.00 0.00 178.44 180.75 2hwu h GLN 4188N 0.33 -0.42 0.00 0.49 4.20 -0.77 -0.30 115.11 118.63 2hwu h GLN 4188Ca 0.06 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2hwu h GLN 4188Cb 0.49 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 2hwu h GLN 4188CO 0.03 -0.28 -0.02 0.00 -0.67 0.00 0.00 178.83 177.89 2hwu h ALA 4189N 0.25 1.64 -0.01 3.87 0.00 -1.18 0.17 119.26 124.00 2hwu h ALA 4189Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2hwu h ALA 4189Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2hwu h ALA 4189CO 0.06 0.03 -0.07 -1.33 0.00 0.00 0.00 179.25 177.94 2hwu n MET 4190N -4.04 0.97 -1.03 0.00 2.81 -1.05 -4.93 117.12 109.86 2hwu n MET 4190Ca -0.03 -0.35 -0.01 0.00 -1.81 0.00 0.00 57.70 55.50 2hwu n MET 4190Cb 0.11 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2hwu n MET 4190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hwu n GLY 4191N 1.20 0.46 3.75 3.03 0.00 0.61 -5.02 105.19 109.22 2hwu n GLY 4191Ca 0.17 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2hwu n GLY 4191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hwu s VAL 4192N -2.04 2.82 -0.05 1.61 1.01 -0.16 -4.57 120.40 119.02 2hwu s VAL 4192Ca 0.00 0.74 -0.15 0.00 0.00 0.00 0.00 61.98 62.57 2hwu s VAL 4192Cb 0.00 -3.47 -0.31 0.00 0.00 0.00 0.00 36.38 32.60 2hwu s VAL 4192CO 0.00 0.14 0.73 0.24 0.00 0.00 0.00 175.10 176.21 2hwu h MET 4193N 4.35 0.36 -3.03 2.72 0.00 -1.28 -3.42 114.93 114.63 2hwu h MET 4193Ca -0.47 -0.61 -0.00 0.00 0.00 0.00 0.00 59.70 58.62 2hwu h MET 4193Cb 1.22 0.23 -0.10 0.00 0.00 0.00 0.00 31.60 32.95 2hwu h MET 4193CO 0.72 1.29 0.20 0.54 0.00 0.00 0.00 176.91 179.66 2hwu s ASN 4194N -7.21 -0.47 -0.12 1.22 4.22 -1.26 -0.73 114.94 110.58 2hwu s ASN 4194Ca -0.16 -0.18 -0.06 0.00 -2.14 0.00 0.00 52.86 50.33 2hwu s ASN 4194Cb 0.04 0.62 -0.04 0.00 1.28 0.00 0.00 41.25 43.16 2hwu s ASN 4194CO 0.84 -1.06 0.08 -0.31 -2.04 0.00 0.00 177.10 174.61 2hwu s TYR 4195N -3.80 3.38 0.25 1.54 2.02 0.50 -0.37 117.35 120.88 2hwu s TYR 4195Ca 0.04 0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 57.01 2hwu s TYR 4195Cb -0.02 -1.93 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2hwu s TYR 4195CO -0.08 0.51 0.43 -0.85 -1.57 0.00 0.00 175.55 173.99 2hwu n GLU 4196N 2.41 0.61 0.00 -0.62 -0.00 -0.70 -1.94 120.64 120.41 2hwu n GLU 4196Ca -0.19 -1.75 0.00 0.00 -0.00 0.00 0.00 57.16 55.22 2hwu n GLU 4196Cb 0.54 1.88 0.00 0.00 -0.00 0.00 0.00 31.44 33.86 2hwu n GLU 4196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2hwu n MET 4197N -0.38 0.47 0.00 3.44 2.81 -1.26 -0.81 117.12 121.38 2hwu n MET 4197Ca -0.02 -0.74 0.00 0.00 -1.81 0.00 0.00 57.70 55.12 2hwu n MET 4197Cb 0.41 -0.89 0.00 0.00 -0.71 0.00 0.00 33.22 32.03 2hwu n MET 4197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2hwu n GLU 4198N -0.15 3.36 -0.15 0.03 4.71 -1.26 -3.57 120.64 123.61 2hwu n GLU 4198Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.04 2hwu n GLU 4198Cb 0.16 -0.55 -0.01 0.00 -1.01 0.00 0.00 31.44 30.03 2hwu n GLU 4198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2hwu h SER 4199N 0.00 0.81 -0.65 1.62 4.64 -1.94 -1.85 113.55 116.18 2hwu h SER 4199Ca 0.00 -0.35 0.07 0.00 -0.47 0.00 0.00 61.79 61.04 2hwu h SER 4199Cb 0.00 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 61.81 2hwu h SER 4199CO 0.00 0.97 0.34 0.00 -0.87 0.00 0.00 176.83 177.27 2hwu h ALA 4200N 0.86 0.88 0.02 5.18 0.00 -1.88 0.14 119.26 124.46 2hwu h ALA 4200Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2hwu h ALA 4200Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2hwu h ALA 4200CO 0.04 -0.02 -0.01 1.15 0.00 0.00 0.00 179.25 180.41 2hwu h THR 4201N 0.61 1.32 0.17 0.00 2.02 -1.90 -2.51 112.91 112.63 2hwu h THR 4201Ca 0.30 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.45 2hwu h THR 4201Cb 0.24 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 2hwu h THR 4201CO -0.21 0.27 -0.20 0.25 0.37 0.00 0.00 175.52 175.99 2hwu h LEU 4202N -0.47 -0.54 -0.33 2.58 5.85 -1.01 -0.79 115.31 120.60 2hwu h LEU 4202Ca -0.00 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2hwu h LEU 4202Cb 0.45 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2hwu h LEU 4202CO 0.00 -0.29 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.61 2hwu h LEU 4203N -0.42 0.69 -0.06 2.25 3.38 -0.85 -1.74 115.31 118.55 2hwu h LEU 4203Ca 0.01 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2hwu h LEU 4203Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2hwu h LEU 4203CO -0.07 0.92 0.02 0.74 0.09 0.00 0.00 178.44 180.15 2hwu h THR 4204N 0.45 0.99 0.00 0.22 2.02 -1.43 0.11 112.91 115.27 2hwu h THR 4204Ca 0.08 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 2hwu h THR 4204Cb 0.64 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2hwu h THR 4204CO 0.04 0.01 -0.12 0.00 0.37 0.00 0.00 175.52 175.82 2hwu h MET 4205N 0.06 0.00 0.10 6.66 -0.00 -1.08 -1.85 114.93 118.81 2hwu h MET 4205Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 59.70 59.42 2hwu h MET 4205Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.60 2hwu h MET 4205CO -0.02 0.12 -1.60 0.00 -0.00 0.00 0.00 176.91 175.41 2hwu h ALA 4207N -0.10 1.07 -0.18 0.00 0.00 -0.76 0.18 119.26 119.48 2hwu h ALA 4207Ca -0.36 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2hwu h ALA 4207Cb 1.77 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2hwu h ALA 4207CO 0.01 0.59 0.00 -1.13 0.00 0.00 0.00 179.25 178.73 2hwu n SER 4208N -4.22 1.53 -0.01 0.00 3.41 -0.70 -3.91 113.62 109.72 2hwu n SER 4208Ca 0.03 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 2hwu n SER 4208Cb 0.29 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2hwu n SER 4208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hwu n GLN 4209N 0.25 1.47 -2.99 4.33 6.02 -1.04 -5.02 117.38 120.40 2hwu n GLN 4209Ca 0.15 -1.04 -0.15 0.00 -0.01 0.00 0.00 57.00 55.95 2hwu n GLN 4209Cb 0.30 -0.76 0.04 0.00 1.02 0.00 0.00 30.24 30.83 2hwu n GLN 4209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hwu n GLY 4210N -0.27 -0.05 3.41 1.08 0.00 -0.94 -5.01 105.19 103.41 2hwu n GLY 4210Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2hwu n GLY 4210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hwu s LEU 4211N -4.78 2.41 -0.11 0.99 1.43 0.59 -5.05 118.68 114.15 2hwu s LEU 4211Ca 0.29 -0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 2hwu s LEU 4211Cb -0.13 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2hwu s LEU 4211CO 0.36 0.22 0.57 -0.13 0.23 0.00 0.00 176.35 177.60 2hwu s ARG 4212N -1.73 4.36 -0.02 1.70 0.52 0.04 -3.91 118.95 119.90 2hwu s ARG 4212Ca 0.14 0.61 0.03 0.00 -0.52 0.00 0.00 55.73 55.99 2hwu s ARG 4212Cb -0.10 -3.46 -0.00 0.00 0.52 0.00 0.00 34.95 31.91 2hwu s ARG 4212CO 0.06 0.08 -0.11 0.00 0.02 0.00 0.00 175.30 175.35 2hwu s ALA 4213N 0.84 0.94 0.08 2.13 0.00 -1.26 -0.06 121.76 124.42 2hwu s ALA 4213Ca 0.30 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2hwu s ALA 4213Cb -0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2hwu s ALA 4213CO 0.13 0.20 -0.17 0.20 0.00 0.00 0.00 175.76 176.12 2hwu s GLY 4214N -0.11 1.00 -0.11 0.00 0.00 0.65 -0.36 107.32 108.40 2hwu s GLY 4214Ca 0.02 -1.07 -0.03 0.00 0.00 0.00 0.00 44.72 43.64 2hwu s GLY 4214CO -0.00 -1.07 0.04 -0.29 0.00 0.00 0.00 173.10 171.78 2hwu s MET 4215N -1.69 0.31 0.13 2.90 1.75 -1.26 -0.60 119.30 120.85 2hwu s MET 4215Ca 0.02 0.03 0.07 0.00 -1.25 0.00 0.00 55.69 54.56 2hwu s MET 4215Cb -0.10 -1.27 -0.04 0.00 2.84 0.00 0.00 34.83 36.26 2hwu s MET 4215CO 0.03 -0.46 -0.17 0.54 -0.65 0.00 0.00 175.02 174.31 2hwu s VAL 4216N 2.04 1.58 0.05 10.11 0.11 -0.84 -1.00 120.40 132.45 2hwu s VAL 4216Ca 0.03 -1.75 -0.16 0.00 -2.93 0.00 0.00 61.98 57.17 2hwu s VAL 4216Cb -0.14 -1.64 0.03 0.00 -1.53 0.00 0.00 36.38 33.10 2hwu s VAL 4216CO -0.06 -0.31 0.37 0.00 -3.33 0.00 0.00 175.10 171.77 2hwu s ALA 4217N -1.91 -0.88 -0.19 1.54 0.00 -0.03 -2.87 121.76 117.42 2hwu s ALA 4217Ca 0.11 0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 2hwu s ALA 4217Cb -0.06 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 2hwu s ALA 4217CO 0.05 -0.46 -0.04 0.20 0.00 0.00 0.00 175.76 175.51 2hwu s GLY 4218N -2.13 1.65 -0.12 0.00 0.00 -0.96 -0.50 107.32 105.26 2hwu s GLY 4218Ca -0.04 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 43.36 2hwu s GLY 4218CO -0.04 0.22 1.53 0.14 0.00 0.00 0.00 173.10 174.95 2hwu s VAL 4219N 1.02 3.81 -0.43 1.40 1.01 -0.60 -1.57 120.40 125.03 2hwu s VAL 4219Ca 0.01 0.96 0.14 0.00 0.00 0.00 0.00 61.98 63.09 2hwu s VAL 4219Cb -0.15 -3.67 -0.18 0.00 0.00 0.00 0.00 36.38 32.39 2hwu s VAL 4219CO 0.01 -0.14 0.49 2.30 0.00 0.00 0.00 175.10 177.76 2hwu n ILE 4220N 5.65 0.00 -3.69 2.22 -5.35 -0.29 -0.22 119.36 117.68 2hwu n ILE 4220Ca 0.17 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 62.28 2hwu n ILE 4220Cb 0.44 0.71 -0.09 0.00 -1.74 0.00 0.00 39.64 38.96 2hwu n ILE 4220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2hwu s VAL 4221N -2.55 0.01 -0.30 7.28 0.11 -1.24 -4.76 120.40 118.95 2hwu s VAL 4221Ca 0.01 -0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 58.90 2hwu s VAL 4221Cb 0.10 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 2hwu s VAL 4221CO 0.58 -0.04 0.14 0.21 -3.33 0.00 0.00 175.10 172.65 2hwu s ASN 4222N -0.16 5.49 0.26 3.54 3.84 -1.26 0.08 114.94 126.73 2hwu s ASN 4222Ca -0.03 -0.48 0.25 0.00 0.21 0.00 0.00 52.86 52.81 2hwu s ASN 4222Cb -0.03 -1.99 0.89 0.00 -0.55 0.00 0.00 41.25 39.57 2hwu s ASN 4222CO 0.02 -0.17 1.75 0.03 -2.79 0.00 0.00 177.10 175.95 2hwu h ARG 4223N 8.33 0.00 0.00 0.43 2.47 0.43 -0.49 114.38 125.55 2hwu h ARG 4223Ca -0.33 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.39 2hwu h ARG 4223Cb 1.15 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2hwu h ARG 4223CO 0.61 0.00 -0.02 1.79 0.56 0.00 0.00 179.97 182.90 2hwu h THR 4224N 0.00 0.05 0.00 2.04 1.35 -1.83 -3.36 112.91 111.16 2hwu h THR 4224Ca 0.00 -0.77 -0.34 0.00 -0.55 0.00 0.00 66.41 64.75 2hwu h THR 4224Cb 0.58 1.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.68 2hwu h THR 4224CO 0.00 0.02 -2.14 0.00 -0.25 0.00 0.00 175.52 173.16 2hwu n GLN 4225N -3.12 0.44 -0.74 4.72 6.02 -0.80 -5.10 117.38 118.81 2hwu n GLN 4225Ca 0.02 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 2hwu n GLN 4225Cb 0.41 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.41 2hwu n GLN 4225CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hwu n GLN 4226N -3.77 0.01 0.00 -1.09 10.64 -0.26 -5.09 117.38 117.82 2hwu n GLN 4226Ca -0.39 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.78 2hwu n GLN 4226Cb 0.80 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.18 2hwu n GLN 4226CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2hwu n GLU 4227N 0.00 1.66 0.00 2.61 2.13 -1.26 -3.93 120.64 121.85 2hwu n GLU 4227Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hwu n GLU 4227Cb 0.00 -0.15 0.00 0.00 0.27 0.00 0.00 31.44 31.56 2hwu n GLU 4227CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2hwu n ILE 4228N -0.13 0.00 -3.86 6.31 5.41 -1.26 -5.07 119.36 120.75 2hwu n ILE 4228Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 2hwu n ILE 4228Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 2hwu n ILE 4228CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2hwu s PRO 4229N 1.29 3.46 0.00 0.38 0.04 -1.26 -4.76 135.00 134.15 2hwu s PRO 4229Ca 0.00 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.45 2hwu s PRO 4229Cb 0.00 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2hwu s PRO 4229CO 0.00 0.43 0.00 0.45 0.04 0.00 0.00 177.00 177.92 2hwu n SER 4239N -1.01 0.00 0.05 6.66 2.88 -1.26 -4.81 113.62 116.13 2hwu n SER 4239Ca -0.07 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.36 2hwu n SER 4239Cb 0.55 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.97 2hwu n SER 4239CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2hwu h HIS 4240N 0.00 -0.61 -0.94 0.66 3.86 -1.99 0.17 115.15 116.30 2hwu h HIS 4240Ca 0.00 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.34 2hwu h HIS 4240Cb 0.00 0.27 -0.07 0.00 1.06 0.00 0.00 27.41 28.67 2hwu h HIS 4240CO 0.00 -0.32 0.60 0.00 0.86 0.00 0.00 177.93 179.08 2hwu h ALA 4241N 0.53 1.60 0.17 2.45 0.00 -1.92 0.19 119.26 122.28 2hwu h ALA 4241Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2hwu h ALA 4241Cb 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2hwu h ALA 4241CO -0.22 0.18 -0.08 0.28 0.00 0.00 0.00 179.25 179.41 2hwu h VAL 4242N 0.92 0.91 -0.68 0.00 2.07 -1.80 -1.22 116.25 116.45 2hwu h VAL 4242Ca 0.45 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 2hwu h VAL 4242Cb 0.47 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2hwu h VAL 4242CO -0.21 0.09 0.35 0.11 0.02 0.00 0.00 177.57 177.92 2hwu h LYS 4243N -0.41 0.96 -0.30 1.57 1.57 -0.15 -2.31 116.57 117.51 2hwu h LYS 4243Ca -0.02 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2hwu h LYS 4243Cb 0.32 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2hwu h LYS 4243CO 0.04 0.73 0.01 0.82 -0.57 0.00 0.00 179.45 180.48 2hwu h ILE 4244N 0.96 1.25 0.00 1.86 2.04 -0.56 -0.82 117.51 122.24 2hwu h ILE 4244Ca 0.24 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 2hwu h ILE 4244Cb 0.07 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2hwu h ILE 4244CO -0.03 0.29 -0.25 1.62 0.00 0.00 0.00 178.15 179.77 2hwu h VAL 4245N 0.31 0.86 -0.00 1.67 3.04 -1.02 0.19 116.25 121.30 2hwu h VAL 4245Ca 0.09 -0.98 -0.04 0.00 -1.01 0.00 0.00 66.70 64.75 2hwu h VAL 4245Cb 0.41 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2hwu h VAL 4245CO 0.01 0.25 -0.15 0.58 -1.01 0.00 0.00 177.57 177.24 2hwu h VAL 4246N 0.00 1.58 -0.38 1.51 2.07 -1.25 -2.74 116.25 117.03 2hwu h VAL 4246Ca -0.00 -1.90 -0.04 0.00 0.82 0.00 0.00 66.70 65.57 2hwu h VAL 4246Cb 0.57 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 2hwu h VAL 4246CO 0.03 0.51 0.05 -0.08 0.02 0.00 0.00 177.57 178.10 2hwu h GLU 4247N -0.61 0.57 -0.49 1.57 4.57 -0.96 -2.25 114.58 116.98 2hwu h GLU 4247Ca -0.02 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 2hwu h GLU 4247Cb 0.92 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2hwu h GLU 4247CO 0.03 0.56 -0.01 0.00 -1.18 0.00 0.00 179.01 178.40 2hwu h ALA 4248N 1.51 1.05 -0.81 2.92 0.00 -0.71 -2.86 119.26 120.35 2hwu h ALA 4248Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2hwu h ALA 4248Cb 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2hwu h ALA 4248CO 0.00 0.59 0.52 0.00 0.00 0.00 0.00 179.25 180.36 2hwu h ALA 4249N 1.21 1.03 -0.33 0.00 0.00 -1.09 -2.19 119.26 117.88 2hwu h ALA 4249Ca 0.15 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2hwu h ALA 4249Cb 0.48 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2hwu h ALA 4249CO 0.02 0.46 0.26 0.00 0.00 0.00 0.00 179.25 180.00 2hwu h ARG 4250N 1.10 0.00 -0.01 0.00 3.08 -1.24 -1.68 114.38 115.63 2hwu h ARG 4250Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2hwu h ARG 4250Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2hwu h ARG 4250CO -0.06 0.00 -0.16 0.54 -1.07 0.00 0.00 179.97 179.22 2hwu n ARG 4251N -4.22 1.07 0.00 0.04 1.74 -0.83 -4.07 116.66 110.40 2hwu n ARG 4251Ca 0.05 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.53 2hwu n ARG 4251Cb 0.43 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2hwu n ARG 4251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2hwu n LEU 4252N -0.44 0.90 0.00 0.55 4.77 -0.66 -5.03 117.00 117.09 2hwu n LEU 4252Ca 0.15 -0.90 0.10 0.00 -0.03 0.00 0.00 56.01 55.33 2hwu n LEU 4252Cb 0.34 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 42.03 2hwu n LEU 4252CO 0.23 0.23 0.80 0.18 -1.33 0.00 0.00 177.39 177.49