#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxh s PHE 4004N 0.00 2.87 -0.18 5.58 2.19 -1.26 -4.74 117.98 122.46 2nxh s PHE 4004Ca 0.00 1.13 -0.08 0.00 0.33 0.00 0.00 56.93 58.31 2nxh s PHE 4004Cb 0.00 -3.87 -0.04 0.00 -1.31 0.00 0.00 43.02 37.79 2nxh s PHE 4004CO 0.00 -2.67 0.10 -1.17 1.83 0.00 0.00 175.22 173.31 2nxh s LEU 4005N -1.22 4.03 -0.25 6.12 2.96 -0.69 -1.21 118.68 128.42 2nxh s LEU 4005Ca 0.55 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.68 2nxh s LEU 4005Cb -0.43 -2.02 0.06 0.00 0.50 0.00 0.00 46.19 44.29 2nxh s LEU 4005CO 0.52 0.21 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.96 2nxh s VAL 4006N 0.14 2.11 -0.41 1.68 1.01 0.01 -0.71 120.40 124.24 2nxh s VAL 4006Ca 0.07 -1.54 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 2nxh s VAL 4006Cb -0.12 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.11 2nxh s VAL 4006CO -0.00 0.02 0.26 -0.63 0.00 0.00 0.00 175.10 174.74 2nxh s ILE 4007N 1.14 4.62 0.28 2.22 1.01 -0.21 -1.80 121.20 128.46 2nxh s ILE 4007Ca -0.08 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.56 2nxh s ILE 4007Cb -0.19 -3.68 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 2nxh s ILE 4007CO -0.06 -0.37 0.08 0.00 0.00 0.00 0.00 174.94 174.59 2nxh s ALA 4008N 1.54 1.96 0.00 9.38 0.00 -1.13 -0.60 121.76 132.90 2nxh s ALA 4008Ca 0.03 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.06 2nxh s ALA 4008Cb -0.21 0.91 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2nxh s ALA 4008CO 0.06 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2nxh n GLY 4009N -0.55 1.53 3.78 0.00 0.00 -1.21 -1.11 105.19 107.62 2nxh n GLY 4009Ca -0.01 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 2nxh n GLY 4009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nxh s PRO 4010N -1.51 3.61 0.17 1.61 0.04 -1.20 -0.09 135.00 137.64 2nxh s PRO 4010Ca 0.00 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.51 2nxh s PRO 4010Cb 0.00 -2.18 0.06 0.00 0.04 0.00 0.00 34.50 32.42 2nxh s PRO 4010CO 0.00 -0.64 1.84 -0.97 0.04 0.00 0.00 177.00 177.27 2nxh h ASN 4011N 1.61 0.60 -4.49 6.66 -1.24 -1.85 -3.35 115.58 113.52 2nxh h ASN 4011Ca -0.50 -0.02 -0.31 0.00 0.71 0.00 0.00 56.30 56.19 2nxh h ASN 4011Cb 1.25 -0.15 -0.19 0.00 0.73 0.00 0.00 38.32 39.96 2nxh h ASN 4011CO 0.59 0.43 -0.73 0.00 -1.29 0.00 0.00 177.43 176.42 2nxh s ALA 4012N -6.15 1.00 -1.15 1.57 0.00 -1.26 -1.98 121.76 113.79 2nxh s ALA 4012Ca -0.13 -1.10 -0.21 0.00 0.00 0.00 0.00 51.96 50.52 2nxh s ALA 4012Cb 0.12 0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.33 2nxh s ALA 4012CO 0.74 -0.03 1.62 0.42 0.00 0.00 0.00 175.76 178.51 2nxh s ILE 4013N -2.22 3.99 0.16 0.00 1.01 -0.91 -4.74 121.20 118.50 2nxh s ILE 4013Ca 0.02 -1.30 -0.00 0.00 0.00 0.00 0.00 60.65 59.36 2nxh s ILE 4013Cb -0.04 -5.08 -0.14 0.00 0.01 0.00 0.00 42.46 37.21 2nxh s ILE 4013CO -0.00 -1.93 1.39 -0.33 0.00 0.00 0.00 174.94 174.07 2nxh h GLU 4014N 8.78 0.32 -1.66 2.79 5.08 -1.97 -3.42 114.58 124.49 2nxh h GLU 4014Ca 0.32 -0.31 0.24 0.00 -1.00 0.00 0.00 59.36 58.61 2nxh h GLU 4014Cb 0.94 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 30.11 2nxh h GLU 4014CO 1.43 0.98 0.74 -1.54 -1.00 0.00 0.00 179.01 179.63 2nxh s SER 4015N -6.98 -0.16 0.32 1.42 1.04 -1.26 -5.02 113.70 103.05 2nxh s SER 4015Ca -0.05 -0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.39 2nxh s SER 4015Cb 0.10 0.21 0.54 0.00 0.10 0.00 0.00 66.02 66.97 2nxh s SER 4015CO 0.84 -0.35 1.80 -0.08 0.98 0.00 0.00 173.24 176.43 2nxh h GLU 4016N 2.00 0.41 -0.46 4.02 4.81 -1.97 -2.31 114.58 121.07 2nxh h GLU 4016Ca -0.16 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 2nxh h GLU 4016Cb 1.19 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2nxh h GLU 4016CO 0.25 0.58 0.31 1.49 -0.73 0.00 0.00 179.01 180.92 2nxh h GLU 4017N 0.38 0.38 0.05 1.92 4.81 -1.99 -0.93 114.58 119.20 2nxh h GLU 4017Ca 0.07 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2nxh h GLU 4017Cb 0.54 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2nxh h GLU 4017CO 0.04 0.25 -0.02 1.25 -0.73 0.00 0.00 179.01 179.79 2nxh h LEU 4018N 0.39 -0.05 -2.47 1.64 5.85 -1.82 -2.37 115.31 116.48 2nxh h LEU 4018Ca 0.20 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2nxh h LEU 4018Cb 0.30 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2nxh h LEU 4018CO -0.05 0.62 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.58 2nxh h LEU 4019N -0.78 0.00 0.18 2.25 3.38 -1.24 -1.64 115.31 117.47 2nxh h LEU 4019Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.61 2nxh h LEU 4019Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 2nxh h LEU 4019CO 0.01 0.03 -1.75 -0.07 0.09 0.00 0.00 178.44 176.74 2nxh h LEU 4020N 0.00 0.60 -0.29 1.67 3.38 -1.22 -0.18 115.31 119.26 2nxh h LEU 4020Ca -0.00 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 2nxh h LEU 4020Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2nxh h LEU 4020CO 0.00 1.77 0.08 0.50 0.09 0.00 0.00 178.44 180.89 2nxh h LYS 4021N 0.10 0.46 -0.05 1.13 3.64 -1.01 -0.39 116.57 120.46 2nxh h LYS 4021Ca -0.34 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 58.81 2nxh h LYS 4021Cb 2.10 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.86 2nxh h LYS 4021CO 0.17 0.53 -0.46 0.28 -2.27 0.00 0.00 179.45 177.70 2nxh h VAL 4022N 0.31 1.42 -1.00 2.00 2.07 -1.45 -3.08 116.25 116.51 2nxh h VAL 4022Ca 0.09 -1.88 0.13 0.00 0.82 0.00 0.00 66.70 65.86 2nxh h VAL 4022Cb 0.26 2.40 -0.09 0.00 -1.52 0.00 0.00 31.29 32.35 2nxh h VAL 4022CO -0.00 0.55 0.63 1.23 0.02 0.00 0.00 177.57 180.00 2nxh h GLY 4023N -0.08 1.66 1.00 2.17 0.00 -0.96 0.10 103.07 106.96 2nxh h GLY 4023Ca -0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 2nxh h GLY 4023CO 0.09 0.14 0.28 -2.09 0.00 0.00 0.00 176.54 174.96 2nxh h GLU 4024N 0.97 0.95 -0.55 4.80 4.81 -1.10 -1.49 114.58 122.98 2nxh h GLU 4024Ca 0.50 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.51 2nxh h GLU 4024Cb 0.52 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2nxh h GLU 4024CO -0.28 0.78 0.08 1.49 -0.73 0.00 0.00 179.01 180.36 2nxh h GLU 4025N 0.90 0.91 -0.21 1.92 4.57 -0.96 -1.15 114.58 120.56 2nxh h GLU 4025Ca 0.22 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 2nxh h GLU 4025Cb 0.17 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2nxh h GLU 4025CO -0.02 0.88 -0.12 0.82 -1.18 0.00 0.00 179.01 179.39 2nxh h ILE 4026N 0.80 1.20 0.06 2.32 2.04 -0.86 -1.42 117.51 121.65 2nxh h ILE 4026Ca 0.17 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 2nxh h ILE 4026Cb 0.42 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2nxh h ILE 4026CO 0.01 0.27 -0.03 0.50 0.00 0.00 0.00 178.15 178.91 2nxh h LYS 4027N 0.31 -0.08 -0.64 2.37 1.63 -0.81 0.39 116.57 119.75 2nxh h LYS 4027Ca 0.06 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.98 2nxh h LYS 4027Cb 0.41 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.97 2nxh h LYS 4027CO 0.02 0.22 0.21 -0.09 -3.45 0.00 0.00 179.45 176.37 2nxh h ARG 4028N -0.38 0.36 -0.49 1.90 2.43 -0.87 0.11 114.38 117.43 2nxh h ARG 4028Ca -0.01 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 2nxh h ARG 4028Cb 0.34 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2nxh h ARG 4028CO 0.01 0.24 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.59 2nxh h LEU 4029N 0.37 0.90 -1.77 3.80 4.07 -1.12 -1.37 115.31 120.19 2nxh h LEU 4029Ca 0.33 -0.33 0.15 0.00 0.08 0.00 0.00 57.88 58.11 2nxh h LEU 4029Cb 0.46 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.92 2nxh h LEU 4029CO -0.36 1.02 0.45 -1.28 -1.08 0.00 0.00 178.44 177.19 2nxh h SER 4030N 0.77 0.22 0.51 -0.43 0.87 0.16 0.15 113.55 115.79 2nxh h SER 4030Ca 0.13 0.01 -0.30 0.00 -1.23 0.00 0.00 61.79 60.41 2nxh h SER 4030Cb 0.59 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2nxh h SER 4030CO 0.04 0.12 -1.45 -0.33 -0.53 0.00 0.00 176.83 174.67 2nxh h GLU 4031N 0.23 0.25 -0.08 2.24 4.39 -0.53 -3.35 114.58 117.73 2nxh h GLU 4031Ca 0.32 -0.43 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 2nxh h GLU 4031Cb 0.92 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2nxh h GLU 4031CO -0.07 1.14 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.54 2nxh h LYS 4032N 0.07 0.26 -3.32 2.33 3.64 -0.09 -3.36 116.57 116.10 2nxh h LYS 4032Ca -0.21 -0.16 -0.75 0.00 -1.27 0.00 0.00 60.65 58.25 2nxh h LYS 4032Cb 2.00 0.02 -0.32 0.00 -0.41 0.00 0.00 32.23 33.53 2nxh h LYS 4032CO 0.17 0.75 0.22 1.19 -2.27 0.00 0.00 179.45 179.52 2nxh n PHE 4033N -4.59 4.41 0.28 1.91 3.01 -0.09 -4.87 117.46 117.52 2nxh n PHE 4033Ca -0.07 -3.86 0.13 0.00 1.01 0.00 0.00 57.45 54.65 2nxh n PHE 4033Cb 0.38 -1.36 0.80 0.00 -0.01 0.00 0.00 39.48 39.29 2nxh n PHE 4033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2nxh h LYS 4034N 6.11 0.00 0.00 -1.08 1.79 -1.73 -1.71 116.57 119.94 2nxh h LYS 4034Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2nxh h LYS 4034Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2nxh h LYS 4034CO 0.98 0.04 0.00 -1.91 -1.08 0.00 0.00 179.45 177.48 2nxh n GLU 4035N -3.96 0.73 -4.79 3.15 4.07 -1.26 -4.72 120.64 113.86 2nxh n GLU 4035Ca -0.03 0.01 -0.33 0.00 -0.06 0.00 0.00 57.16 56.75 2nxh n GLU 4035Cb 0.13 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 29.87 2nxh n GLU 4035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2nxh s VAL 4036N -2.20 3.16 -0.26 6.31 1.01 -0.65 -4.01 120.40 123.76 2nxh s VAL 4036Ca 0.38 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 2nxh s VAL 4036Cb 0.19 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2nxh s VAL 4036CO 0.36 0.55 0.41 -0.70 0.00 0.00 0.00 175.10 175.73 2nxh s GLU 4037N -0.14 4.05 0.21 2.72 2.12 -0.35 -4.96 118.70 122.35 2nxh s GLU 4037Ca -0.01 0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.46 2nxh s GLU 4037Cb -0.13 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 2nxh s GLU 4037CO 0.03 -0.27 0.38 -0.06 -0.54 0.00 0.00 175.26 174.80 2nxh s PHE 4038N 2.05 3.48 -0.17 5.30 0.40 -1.26 -0.81 117.98 126.97 2nxh s PHE 4038Ca 0.17 0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.69 2nxh s PHE 4038Cb -0.16 -1.77 0.08 0.00 0.51 0.00 0.00 43.02 41.69 2nxh s PHE 4038CO 0.09 0.39 0.26 0.08 0.70 0.00 0.00 175.22 176.75 2nxh s VAL 4039N -1.90 -0.41 0.21 -0.44 1.01 -0.75 -4.19 120.40 113.94 2nxh s VAL 4039Ca 0.37 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2nxh s VAL 4039Cb -0.11 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 2nxh s VAL 4039CO 0.30 -0.03 1.35 0.12 0.00 0.00 0.00 175.10 176.83 2nxh s PHE 4040N 2.40 3.18 0.01 5.22 5.36 0.52 -2.85 117.98 131.83 2nxh s PHE 4040Ca 0.05 1.16 0.04 0.00 -0.96 0.00 0.00 56.93 57.21 2nxh s PHE 4040Cb -0.14 -3.67 -0.01 0.00 -0.34 0.00 0.00 43.02 38.86 2nxh s PHE 4040CO -0.11 -2.13 -0.11 0.21 -1.46 0.00 0.00 175.22 171.62 2nxh s LYS 4041N -0.18 0.85 -0.29 10.12 2.36 -0.27 -1.28 119.74 131.05 2nxh s LYS 4041Ca 0.58 -0.51 -0.26 0.00 -2.55 0.00 0.00 55.97 53.23 2nxh s LYS 4041Cb -0.38 -0.82 0.17 0.00 -1.05 0.00 0.00 37.83 35.74 2nxh s LYS 4041CO 0.40 0.22 1.30 0.45 1.55 0.00 0.00 175.35 179.27 2nxh s SER 4042N -0.58 -0.18 -0.09 1.43 0.15 -1.21 -3.29 113.70 109.93 2nxh s SER 4042Ca 0.02 0.32 -0.15 0.00 0.70 0.00 0.00 55.95 56.85 2nxh s SER 4042Cb -0.05 0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 64.53 2nxh s SER 4042CO 0.00 -0.07 0.37 -0.44 1.20 0.00 0.00 173.24 174.30 2nxh s SER 4043N -0.05 6.63 0.04 5.45 0.01 -0.84 -4.54 113.70 120.41 2nxh s SER 4043Ca 0.06 0.75 0.28 0.00 1.31 0.00 0.00 55.95 58.35 2nxh s SER 4043Cb -0.04 -2.22 1.05 0.00 0.21 0.00 0.00 66.02 65.01 2nxh s SER 4043CO -0.12 0.18 1.82 2.22 0.41 0.00 0.00 173.24 177.76 2nxh n PHE 4044N 2.84 0.20 -3.64 2.43 1.16 -1.26 -2.14 117.46 117.05 2nxh n PHE 4044Ca -0.12 0.06 -0.05 0.00 -1.87 0.00 0.00 57.45 55.46 2nxh n PHE 4044Cb 0.52 -0.56 -0.07 0.00 -1.61 0.00 0.00 39.48 37.76 2nxh n PHE 4044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2nxh s ASP 4045N -3.33 -0.79 -0.94 5.98 2.15 -1.26 -3.81 116.67 114.67 2nxh s ASP 4045Ca 0.13 1.25 -0.14 0.00 0.43 0.00 0.00 52.55 54.22 2nxh s ASP 4045Cb 0.17 1.33 0.20 0.00 -0.30 0.00 0.00 42.92 44.32 2nxh s ASP 4045CO 0.57 -0.20 0.98 -0.54 -0.17 0.00 0.00 175.17 175.81 2nxh s LYS 4046N 1.54 3.76 0.00 4.34 -0.14 -0.74 -4.86 119.74 123.63 2nxh s LYS 4046Ca -0.10 -2.44 0.14 0.00 -1.36 0.00 0.00 55.97 52.21 2nxh s LYS 4046Cb -0.05 -4.63 0.65 0.00 -1.68 0.00 0.00 37.83 32.12 2nxh s LYS 4046CO -0.18 -1.44 1.44 0.00 -0.76 0.00 0.00 175.35 174.41 2nxh n ALA 4047N 4.53 2.54 -1.58 5.17 0.00 -1.26 -3.89 120.51 126.01 2nxh n ALA 4047Ca 0.20 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.44 2nxh n ALA 4047Cb 0.46 -1.13 0.08 0.00 0.00 0.00 0.00 19.45 18.85 2nxh n ALA 4047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nxh n ASN 4048N -0.28 1.25 -4.60 0.00 0.23 -1.26 -5.09 115.26 105.52 2nxh n ASN 4048Ca 0.11 -2.63 -0.33 0.00 -0.53 0.00 0.00 54.58 51.20 2nxh n ASN 4048Cb 0.14 -0.33 0.13 0.00 -2.08 0.00 0.00 39.78 37.64 2nxh n ASN 4048CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2nxh n ARG 4049N -0.70 -0.03 -0.01 -3.83 5.12 -1.25 -4.94 116.66 111.02 2nxh n ARG 4049Ca 0.09 0.06 -0.17 0.00 -1.93 0.00 0.00 57.85 55.90 2nxh n ARG 4049Cb 0.70 -2.23 -0.11 0.00 -1.16 0.00 0.00 32.46 29.66 2nxh n ARG 4049CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2nxh h SER 4050N -1.18 0.50 -2.71 0.55 0.02 -1.97 -3.45 113.55 105.31 2nxh h SER 4050Ca -0.45 -0.74 -0.66 0.00 -0.84 0.00 0.00 61.79 59.10 2nxh h SER 4050Cb 1.30 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.62 2nxh h SER 4050CO 0.42 1.17 -0.46 -0.55 -1.14 0.00 0.00 176.83 176.27 2nxh s SER 4051N -6.67 6.42 0.55 3.07 0.15 -1.23 -4.98 113.70 111.01 2nxh s SER 4051Ca -0.13 0.48 0.33 0.00 0.70 0.00 0.00 55.95 57.32 2nxh s SER 4051Cb 0.03 -2.07 1.59 0.00 -1.71 0.00 0.00 66.02 63.86 2nxh s SER 4051CO 0.81 0.37 2.09 -0.29 1.20 0.00 0.00 173.24 177.42 2nxh h ILE 4052N 3.71 0.29 -0.01 6.45 6.09 -1.94 -1.84 117.51 130.26 2nxh h ILE 4052Ca -0.53 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 62.49 2nxh h ILE 4052Cb 1.22 1.36 0.00 0.00 0.47 0.00 0.00 36.82 39.87 2nxh h ILE 4052CO 0.61 0.07 -0.11 1.41 -3.07 0.00 0.00 178.15 177.05 2nxh n HIS 4053N -3.34 0.00 -2.95 2.19 8.25 -1.26 -4.92 115.22 113.19 2nxh n HIS 4053Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 2nxh n HIS 4053Cb 0.24 -0.10 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 2nxh n HIS 4053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2nxh s SER 4054N -2.31 7.12 0.24 0.41 0.01 -0.69 -5.00 113.70 113.47 2nxh s SER 4054Ca 0.32 1.59 -0.32 0.00 1.31 0.00 0.00 55.95 58.86 2nxh s SER 4054Cb 0.20 -2.49 -0.13 0.00 0.21 0.00 0.00 66.02 63.82 2nxh s SER 4054CO 0.44 -0.08 1.54 0.33 0.41 0.00 0.00 173.24 175.88 2nxh n PHE 4055N 0.37 2.48 -0.01 2.43 7.35 -1.26 -4.94 117.46 123.88 2nxh n PHE 4055Ca 0.01 0.29 -0.03 0.00 -0.76 0.00 0.00 57.45 56.96 2nxh n PHE 4055Cb 0.51 -2.55 -0.01 0.00 0.35 0.00 0.00 39.48 37.78 2nxh n PHE 4055CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2nxh n ARG 4056N 2.62 0.20 -2.17 -4.13 1.74 -1.26 -4.74 116.66 108.91 2nxh n ARG 4056Ca 0.12 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2nxh n ARG 4056Cb 0.33 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 2nxh n ARG 4056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nxh n GLY 4057N 2.51 -0.58 0.11 -0.13 0.00 -1.26 -1.79 105.19 104.05 2nxh n GLY 4057Ca -0.05 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.32 2nxh n GLY 4057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nxh n HIS 4058N 4.42 0.00 0.00 1.61 8.25 -1.25 -5.05 115.22 123.20 2nxh n HIS 4058Ca 0.00 -0.77 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 2nxh n HIS 4058Cb 0.00 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 30.99 2nxh n HIS 4058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nxh n GLY 4059N -1.07 1.38 0.20 -1.41 0.00 -1.25 -4.42 105.19 98.62 2nxh n GLY 4059Ca 0.11 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 2nxh n GLY 4059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nxh h LEU 4060N 0.00 -0.35 -1.37 0.99 5.85 -2.00 -2.03 115.31 116.41 2nxh h LEU 4060Ca 0.00 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.68 2nxh h LEU 4060Cb 0.00 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2nxh h LEU 4060CO 0.00 -0.07 0.49 -0.33 -0.34 0.00 0.00 178.44 178.19 2nxh h GLU 4061N -0.63 0.72 -0.34 1.25 5.08 -1.98 0.10 114.58 118.78 2nxh h GLU 4061Ca -0.04 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 2nxh h GLU 4061Cb 0.45 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2nxh h GLU 4061CO 0.07 0.48 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.34 2nxh h TYR 4062N 0.74 0.96 0.09 4.33 3.20 -1.76 -2.96 116.97 121.56 2nxh h TYR 4062Ca 0.34 -0.28 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2nxh h TYR 4062Cb 0.34 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2nxh h TYR 4062CO -0.00 1.05 -0.04 0.78 -1.64 0.00 0.00 178.16 178.31 2nxh h GLY 4063N 0.59 -0.12 0.42 1.82 0.00 -0.43 -1.47 103.07 103.88 2nxh h GLY 4063Ca 0.06 0.04 0.11 0.00 0.00 0.00 0.00 47.33 47.54 2nxh h GLY 4063CO 0.08 -0.04 0.42 -2.08 0.00 0.00 0.00 176.54 174.92 2nxh h VAL 4064N -0.40 0.84 -0.44 4.60 2.07 -0.95 0.47 116.25 122.44 2nxh h VAL 4064Ca -0.01 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2nxh h VAL 4064Cb 0.34 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2nxh h VAL 4064CO 0.02 0.12 0.20 0.50 0.02 0.00 0.00 177.57 178.43 2nxh h LYS 4065N 0.68 0.65 -0.56 1.57 3.64 -1.44 -0.54 116.57 120.57 2nxh h LYS 4065Ca 0.40 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.61 2nxh h LYS 4065Cb 0.44 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2nxh h LYS 4065CO -0.29 0.57 0.10 0.00 -2.27 0.00 0.00 179.45 177.56 2nxh h ALA 4066N 1.05 1.12 -0.09 5.00 0.00 -0.16 -2.43 119.26 123.74 2nxh h ALA 4066Ca 0.15 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2nxh h ALA 4066Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2nxh h ALA 4066CO -0.02 0.58 -0.56 -0.07 0.00 0.00 0.00 179.25 179.19 2nxh h LEU 4067N 0.85 0.32 -0.21 0.00 3.38 -0.72 -3.02 115.31 115.91 2nxh h LEU 4067Ca 0.18 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2nxh h LEU 4067Cb 0.36 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2nxh h LEU 4067CO 0.01 0.82 0.09 -0.09 0.09 0.00 0.00 178.44 179.35 2nxh h ARG 4068N 0.22 0.19 0.02 1.13 2.43 -0.64 -0.67 114.38 117.07 2nxh h ARG 4068Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2nxh h ARG 4068Cb 1.05 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 2nxh h ARG 4068CO 0.09 0.13 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.26 2nxh h LYS 4069N 0.20 -0.31 -0.40 0.20 1.63 -1.39 0.21 116.57 116.71 2nxh h LYS 4069Ca 0.09 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.98 2nxh h LYS 4069Cb 0.04 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.68 2nxh h LYS 4069CO -0.08 -0.21 0.02 0.28 -3.45 0.00 0.00 179.45 176.01 2nxh h VAL 4070N -0.32 0.72 0.60 2.00 2.07 -1.38 0.45 116.25 120.39 2nxh h VAL 4070Ca 0.05 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 2nxh h VAL 4070Cb 0.39 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2nxh h VAL 4070CO -0.17 0.02 -0.35 0.50 0.02 0.00 0.00 177.57 177.60 2nxh h LYS 4071N 0.12 -0.85 -0.48 1.57 3.64 -0.54 -1.20 116.57 118.83 2nxh h LYS 4071Ca 0.19 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2nxh h LYS 4071Cb 0.27 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2nxh h LYS 4071CO -0.31 -0.57 0.11 0.93 -2.27 0.00 0.00 179.45 177.34 2nxh h GLU 4072N -0.88 0.72 0.09 1.90 5.08 -0.48 0.97 114.58 121.99 2nxh h GLU 4072Ca -0.08 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2nxh h GLU 4072Cb 0.70 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2nxh h GLU 4072CO 0.10 0.66 -0.04 1.49 -1.00 0.00 0.00 179.01 180.21 2nxh h GLU 4073N 0.70 -0.12 0.00 2.33 4.81 -0.08 -3.35 114.58 118.87 2nxh h GLU 4073Ca 0.16 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2nxh h GLU 4073Cb 0.27 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2nxh h GLU 4073CO -0.00 0.29 -1.16 1.19 -0.73 0.00 0.00 179.01 178.60 2nxh n PHE 4074N -4.95 0.01 -2.76 0.92 3.72 -0.46 -5.01 117.46 108.94 2nxh n PHE 4074Ca -0.09 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.22 2nxh n PHE 4074Cb 0.24 -0.11 0.05 0.00 -0.94 0.00 0.00 39.48 38.71 2nxh n PHE 4074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nxh n GLY 4075N 1.45 -0.21 3.29 1.37 0.00 0.34 -4.98 105.19 106.45 2nxh n GLY 4075Ca 0.03 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2nxh n GLY 4075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nxh s LEU 4076N -4.62 2.14 0.83 0.99 1.43 -1.17 -5.05 118.68 113.23 2nxh s LEU 4076Ca 0.13 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 2nxh s LEU 4076Cb -0.02 -1.14 0.10 0.00 0.03 0.00 0.00 46.19 45.16 2nxh s LEU 4076CO 0.46 0.22 1.12 -0.54 0.23 0.00 0.00 176.35 177.84 2nxh s LYS 4077N -1.08 1.70 0.09 1.70 1.02 -1.26 -4.47 119.74 117.44 2nxh s LYS 4077Ca 0.09 1.36 0.05 0.00 0.02 0.00 0.00 55.97 57.50 2nxh s LYS 4077Cb -0.09 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2nxh s LYS 4077CO 0.01 -2.09 -0.13 0.42 -0.92 0.00 0.00 175.35 172.64 2nxh s ILE 4078N -2.75 1.13 -0.06 2.17 -1.09 -1.26 -0.35 121.20 118.99 2nxh s ILE 4078Ca 0.64 -1.46 -0.15 0.00 -2.23 0.00 0.00 60.65 57.46 2nxh s ILE 4078Cb -0.20 -1.22 0.03 0.00 -1.58 0.00 0.00 42.46 39.49 2nxh s ILE 4078CO 0.56 -0.33 0.35 0.28 -1.23 0.00 0.00 174.94 174.58 2nxh s THR 4079N -1.67 0.03 0.14 2.92 -1.32 -0.41 0.44 115.64 115.78 2nxh s THR 4079Ca 0.02 -0.29 -0.22 0.00 -1.21 0.00 0.00 61.69 59.99 2nxh s THR 4079Cb -0.08 -0.60 0.06 0.00 -1.51 0.00 0.00 72.50 70.38 2nxh s THR 4079CO 0.02 -0.16 0.57 0.28 -2.21 0.00 0.00 174.62 173.12 2nxh s THR 4080N -0.79 0.01 -0.04 5.08 -1.32 -1.18 -3.36 115.64 114.04 2nxh s THR 4080Ca -0.09 -0.10 -0.07 0.00 -1.21 0.00 0.00 61.69 60.22 2nxh s THR 4080Cb -0.04 -1.03 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2nxh s THR 4080CO 0.03 -0.05 0.24 1.51 -2.21 0.00 0.00 174.62 174.14 2nxh s ASP 4081N -2.68 6.49 0.09 8.08 -4.77 -1.26 -1.20 116.67 121.43 2nxh s ASP 4081Ca 0.01 0.57 0.04 0.00 -3.30 0.00 0.00 52.55 49.87 2nxh s ASP 4081Cb -0.00 -2.10 -0.04 0.00 -1.09 0.00 0.00 42.92 39.69 2nxh s ASP 4081CO -0.12 0.32 0.02 0.27 0.70 0.00 0.00 175.17 176.36 2nxh s ILE 4082N -1.18 4.13 -0.06 2.11 -4.36 -0.86 -4.76 121.20 116.23 2nxh s ILE 4082Ca 0.23 -0.95 0.05 0.00 -0.26 0.00 0.00 60.65 59.72 2nxh s ILE 4082Cb -0.13 -2.98 -0.07 0.00 1.25 0.00 0.00 42.46 40.54 2nxh s ILE 4082CO 0.12 0.12 0.12 1.41 0.24 0.00 0.00 174.94 176.95 2nxh n HIS 4083N 0.52 0.00 -3.91 1.37 8.25 -1.26 -4.38 115.22 115.82 2nxh n HIS 4083Ca -0.10 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.25 2nxh n HIS 4083Cb 0.52 -0.08 -0.12 0.00 1.12 0.00 0.00 29.99 31.43 2nxh n HIS 4083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2nxh s GLU 4084N -2.10 0.20 0.25 -0.41 2.02 -1.26 -5.06 118.70 112.35 2nxh s GLU 4084Ca -0.01 -0.27 -0.12 0.00 0.02 0.00 0.00 54.97 54.59 2nxh s GLU 4084Cb 0.03 0.08 0.35 0.00 0.10 0.00 0.00 34.13 34.68 2nxh s GLU 4084CO 0.19 -0.04 1.56 0.77 0.02 0.00 0.00 175.26 177.77 2nxh h SER 4085N 5.31 -1.09 0.00 -0.19 0.02 -1.89 0.04 113.55 115.76 2nxh h SER 4085Ca -0.28 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2nxh h SER 4085Cb 1.21 0.64 0.00 0.00 0.14 0.00 0.00 62.40 64.39 2nxh h SER 4085CO 0.45 -0.30 0.10 4.11 -1.14 0.00 0.00 176.83 180.04 2nxh h TRP 4086N -0.01 0.00 0.00 3.45 5.08 -1.97 -1.52 115.95 120.98 2nxh h TRP 4086Ca 0.40 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.37 2nxh h TRP 4086Cb 0.65 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.81 2nxh h TRP 4086CO -0.77 0.00 -0.16 1.04 -1.28 0.00 0.00 178.44 177.26 2nxh n GLN 4087N -2.36 0.13 0.19 0.12 6.02 0.00 -4.21 117.38 117.26 2nxh n GLN 4087Ca -0.02 0.08 -0.07 0.00 -0.01 0.00 0.00 57.00 56.98 2nxh n GLN 4087Cb 0.13 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 2nxh n GLN 4087CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2nxh h ALA 4088N 2.78 -1.12 -0.98 -1.58 0.00 -1.41 -2.09 119.26 114.85 2nxh h ALA 4088Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2nxh h ALA 4088Cb 0.61 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.47 2nxh h ALA 4088CO 0.00 -1.09 -0.58 1.49 0.00 0.00 0.00 179.25 179.07 2nxh h GLU 4089N -0.47 -0.01 -0.81 0.00 4.81 -1.79 0.13 114.58 116.44 2nxh h GLU 4089Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2nxh h GLU 4089Cb 0.36 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 2nxh h GLU 4089CO 0.08 -0.01 0.46 -1.00 -0.73 0.00 0.00 179.01 177.81 2nxh h PRO 4090N -0.01 1.11 -0.51 0.92 0.13 -1.76 -2.91 132.00 128.96 2nxh h PRO 4090Ca 0.16 -0.11 -0.12 0.00 -0.87 0.00 0.00 66.00 65.06 2nxh h PRO 4090Cb 0.42 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 2nxh h PRO 4090CO -0.93 0.79 -0.17 0.28 -0.23 0.00 0.00 178.00 177.74 2nxh h VAL 4091N 1.12 1.27 0.00 1.56 2.07 -0.44 -2.96 116.25 118.87 2nxh h VAL 4091Ca 0.29 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2nxh h VAL 4091Cb -0.01 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2nxh h VAL 4091CO -0.05 0.47 0.11 0.00 0.02 0.00 0.00 177.57 178.11 2nxh n ALA 4092N -2.51 0.89 0.10 1.67 0.00 0.30 -1.51 120.51 119.45 2nxh n ALA 4092Ca 0.01 0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.63 2nxh n ALA 4092Cb 0.44 -1.12 0.35 0.00 0.00 0.00 0.00 19.45 19.11 2nxh n ALA 4092CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2nxh h GLU 4093N 0.00 0.27 0.00 0.00 4.39 -1.57 -3.36 114.58 114.31 2nxh h GLU 4093Ca 0.00 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2nxh h GLU 4093Cb 0.21 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2nxh h GLU 4093CO 0.00 0.44 -1.16 0.28 -1.16 0.00 0.00 179.01 177.41 2nxh n VAL 4094N -4.23 0.16 -2.37 3.13 0.31 -0.65 -5.03 118.33 109.64 2nxh n VAL 4094Ca -0.01 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 2nxh n VAL 4094Cb 0.30 -0.67 -0.03 0.00 -0.91 0.00 0.00 33.84 32.54 2nxh n VAL 4094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nxh s ALA 4095N -2.06 3.58 -0.03 3.52 0.00 -0.57 -4.55 121.76 121.65 2nxh s ALA 4095Ca -0.03 0.63 0.16 0.00 0.00 0.00 0.00 51.96 52.71 2nxh s ALA 4095Cb 0.01 -3.59 0.23 0.00 0.00 0.00 0.00 23.12 19.78 2nxh s ALA 4095CO 0.07 -0.99 1.52 -0.44 0.00 0.00 0.00 175.76 175.92 2nxh h ASP 4096N 7.95 0.00 -3.24 0.00 3.32 -0.34 -3.43 116.42 120.68 2nxh h ASP 4096Ca -0.32 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.28 2nxh h ASP 4096Cb 1.14 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.31 2nxh h ASP 4096CO 0.92 0.51 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.55 2nxh s ILE 4097N -3.13 0.47 -0.22 0.35 1.01 -0.91 -2.28 121.20 116.48 2nxh s ILE 4097Ca 0.03 0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.52 2nxh s ILE 4097Cb 0.09 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 2nxh s ILE 4097CO 0.73 0.26 0.59 -0.63 0.00 0.00 0.00 174.94 175.90 2nxh s ILE 4098N 1.93 5.03 -0.13 2.92 1.01 0.15 -3.11 121.20 129.01 2nxh s ILE 4098Ca 0.05 1.09 -0.17 0.00 0.00 0.00 0.00 60.65 61.62 2nxh s ILE 4098Cb -0.12 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2nxh s ILE 4098CO -0.06 0.10 0.42 -1.58 0.00 0.00 0.00 174.94 173.82 2nxh s GLN 4099N 2.06 4.31 -0.33 2.79 0.74 -0.34 -1.29 119.66 127.60 2nxh s GLN 4099Ca 0.26 0.33 -0.11 0.00 0.05 0.00 0.00 55.36 55.90 2nxh s GLN 4099Cb -0.16 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.52 2nxh s GLN 4099CO 0.10 0.19 0.18 0.42 -0.55 0.00 0.00 175.29 175.63 2nxh s ILE 4100N 0.55 4.79 0.66 -2.34 -1.09 -0.17 -2.03 121.20 121.56 2nxh s ILE 4100Ca 0.23 -0.43 -0.17 0.00 -2.23 0.00 0.00 60.65 58.05 2nxh s ILE 4100Cb -0.14 -3.48 -0.07 0.00 -1.58 0.00 0.00 42.46 37.18 2nxh s ILE 4100CO 0.08 0.00 0.37 -2.65 -1.23 0.00 0.00 174.94 171.52 2nxh n PRO 4101N 5.02 0.31 -0.00 2.79 -0.02 -1.26 -1.12 135.00 140.72 2nxh n PRO 4101Ca -0.13 0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 2nxh n PRO 4101Cb 0.49 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 2nxh n PRO 4101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nxh h ALA 4102N -0.16 -0.02 0.00 3.55 0.00 -1.88 -1.45 119.26 119.31 2nxh h ALA 4102Ca -0.45 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2nxh h ALA 4102Cb 1.38 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 2nxh h ALA 4102CO 0.43 -0.57 -0.01 0.74 0.00 0.00 0.00 179.25 179.85 2nxh h PHE 4103N -0.14 0.00 -0.52 0.00 0.04 -1.91 -2.76 116.94 111.65 2nxh h PHE 4103Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 2nxh h PHE 4103Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2nxh h PHE 4103CO -0.24 0.01 0.00 1.28 -0.60 0.00 0.00 178.31 178.76 2nxh n LEU 4104N -3.14 3.57 0.02 1.54 4.77 -0.60 -4.56 117.00 118.59 2nxh n LEU 4104Ca -0.02 -2.10 0.03 0.00 -0.03 0.00 0.00 56.01 53.88 2nxh n LEU 4104Cb 0.14 -0.38 0.12 0.00 -2.33 0.00 0.00 43.42 40.97 2nxh n LEU 4104CO 0.23 0.84 0.58 0.00 -1.33 0.00 0.00 177.39 177.70 2nxh n ARG 4106N -1.58 1.25 -2.05 0.00 5.12 -1.26 -4.90 116.66 113.23 2nxh n ARG 4106Ca 0.01 -0.05 -0.32 0.00 -1.93 0.00 0.00 57.85 55.55 2nxh n ARG 4106Cb 0.04 -1.31 -0.04 0.00 -1.16 0.00 0.00 32.46 29.99 2nxh n ARG 4106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2nxh s GLN 4107N -2.74 2.60 0.23 5.56 -1.52 -0.78 -4.86 119.66 118.15 2nxh s GLN 4107Ca 0.02 0.12 -0.11 0.00 -1.95 0.00 0.00 55.36 53.44 2nxh s GLN 4107Cb 0.12 -4.74 0.32 0.00 -0.22 0.00 0.00 33.01 28.49 2nxh s GLN 4107CO 0.68 -3.06 1.61 1.15 -0.25 0.00 0.00 175.29 175.43 2nxh h THR 4108N 7.07 0.27 -0.72 -0.19 2.02 -1.90 -1.23 112.91 118.23 2nxh h THR 4108Ca -0.07 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2nxh h THR 4108Cb 1.08 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2nxh h THR 4108CO 1.22 0.00 0.40 0.44 0.37 0.00 0.00 175.52 177.95 2nxh h ASP 4109N 0.01 0.89 -0.43 4.18 3.32 -1.99 -0.87 116.42 121.54 2nxh h ASP 4109Ca 0.36 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 2nxh h ASP 4109Cb 0.57 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2nxh h ASP 4109CO -0.75 0.73 0.13 0.25 -1.72 0.00 0.00 179.24 177.88 2nxh h LEU 4110N 0.99 0.69 0.35 1.55 5.85 -1.63 -0.16 115.31 122.94 2nxh h LEU 4110Ca 0.25 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2nxh h LEU 4110Cb 0.03 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2nxh h LEU 4110CO -0.04 0.67 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.49 2nxh h LEU 4111N 0.72 -0.40 -1.50 2.25 3.38 -0.91 -2.63 115.31 116.23 2nxh h LEU 4111Ca 0.16 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2nxh h LEU 4111Cb 0.25 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2nxh h LEU 4111CO -0.00 0.04 0.49 -0.07 0.09 0.00 0.00 178.44 178.98 2nxh h LEU 4112N -0.94 0.49 -0.74 1.67 3.38 -1.12 -1.19 115.31 116.85 2nxh h LEU 4112Ca -0.05 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2nxh h LEU 4112Cb 0.52 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2nxh h LEU 4112CO 0.08 0.27 0.03 0.00 0.09 0.00 0.00 178.44 178.91 2nxh h ALA 4113N 1.64 0.95 -0.06 1.53 0.00 -1.00 -1.51 119.26 120.81 2nxh h ALA 4113Ca 0.35 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2nxh h ALA 4113Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2nxh h ALA 4113CO -0.12 0.64 -0.70 0.00 0.00 0.00 0.00 179.25 179.07 2nxh h ALA 4114N 1.11 0.70 -0.08 0.00 0.00 -0.87 -3.18 119.26 116.94 2nxh h ALA 4114Ca 0.17 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2nxh h ALA 4114Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2nxh h ALA 4114CO 0.02 0.78 -0.48 0.00 0.00 0.00 0.00 179.25 179.57 2nxh h ALA 4115N 1.07 1.06 -0.35 0.00 0.00 -1.02 -3.11 119.26 116.91 2nxh h ALA 4115Ca -0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2nxh h ALA 4115Cb 1.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2nxh h ALA 4115CO 0.11 0.63 -0.02 -0.22 0.00 0.00 0.00 179.25 179.75 2nxh h LYS 4116N 0.15 0.55 0.00 0.00 3.64 -1.26 -2.48 116.57 117.18 2nxh h LYS 4116Ca 0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2nxh h LYS 4116Cb 0.91 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2nxh h LYS 4116CO 0.07 0.60 0.00 0.25 -2.27 0.00 0.00 179.45 178.10 2nxh n THR 4117N -4.26 1.46 -0.74 1.00 -2.24 -1.17 -4.80 114.28 103.53 2nxh n THR 4117Ca 0.01 0.61 0.00 0.00 -2.27 0.00 0.00 64.05 62.40 2nxh n THR 4117Cb 0.27 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 2nxh n THR 4117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nxh n GLY 4118N -1.32 1.41 3.91 3.38 0.00 -0.94 -5.01 105.19 106.63 2nxh n GLY 4118Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2nxh n GLY 4118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nxh s ARG 4119N -0.03 2.27 0.43 1.61 1.81 -1.26 -4.92 118.95 118.85 2nxh s ARG 4119Ca 0.00 0.00 -0.22 0.00 -1.72 0.00 0.00 55.73 53.79 2nxh s ARG 4119Cb 0.00 -2.08 -0.09 0.00 -0.45 0.00 0.00 34.95 32.33 2nxh s ARG 4119CO 0.00 -1.29 1.02 0.00 -0.68 0.00 0.00 175.30 174.35 2nxh s ALA 4120N -3.36 3.01 -0.08 2.13 0.00 -0.97 -4.76 121.76 117.74 2nxh s ALA 4120Ca 0.60 0.60 0.03 0.00 0.00 0.00 0.00 51.96 53.19 2nxh s ALA 4120Cb -0.11 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.78 2nxh s ALA 4120CO 0.47 -0.15 -0.19 0.08 0.00 0.00 0.00 175.76 175.97 2nxh s VAL 4121N -1.87 1.65 -0.28 0.00 1.01 -0.83 0.34 120.40 120.43 2nxh s VAL 4121Ca 0.61 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2nxh s VAL 4121Cb -0.17 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.81 2nxh s VAL 4121CO 0.22 0.47 -0.05 0.21 0.00 0.00 0.00 175.10 175.94 2nxh s ASN 4122N 0.48 4.64 -0.19 3.32 3.04 -0.41 -0.43 114.94 125.39 2nxh s ASN 4122Ca -0.17 -1.29 -0.13 0.00 0.04 0.00 0.00 52.86 51.31 2nxh s ASN 4122Cb -0.17 -1.64 -0.05 0.00 -1.54 0.00 0.00 41.25 37.86 2nxh s ASN 4122CO 0.07 -0.22 0.26 -0.69 -3.04 0.00 0.00 177.10 173.48 2nxh s VAL 4123N 1.19 5.32 0.02 -5.21 1.01 0.02 -1.00 120.40 121.74 2nxh s VAL 4123Ca -0.06 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 2nxh s VAL 4123Cb -0.20 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2nxh s VAL 4123CO -0.03 0.37 1.05 -0.54 0.00 0.00 0.00 175.10 175.95 2nxh s LYS 4124N 0.69 4.51 0.02 2.72 -0.14 -0.27 -0.83 119.74 126.44 2nxh s LYS 4124Ca 0.14 1.54 -0.30 0.00 -1.36 0.00 0.00 55.97 55.98 2nxh s LYS 4124Cb -0.13 -3.42 -0.06 0.00 -1.68 0.00 0.00 37.83 32.54 2nxh s LYS 4124CO 0.03 -0.13 1.36 0.21 -0.76 0.00 0.00 175.35 176.07 2nxh s LYS 4125N 1.05 4.31 0.53 1.68 2.20 -0.34 -4.15 119.74 125.02 2nxh s LYS 4125Ca 0.54 1.94 -0.22 0.00 -0.36 0.00 0.00 55.97 57.87 2nxh s LYS 4125Cb -0.24 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 2nxh s LYS 4125CO 0.28 -0.52 1.36 0.20 -0.36 0.00 0.00 175.35 176.32 2nxh s GLY 4126N 1.66 2.89 0.00 5.54 0.00 -1.24 -4.61 107.32 111.56 2nxh s GLY 4126Ca 0.63 1.33 0.06 0.00 0.00 0.00 0.00 44.72 46.75 2nxh s GLY 4126CO 0.27 1.86 1.09 -1.06 0.00 0.00 0.00 173.10 175.26 2nxh n GLN 4127N -0.92 0.07 -0.00 2.90 3.00 -1.26 -1.23 117.38 119.94 2nxh n GLN 4127Ca 0.10 0.27 0.06 0.00 -0.01 0.00 0.00 57.00 57.41 2nxh n GLN 4127Cb 0.45 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 29.24 2nxh n GLN 4127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2nxh n PHE 4128N -1.34 0.01 -3.85 1.08 1.16 -1.26 -1.46 117.46 111.80 2nxh n PHE 4128Ca 0.03 -0.01 -0.35 0.00 -1.87 0.00 0.00 57.45 55.24 2nxh n PHE 4128Cb 0.06 -0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.87 2nxh n PHE 4128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2nxh s LEU 4129N -0.97 4.38 0.37 5.98 2.96 -0.36 -5.08 118.68 125.97 2nxh s LEU 4129Ca 0.14 0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 54.42 2nxh s LEU 4129Cb 0.10 -2.37 -0.06 0.00 0.50 0.00 0.00 46.19 44.35 2nxh s LEU 4129CO 0.15 0.33 0.72 0.00 -1.32 0.00 0.00 176.35 176.23 2nxh s ALA 4130N -1.17 3.41 0.17 5.97 0.00 -1.26 -4.86 121.76 124.00 2nxh s ALA 4130Ca 0.22 -0.25 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 2nxh s ALA 4130Cb -0.13 -2.62 0.10 0.00 0.00 0.00 0.00 23.12 20.47 2nxh s ALA 4130CO 0.11 0.08 1.64 -1.35 0.00 0.00 0.00 175.76 176.24 2nxh h PRO 4131N 1.46 -0.11 0.00 0.00 0.11 -1.98 -0.23 132.00 131.25 2nxh h PRO 4131Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2nxh h PRO 4131Cb 1.19 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2nxh h PRO 4131CO 0.65 -0.07 0.00 -2.67 -0.21 0.00 0.00 178.00 175.69 2nxh n TRP 4132N -5.37 0.44 0.56 0.65 2.14 -1.26 -1.97 117.44 112.63 2nxh n TRP 4132Ca 0.02 0.18 0.13 0.00 2.07 0.00 0.00 57.50 59.90 2nxh n TRP 4132Cb 0.28 -0.79 0.45 0.00 -0.81 0.00 0.00 31.31 30.43 2nxh n TRP 4132CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 2nxh n ASP 4133N -1.91 0.70 0.03 -0.67 8.00 -0.10 -2.98 116.55 119.63 2nxh n ASP 4133Ca 0.02 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.25 2nxh n ASP 4133Cb 0.17 -0.78 0.51 0.00 -0.02 0.00 0.00 41.12 41.00 2nxh n ASP 4133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2nxh n THR 4134N -2.20 0.38 -0.24 -3.53 -2.24 -0.83 -3.54 114.28 102.08 2nxh n THR 4134Ca 0.04 -0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.77 2nxh n THR 4134Cb 0.35 -0.66 0.06 0.00 -2.10 0.00 0.00 70.33 67.97 2nxh n THR 4134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2nxh h LYS 4135N 0.00 0.85 0.00 -0.78 3.64 -1.73 -1.47 116.57 117.07 2nxh h LYS 4135Ca 0.00 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2nxh h LYS 4135Cb 0.50 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2nxh h LYS 4135CO 0.00 0.56 -0.25 -0.91 -2.27 0.00 0.00 179.45 176.58 2nxh h ASN 4136N 0.87 0.00 0.18 4.20 -0.26 -1.81 -2.47 115.58 116.29 2nxh h ASN 4136Ca 0.25 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.87 2nxh h ASN 4136Cb -0.07 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 2nxh h ASN 4136CO -0.07 0.25 -0.46 0.58 -1.06 0.00 0.00 177.43 176.67 2nxh h VAL 4137N 0.00 1.32 -0.13 2.81 2.07 -1.43 -2.15 116.25 118.74 2nxh h VAL 4137Ca -0.00 -1.64 -0.17 0.00 0.82 0.00 0.00 66.70 65.70 2nxh h VAL 4137Cb 0.66 1.72 0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2nxh h VAL 4137CO 0.03 0.50 -0.60 0.58 0.02 0.00 0.00 177.57 178.10 2nxh h VAL 4138N 0.27 1.33 -0.29 2.57 2.07 -1.07 -3.01 116.25 118.13 2nxh h VAL 4138Ca 0.02 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 65.71 2nxh h VAL 4138Cb 0.91 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.75 2nxh h VAL 4138CO 0.08 0.57 0.07 -0.08 0.02 0.00 0.00 177.57 178.23 2nxh h GLU 4139N 0.28 0.18 0.01 1.57 4.81 -1.32 -0.08 114.58 120.02 2nxh h GLU 4139Ca -0.04 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2nxh h GLU 4139Cb 1.24 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 2nxh h GLU 4139CO 0.12 0.12 -0.36 0.87 -0.73 0.00 0.00 179.01 179.03 2nxh h LYS 4140N 0.18 -0.50 -0.30 1.92 1.57 -1.42 0.64 116.57 118.67 2nxh h LYS 4140Ca 0.13 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 2nxh h LYS 4140Cb 0.13 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 2nxh h LYS 4140CO -0.17 -0.33 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.17 2nxh h LEU 4141N -0.52 -0.49 -1.46 2.94 3.38 -1.32 -0.33 115.31 117.51 2nxh h LEU 4141Ca 0.06 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.21 2nxh h LEU 4141Cb 0.60 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2nxh h LEU 4141CO -0.28 -0.18 0.44 0.11 0.09 0.00 0.00 178.44 178.62 2nxh h LYS 4142N -0.10 0.63 0.00 1.13 1.57 -0.53 0.38 116.57 119.64 2nxh h LYS 4142Ca 0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2nxh h LYS 4142Cb 0.34 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2nxh h LYS 4142CO -0.36 0.42 0.00 0.35 -0.57 0.00 0.00 179.45 179.28 2nxh h PHE 4143N 0.65 0.00 -0.49 -1.35 3.57 0.83 -1.52 116.94 118.63 2nxh h PHE 4143Ca 0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2nxh h PHE 4143Cb 0.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2nxh h PHE 4143CO -0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 2nxh n GLY 4144N -0.27 1.78 1.23 2.40 0.00 0.13 -4.93 105.19 105.53 2nxh n GLY 4144Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2nxh n GLY 4144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxh n GLY 4145N 1.50 0.72 3.77 -0.02 0.00 -0.57 -3.87 105.19 106.71 2nxh n GLY 4145Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2nxh n GLY 4145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxh s ALA 4146N -2.11 3.31 -0.05 4.61 0.00 -0.90 -4.93 121.76 121.70 2nxh s ALA 4146Ca 0.00 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 52.91 2nxh s ALA 4146Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2nxh s ALA 4146CO 0.00 -0.42 -0.11 1.63 0.00 0.00 0.00 175.76 176.87 2nxh n LYS 4147N 0.59 0.17 -2.99 0.00 5.02 -1.26 -4.44 118.16 115.25 2nxh n LYS 4147Ca 0.02 0.07 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 2nxh n LYS 4147Cb 0.45 -0.79 -0.05 0.00 -0.02 0.00 0.00 35.03 34.62 2nxh n LYS 4147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2nxh s GLU 4148N -2.20 3.16 -0.11 1.97 2.12 -1.26 -5.03 118.70 117.34 2nxh s GLU 4148Ca -0.11 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.44 2nxh s GLU 4148Cb 0.03 -4.15 -0.02 0.00 0.26 0.00 0.00 34.13 30.26 2nxh s GLU 4148CO 0.14 -1.50 -0.14 0.42 -0.54 0.00 0.00 175.26 173.64 2nxh s ILE 4149N 3.35 2.99 0.09 -3.70 1.01 -1.26 -1.96 121.20 121.72 2nxh s ILE 4149Ca 0.20 -0.70 0.10 0.00 0.00 0.00 0.00 60.65 60.25 2nxh s ILE 4149Cb -0.18 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2nxh s ILE 4149CO 0.12 0.54 -0.26 -0.31 0.00 0.00 0.00 174.94 175.03 2nxh s TYR 4150N 0.16 2.21 -0.09 3.97 1.51 0.43 -2.65 117.35 122.89 2nxh s TYR 4150Ca -0.08 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 2nxh s TYR 4150Cb -0.15 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 2nxh s TYR 4150CO 0.05 0.23 -0.19 -0.51 -1.11 0.00 0.00 175.55 174.02 2nxh s LEU 4151N -1.67 1.90 -0.20 -1.29 1.43 -0.10 -0.80 118.68 117.95 2nxh s LEU 4151Ca 0.12 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2nxh s LEU 4151Cb -0.10 -1.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 2nxh s LEU 4151CO 0.04 0.09 -0.09 -0.89 0.23 0.00 0.00 176.35 175.73 2nxh s THR 4152N 0.57 3.02 -0.18 5.49 2.01 -0.01 -0.50 115.64 126.04 2nxh s THR 4152Ca -0.15 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 2nxh s THR 4152Cb -0.17 -2.34 -0.00 0.00 0.01 0.00 0.00 72.50 70.00 2nxh s THR 4152CO 0.05 0.46 1.13 -0.70 -0.69 0.00 0.00 174.62 174.87 2nxh s GLU 4153N 1.28 4.28 -0.03 4.92 2.56 0.26 -1.20 118.70 130.76 2nxh s GLU 4153Ca 0.03 1.50 0.11 0.00 0.00 0.00 0.00 54.97 56.61 2nxh s GLU 4153Cb -0.14 -3.66 0.20 0.00 2.00 0.00 0.00 34.13 32.53 2nxh s GLU 4153CO -0.04 -0.60 1.09 2.89 -0.56 0.00 0.00 175.26 178.03 2nxh n ARG 4154N 6.17 0.24 0.00 4.30 -4.01 -1.26 -0.72 116.66 121.37 2nxh n ARG 4154Ca 0.12 -1.65 0.00 0.00 -1.04 0.00 0.00 57.85 55.28 2nxh n ARG 4154Cb 0.46 -0.51 0.00 0.00 -3.04 0.00 0.00 32.46 29.37 2nxh n ARG 4154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2nxh n GLY 4155N -0.05 1.74 3.03 2.89 0.00 -1.26 -3.79 105.19 107.75 2nxh n GLY 4155Ca 0.05 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 2nxh n GLY 4155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxh s THR 4156N -2.59 0.58 -0.11 2.61 2.01 -0.37 -4.37 115.64 113.41 2nxh s THR 4156Ca 0.00 -0.67 -0.34 0.00 0.31 0.00 0.00 61.69 60.99 2nxh s THR 4156Cb 0.00 -0.56 -0.12 0.00 0.01 0.00 0.00 72.50 71.83 2nxh s THR 4156CO 0.00 -0.08 1.89 0.41 -0.69 0.00 0.00 174.62 176.15 2nxh n THR 4157N 2.24 0.56 -3.78 -0.82 -1.04 -0.54 -1.46 114.28 109.44 2nxh n THR 4157Ca -0.17 -0.11 -0.29 0.00 -2.04 0.00 0.00 64.05 61.43 2nxh n THR 4157Cb 0.56 -1.86 -0.13 0.00 -1.82 0.00 0.00 70.33 67.09 2nxh n THR 4157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2nxh s PHE 4158N 4.23 2.57 0.00 -1.42 5.36 -0.61 -4.87 117.98 123.24 2nxh s PHE 4158Ca 0.94 -2.82 0.00 0.00 -0.96 0.00 0.00 56.93 54.09 2nxh s PHE 4158Cb -0.71 -2.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.76 2nxh s PHE 4158CO 0.52 -0.72 0.00 0.41 -1.46 0.00 0.00 175.22 173.97 2nxh n GLY 4159N 2.98 -0.82 3.84 13.12 0.00 -1.26 -4.36 105.19 118.70 2nxh n GLY 4159Ca 0.13 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 2nxh n GLY 4159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nxh s TYR 4160N 0.00 3.67 -1.48 1.61 2.02 -1.26 -4.44 117.35 117.48 2nxh s TYR 4160Ca 0.00 0.83 -0.11 0.00 -0.37 0.00 0.00 57.07 57.41 2nxh s TYR 4160Cb 0.00 -2.18 0.06 0.00 -0.40 0.00 0.00 41.96 39.44 2nxh s TYR 4160CO 0.00 0.65 0.97 0.09 -1.57 0.00 0.00 175.55 175.69 2nxh n ASN 4161N 1.97 -4.46 -3.54 2.29 3.02 -1.26 -4.97 115.26 108.31 2nxh n ASN 4161Ca -0.16 -0.75 -0.18 0.00 -0.03 0.00 0.00 54.58 53.46 2nxh n ASN 4161Cb 0.53 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 35.57 2nxh n ASN 4161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2nxh s ASN 4162N -3.48 -0.65 0.05 6.41 3.04 -1.26 -4.21 114.94 114.85 2nxh s ASN 4162Ca 0.55 0.75 0.04 0.00 0.04 0.00 0.00 52.86 54.25 2nxh s ASN 4162Cb -0.27 0.60 -0.02 0.00 -1.54 0.00 0.00 41.25 40.01 2nxh s ASN 4162CO 0.81 -0.58 -0.12 -0.76 -3.04 0.00 0.00 177.10 173.41 2nxh s LEU 4163N -1.08 2.22 0.09 3.21 1.43 -1.26 -1.57 118.68 121.73 2nxh s LEU 4163Ca -0.10 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 2nxh s LEU 4163Cb -0.01 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 2nxh s LEU 4163CO 0.09 -0.05 -0.20 0.54 0.23 0.00 0.00 176.35 176.96 2nxh s VAL 4164N -1.08 1.59 -0.35 -1.59 0.11 -0.54 -4.85 120.40 113.70 2nxh s VAL 4164Ca -0.02 -1.45 -0.10 0.00 -2.93 0.00 0.00 61.98 57.48 2nxh s VAL 4164Cb -0.09 -1.45 0.01 0.00 -1.53 0.00 0.00 36.38 33.33 2nxh s VAL 4164CO 0.01 -0.06 0.18 -0.69 -3.33 0.00 0.00 175.10 171.22 2nxh s VAL 4165N -1.13 4.57 -0.85 2.04 1.01 -1.26 -1.23 120.40 123.55 2nxh s VAL 4165Ca 0.05 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 2nxh s VAL 4165Cb -0.10 -3.45 0.13 0.00 0.00 0.00 0.00 36.38 32.96 2nxh s VAL 4165CO 0.04 -0.10 1.02 -0.62 0.00 0.00 0.00 175.10 175.44 2nxh s ASP 4166N 1.58 6.53 0.00 3.32 2.15 -1.26 -4.89 116.67 124.09 2nxh s ASP 4166Ca 0.03 -1.89 0.00 0.00 0.43 0.00 0.00 52.55 51.12 2nxh s ASP 4166Cb -0.18 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2nxh s ASP 4166CO 0.06 -1.08 0.84 0.49 -0.17 0.00 0.00 175.17 175.32 2nxh n PHE 4167N 6.44 0.00 0.27 -5.34 3.01 -1.26 -0.98 117.46 119.61 2nxh n PHE 4167Ca 0.15 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.77 2nxh n PHE 4167Cb 0.48 -0.35 0.70 0.00 -0.01 0.00 0.00 39.48 40.30 2nxh n PHE 4167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nxh h ARG 4168N 0.00 0.00 0.00 -1.08 3.08 -2.03 -2.81 114.38 111.53 2nxh h ARG 4168Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2nxh h ARG 4168Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2nxh h ARG 4168CO 0.00 0.07 -0.22 0.66 -1.07 0.00 0.00 179.97 179.41 2nxh h SER 4169N 0.00 0.00 0.82 7.04 4.64 -1.48 -2.96 113.55 121.60 2nxh h SER 4169Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2nxh h SER 4169Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2nxh h SER 4169CO 0.01 0.22 -0.39 -0.07 -0.87 0.00 0.00 176.83 175.72 2nxh h LEU 4170N 0.00 -0.93 -1.45 5.97 4.07 -1.71 -0.07 115.31 121.19 2nxh h LEU 4170Ca -0.00 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.93 2nxh h LEU 4170Cb 0.44 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 2nxh h LEU 4170CO 0.03 -0.66 -0.28 1.55 -1.08 0.00 0.00 178.44 178.00 2nxh h PRO 4171N -1.11 0.00 0.11 1.13 0.13 -1.75 -2.13 132.00 128.38 2nxh h PRO 4171Ca -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 2nxh h PRO 4171Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2nxh h PRO 4171CO 0.18 0.28 -0.05 0.82 -0.23 0.00 0.00 178.00 179.00 2nxh h ILE 4172N 0.00 1.03 0.00 -3.56 2.04 -1.34 -3.14 117.51 112.54 2nxh h ILE 4172Ca -0.00 -0.54 -0.10 0.00 1.00 0.00 0.00 64.86 65.22 2nxh h ILE 4172Cb 0.50 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2nxh h ILE 4172CO 0.04 0.13 -0.46 0.24 0.00 0.00 0.00 178.15 178.09 2nxh h MET 4173N -0.39 0.00 0.00 2.37 2.86 -0.96 -2.93 114.93 115.88 2nxh h MET 4173Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2nxh h MET 4173Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2nxh h MET 4173CO 0.02 0.46 0.11 -0.22 1.06 0.00 0.00 176.91 178.35 2nxh h LYS 4174N 0.00 0.00 -0.03 1.72 1.63 -1.33 -2.15 116.57 116.40 2nxh h LYS 4174Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 2nxh h LYS 4174Cb 0.83 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 2nxh h LYS 4174CO 0.06 0.00 -0.16 1.96 -3.45 0.00 0.00 179.45 177.86 2nxh h GLN 4175N 0.00 0.05 0.00 1.90 4.20 -1.59 -3.31 115.11 116.36 2nxh h GLN 4175Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2nxh h GLN 4175Cb 0.23 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2nxh h GLN 4175CO 0.00 0.20 -0.03 -2.67 -0.67 0.00 0.00 178.83 175.66 2nxh n TRP 4176N -4.33 0.00 -3.61 2.96 2.14 -0.82 -5.10 117.44 108.67 2nxh n TRP 4176Ca -0.02 -0.26 -0.02 0.00 2.07 0.00 0.00 57.50 59.27 2nxh n TRP 4176Cb 0.24 -0.03 -0.01 0.00 -0.81 0.00 0.00 31.31 30.69 2nxh n TRP 4176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2nxh s ALA 4177N -0.56 -2.06 0.38 -1.67 0.00 -1.14 -4.97 121.76 111.74 2nxh s ALA 4177Ca 0.02 1.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 2nxh s ALA 4177Cb 0.02 0.22 -0.09 0.00 0.00 0.00 0.00 23.12 23.26 2nxh s ALA 4177CO 0.00 -0.84 1.07 0.15 0.00 0.00 0.00 175.76 176.14 2nxh s LYS 4178N -2.60 4.25 -0.10 0.00 1.02 -1.08 -4.09 119.74 117.13 2nxh s LYS 4178Ca 0.11 1.59 0.01 0.00 0.02 0.00 0.00 55.97 57.70 2nxh s LYS 4178Cb 0.01 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2nxh s LYS 4178CO -0.04 -0.09 -0.13 0.08 -0.92 0.00 0.00 175.35 174.26 2nxh s VAL 4179N -1.54 3.12 -0.02 3.17 1.01 -1.26 -0.92 120.40 123.96 2nxh s VAL 4179Ca 0.55 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2nxh s VAL 4179Cb -0.25 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2nxh s VAL 4179CO 0.31 0.55 -0.24 -0.63 0.00 0.00 0.00 175.10 175.09 2nxh s ILE 4180N -0.10 2.23 -0.24 2.22 -1.09 0.34 0.46 121.20 125.02 2nxh s ILE 4180Ca -0.01 -1.06 -0.07 0.00 -2.23 0.00 0.00 60.65 57.27 2nxh s ILE 4180Cb -0.14 -1.79 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 2nxh s ILE 4180CO 0.04 0.57 0.07 -0.47 -1.23 0.00 0.00 174.94 173.91 2nxh s TYR 4181N -0.64 3.10 -0.65 3.97 5.04 -0.45 -0.58 117.35 127.13 2nxh s TYR 4181Ca 0.10 -0.37 -0.24 0.00 -2.44 0.00 0.00 57.07 54.12 2nxh s TYR 4181Cb -0.10 -2.22 0.06 0.00 0.35 0.00 0.00 41.96 40.05 2nxh s TYR 4181CO -0.01 -0.30 1.01 0.34 -1.34 0.00 0.00 175.55 175.25 2nxh s ASP 4182N 1.47 6.21 0.39 4.32 -1.08 0.11 -0.05 116.67 128.04 2nxh s ASP 4182Ca 0.06 -0.76 0.28 0.00 -0.52 0.00 0.00 52.55 51.61 2nxh s ASP 4182Cb -0.15 -2.45 0.99 0.00 -1.46 0.00 0.00 42.92 39.86 2nxh s ASP 4182CO 0.03 -1.46 1.81 0.00 0.52 0.00 0.00 175.17 176.07 2nxh h ALA 4183N 9.59 1.00 0.01 3.66 0.00 -0.54 -3.19 119.26 129.79 2nxh h ALA 4183Ca -0.28 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.24 2nxh h ALA 4183Cb 1.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2nxh h ALA 4183CO 1.18 0.00 -2.22 0.25 0.00 0.00 0.00 179.25 178.46 2nxh n THR 4184N -2.70 1.55 0.24 0.00 -2.24 -1.25 -4.45 114.28 105.42 2nxh n THR 4184Ca 0.02 -0.38 0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2nxh n THR 4184Cb 0.34 -1.80 0.43 0.00 -2.10 0.00 0.00 70.33 67.20 2nxh n THR 4184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2nxh h HIS 4185N -0.68 0.00 0.00 4.78 3.86 -1.90 -3.15 115.15 118.06 2nxh h HIS 4185Ca -0.58 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.60 2nxh h HIS 4185Cb 1.66 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.12 2nxh h HIS 4185CO -0.01 0.08 -0.13 0.77 0.86 0.00 0.00 177.93 179.51 2nxh h SER 4186N 0.00 0.00 -0.16 2.45 0.02 -1.64 -2.63 113.55 111.59 2nxh h SER 4186Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2nxh h SER 4186Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2nxh h SER 4186CO 0.01 0.13 0.00 1.33 -1.14 0.00 0.00 176.83 177.16 2nxh n VAL 4187N -3.43 0.24 -2.60 2.27 0.24 -1.19 -4.72 118.33 109.13 2nxh n VAL 4187Ca -0.01 -0.62 -0.35 0.00 -2.04 0.00 0.00 64.34 61.32 2nxh n VAL 4187Cb 0.30 1.18 -0.04 0.00 -1.47 0.00 0.00 33.84 33.81 2nxh n VAL 4187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nxh s GLN 4188N -1.44 4.09 -0.43 7.34 -2.07 -0.99 -2.22 119.66 123.94 2nxh s GLN 4188Ca 0.26 1.39 -0.06 0.00 -1.82 0.00 0.00 55.36 55.13 2nxh s GLN 4188Cb 0.17 -2.36 0.11 0.00 -1.09 0.00 0.00 33.01 29.83 2nxh s GLN 4188CO 0.24 -0.19 0.26 -0.51 -1.32 0.00 0.00 175.29 173.78 2nxh s LEU 4189N -2.95 5.37 0.14 2.60 1.43 0.17 -4.35 118.68 121.09 2nxh s LEU 4189Ca 0.61 -1.88 -0.34 0.00 -1.03 0.00 0.00 54.13 51.49 2nxh s LEU 4189Cb -0.18 -1.92 -0.16 0.00 0.03 0.00 0.00 46.19 43.96 2nxh s LEU 4189CO 0.23 -0.59 1.21 -2.65 0.23 0.00 0.00 176.35 174.78 2nxh n PRO 4190N 4.77 1.12 -1.17 1.29 -0.02 -1.26 0.11 135.00 139.84 2nxh n PRO 4190Ca -0.06 0.40 -0.09 0.00 -2.02 0.00 0.00 63.50 61.73 2nxh n PRO 4190Cb 0.41 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 2nxh n PRO 4190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nxh n GLY 4191N 2.17 0.88 0.31 -1.23 0.00 -1.26 -4.21 105.19 101.86 2nxh n GLY 4191Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2nxh n GLY 4191CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2nxh h GLY 4192N 0.00 0.00 -2.84 -0.02 0.00 -1.06 -2.21 103.07 96.95 2nxh h GLY 4192Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.78 2nxh h GLY 4192CO 0.28 0.00 -0.13 1.04 0.00 0.00 0.00 176.54 177.73 2nxh n LEU 4193N -4.07 4.94 0.00 3.11 7.99 0.17 -4.79 117.00 124.34 2nxh n LEU 4193Ca -0.00 -4.13 0.00 0.00 -0.01 0.00 0.00 56.01 51.86 2nxh n LEU 4193Cb 0.21 -0.61 0.00 0.00 -0.11 0.00 0.00 43.42 42.90 2nxh n LEU 4193CO 0.30 1.53 0.00 0.61 -1.51 0.00 0.00 177.39 178.32 2nxh n GLY 4194N -0.98 1.03 0.05 -0.72 0.00 -0.83 -2.75 105.19 100.98 2nxh n GLY 4194Ca 0.41 0.43 0.15 0.00 0.00 0.00 0.00 46.02 47.01 2nxh n GLY 4194CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nxh n ASP 4195N 3.87 0.20 -3.94 1.61 5.75 -1.26 -4.82 116.55 117.95 2nxh n ASP 4195Ca 0.00 -0.51 -0.09 0.00 -0.01 0.00 0.00 54.79 54.18 2nxh n ASP 4195Cb 0.00 -0.15 -0.08 0.00 -1.03 0.00 0.00 41.12 39.86 2nxh n ASP 4195CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2nxh s LYS 4196N -2.40 0.86 0.58 0.11 1.02 -1.11 -3.56 119.74 115.24 2nxh s LYS 4196Ca 0.33 -1.09 -0.04 0.00 0.02 0.00 0.00 55.97 55.20 2nxh s LYS 4196Cb 0.21 0.31 0.02 0.00 -0.52 0.00 0.00 37.83 37.85 2nxh s LYS 4196CO 0.44 -0.26 0.86 -1.12 -0.92 0.00 0.00 175.35 174.35 2nxh s SER 4197N -2.91 5.45 0.00 2.83 0.01 -1.26 0.44 113.70 118.27 2nxh s SER 4197Ca 0.09 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2nxh s SER 4197Cb 0.05 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.82 2nxh s SER 4197CO -0.08 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.07 2nxh n GLY 4198N -2.53 4.91 0.00 3.44 0.00 0.30 -4.39 105.19 106.92 2nxh n GLY 4198Ca 0.05 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2nxh n GLY 4198CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxh n GLY 4199N 5.00 2.66 2.94 -0.02 0.00 -1.26 -0.66 105.19 113.85 2nxh n GLY 4199Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 2nxh n GLY 4199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nxh s MET 4200N -2.00 1.81 0.59 1.61 -1.94 -0.94 -4.85 119.30 113.58 2nxh s MET 4200Ca 0.00 -2.41 0.29 0.00 -1.71 0.00 0.00 55.69 51.85 2nxh s MET 4200Cb 0.00 -3.19 1.57 0.00 2.01 0.00 0.00 34.83 35.22 2nxh s MET 4200CO 0.00 -1.08 2.01 -0.09 -0.01 0.00 0.00 175.02 175.85 2nxh h ARG 4201N 6.74 0.00 -0.02 2.03 2.43 -1.88 -1.87 114.38 121.81 2nxh h ARG 4201Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2nxh h ARG 4201Cb 0.92 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2nxh h ARG 4201CO 0.64 0.00 0.06 1.05 -1.51 0.00 0.00 179.97 180.21 2nxh h GLU 4202N 0.00 0.00 -0.02 0.20 4.11 -1.96 -1.76 114.58 115.15 2nxh h GLU 4202Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2nxh h GLU 4202Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2nxh h GLU 4202CO -0.00 0.00 -0.21 1.19 0.07 0.00 0.00 179.01 180.06 2nxh n PHE 4203N -3.27 0.00 0.48 2.06 3.72 -0.70 -4.56 117.46 115.19 2nxh n PHE 4203Ca -0.02 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.18 2nxh n PHE 4203Cb 0.13 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.58 2nxh n PHE 4203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2nxh h ILE 4204N 3.46 0.11 -0.20 4.37 2.04 -1.45 -1.99 117.51 123.86 2nxh h ILE 4204Ca 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2nxh h ILE 4204Cb 0.84 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2nxh h ILE 4204CO 0.00 0.00 0.09 0.15 0.00 0.00 0.00 178.15 178.39 2nxh h PHE 4205N -1.21 0.29 -0.60 1.37 -0.00 -1.81 -1.75 116.94 113.21 2nxh h PHE 4205Ca -0.12 -0.01 0.07 0.00 -0.00 0.00 0.00 57.97 57.90 2nxh h PHE 4205Cb 0.92 -0.09 -0.06 0.00 -0.00 0.00 0.00 35.95 36.73 2nxh h PHE 4205CO -0.01 0.30 0.29 -1.35 -0.00 0.00 0.00 178.31 177.55 2nxh h PRO 4206N 0.19 0.52 0.00 6.41 0.11 -1.80 -1.51 132.00 135.92 2nxh h PRO 4206Ca 0.07 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 2nxh h PRO 4206Cb 0.13 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2nxh h PRO 4206CO -0.01 0.34 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.74 2nxh h LEU 4207N 0.54 0.00 -0.51 2.35 3.38 -1.24 -2.54 115.31 117.29 2nxh h LEU 4207Ca 0.28 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.09 2nxh h LEU 4207Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2nxh h LEU 4207CO -0.22 0.32 -0.62 -0.29 0.09 0.00 0.00 178.44 177.72 2nxh h ILE 4208N 0.00 1.35 -0.85 1.22 2.10 -0.64 -1.92 117.51 118.77 2nxh h ILE 4208Ca -0.00 -1.94 -0.03 0.00 1.08 0.00 0.00 64.86 63.98 2nxh h ILE 4208Cb 0.85 1.92 -0.04 0.00 -1.09 0.00 0.00 36.82 38.47 2nxh h ILE 4208CO 0.04 0.59 0.43 0.03 -1.08 0.00 0.00 178.15 178.16 2nxh h ARG 4209N 0.33 1.21 -0.12 2.19 3.08 -0.90 -2.59 114.38 117.57 2nxh h ARG 4209Ca -0.01 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 2nxh h ARG 4209Cb 1.16 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 2nxh h ARG 4209CO 0.11 0.91 0.07 0.00 -1.07 0.00 0.00 179.97 179.99 2nxh h ALA 4210N 1.27 0.15 -0.55 0.04 0.00 -1.18 -2.20 119.26 116.79 2nxh h ALA 4210Ca 0.29 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2nxh h ALA 4210Cb 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2nxh h ALA 4210CO -0.04 -0.31 0.21 0.00 0.00 0.00 0.00 179.25 179.11 2nxh h ALA 4211N 0.97 0.69 0.00 0.00 0.00 -1.04 0.10 119.26 119.99 2nxh h ALA 4211Ca 0.04 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2nxh h ALA 4211Cb 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2nxh h ALA 4211CO -0.01 -0.18 -0.39 -0.39 0.00 0.00 0.00 179.25 178.29 2nxh h VAL 4212N 0.41 0.85 -0.23 0.00 -1.51 -1.42 0.69 116.25 115.03 2nxh h VAL 4212Ca 0.27 -1.61 -0.19 0.00 -1.23 0.00 0.00 66.70 63.93 2nxh h VAL 4212Cb 0.29 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2nxh h VAL 4212CO -0.26 0.38 -0.61 0.00 -1.23 0.00 0.00 177.57 175.85 2nxh h ALA 4213N 1.61 0.48 -0.23 5.19 0.00 -0.67 -3.09 119.26 122.56 2nxh h ALA 4213Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 2nxh h ALA 4213Cb 0.97 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2nxh h ALA 4213CO 0.05 0.69 -0.23 0.28 0.00 0.00 0.00 179.25 180.04 2nxh h VAL 4214N 0.58 1.32 0.00 0.00 2.07 -0.82 -3.47 116.25 115.94 2nxh h VAL 4214Ca -0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2nxh h VAL 4214Cb 1.21 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2nxh h VAL 4214CO 0.13 0.43 0.00 0.61 0.02 0.00 0.00 177.57 178.76 2nxh n GLY 4215N 0.17 2.28 3.31 2.17 0.00 0.22 -4.86 105.19 108.49 2nxh n GLY 4215Ca -0.05 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 2nxh n GLY 4215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxh n ASP 4217N -0.22 0.43 0.00 0.00 8.00 0.17 -4.98 116.55 119.95 2nxh n ASP 4217Ca -0.05 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2nxh n ASP 4217Cb 0.63 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 2nxh n ASP 4217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nxh n GLY 4218N 1.49 0.41 3.19 0.44 0.00 -1.15 -1.71 105.19 107.86 2nxh n GLY 4218Ca 0.06 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 2nxh n GLY 4218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nxh s VAL 4219N -2.00 1.68 -0.24 1.61 1.01 0.11 -1.34 120.40 121.22 2nxh s VAL 4219Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 2nxh s VAL 4219Cb 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2nxh s VAL 4219CO 0.00 0.48 0.06 0.12 0.00 0.00 0.00 175.10 175.75 2nxh s PHE 4220N -0.07 3.07 -0.12 5.22 2.19 0.93 -1.04 117.98 128.16 2nxh s PHE 4220Ca -0.03 -0.47 -0.05 0.00 0.33 0.00 0.00 56.93 56.71 2nxh s PHE 4220Cb -0.12 -2.22 0.06 0.00 -1.31 0.00 0.00 43.02 39.43 2nxh s PHE 4220CO 0.03 -0.37 0.25 0.00 1.83 0.00 0.00 175.22 176.96 2nxh s MET 4221N 1.58 0.15 0.25 10.12 0.23 0.23 0.20 119.30 132.05 2nxh s MET 4221Ca 0.06 0.71 -0.29 0.00 -1.03 0.00 0.00 55.69 55.14 2nxh s MET 4221Cb -0.15 -0.06 -0.09 0.00 -1.53 0.00 0.00 34.83 33.00 2nxh s MET 4221CO 0.03 -0.27 0.93 -1.21 -2.03 0.00 0.00 175.02 172.47 2nxh s GLU 4222N 2.25 4.80 0.21 3.16 2.02 -1.26 -3.35 118.70 126.53 2nxh s GLU 4222Ca -0.00 1.44 0.03 0.00 0.02 0.00 0.00 54.97 56.46 2nxh s GLU 4222Cb -0.12 -3.20 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 2nxh s GLU 4222CO -0.08 0.49 -0.01 -0.08 0.02 0.00 0.00 175.26 175.59 2nxh s THR 4223N -1.25 0.97 -0.28 3.63 -1.32 0.87 -1.94 115.64 116.33 2nxh s THR 4223Ca 0.42 -2.03 -0.24 0.00 -1.21 0.00 0.00 61.69 58.64 2nxh s THR 4223Cb -0.25 -2.24 0.10 0.00 -1.51 0.00 0.00 72.50 68.60 2nxh s THR 4223CO 0.30 -0.40 0.89 -2.28 -2.21 0.00 0.00 174.62 170.92 2nxh s HIS 4224N -3.46 -0.64 0.36 9.09 5.04 -0.57 -3.21 115.29 121.89 2nxh s HIS 4224Ca 0.26 1.52 0.10 0.00 -1.54 0.00 0.00 55.06 55.40 2nxh s HIS 4224Cb 0.05 0.35 0.85 0.00 0.04 0.00 0.00 32.58 33.88 2nxh s HIS 4224CO 0.07 -0.31 1.85 -1.35 -2.34 0.00 0.00 174.74 172.65 2nxh h PRO 4225N 4.85 0.63 -2.39 2.88 0.11 -1.94 -2.31 132.00 133.84 2nxh h PRO 4225Ca -0.29 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.22 2nxh h PRO 4225Cb 1.18 -0.14 -0.37 0.00 0.11 0.00 0.00 31.00 31.77 2nxh h PRO 4225CO 0.10 0.42 -0.90 -1.21 -0.21 0.00 0.00 178.00 176.20 2nxh s GLU 4226N -5.66 0.74 0.44 1.05 2.02 -1.26 -4.49 118.70 111.54 2nxh s GLU 4226Ca -0.10 -1.69 0.27 0.00 0.02 0.00 0.00 54.97 53.47 2nxh s GLU 4226Cb 0.23 -1.28 1.31 0.00 0.10 0.00 0.00 34.13 34.49 2nxh s GLU 4226CO 0.79 -1.30 1.71 -1.35 0.02 0.00 0.00 175.26 175.13 2nxh h PRO 4227N 6.26 0.20 -0.10 0.39 0.11 -1.83 0.41 132.00 137.43 2nxh h PRO 4227Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2nxh h PRO 4227Cb 0.95 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2nxh h PRO 4227CO 0.31 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.38 2nxh n GLU 4228N -4.56 0.46 0.00 1.05 0.28 -1.26 -2.30 120.64 114.31 2nxh n GLU 4228Ca 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 2nxh n GLU 4228Cb 1.18 -1.05 0.00 0.00 1.43 0.00 0.00 31.44 33.00 2nxh n GLU 4228CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2nxh n LYS 4229N -0.33 0.03 -1.74 3.44 5.02 0.13 -5.09 118.16 119.63 2nxh n LYS 4229Ca 0.00 -0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 2nxh n LYS 4229Cb 0.03 -0.54 0.01 0.00 -0.02 0.00 0.00 35.03 34.51 2nxh n LYS 4229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nxh n ALA 4230N -0.03 1.79 1.55 7.82 0.00 -0.97 -4.88 120.51 125.79 2nxh n ALA 4230Ca 0.00 0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.86 2nxh n ALA 4230Cb 0.17 -2.35 0.72 0.00 0.00 0.00 0.00 19.45 17.99 2nxh n ALA 4230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2nxh n LEU 4231N 0.10 0.30 -3.68 0.00 4.77 -1.26 -4.51 117.00 112.71 2nxh n LEU 4231Ca 0.05 0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 2nxh n LEU 4231Cb 0.40 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2nxh n LEU 4231CO 0.60 0.05 0.25 -0.55 -1.33 0.00 0.00 177.39 176.42 2nxh s SER 4232N -2.37 -0.59 -1.52 -1.43 0.15 -1.26 -4.51 113.70 102.17 2nxh s SER 4232Ca 0.34 1.12 -0.07 0.00 0.70 0.00 0.00 55.95 58.03 2nxh s SER 4232Cb 0.21 1.13 0.06 0.00 -1.71 0.00 0.00 66.02 65.71 2nxh s SER 4232CO 0.44 -0.21 0.59 0.47 1.20 0.00 0.00 173.24 175.73 2nxh n ASP 4233N 2.71 -1.71 -0.23 5.45 8.00 -1.26 -4.85 116.55 124.66 2nxh n ASP 4233Ca -0.14 -0.99 -0.04 0.00 0.71 0.00 0.00 54.79 54.34 2nxh n ASP 4233Cb 0.56 -3.04 0.07 0.00 -0.02 0.00 0.00 41.12 38.69 2nxh n ASP 4233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nxh h ALA 4234N 0.88 0.86 -0.02 2.24 0.00 -1.82 -2.89 119.26 118.51 2nxh h ALA 4234Ca -0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2nxh h ALA 4234Cb 1.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2nxh h ALA 4234CO 0.68 0.17 0.02 -0.35 0.00 0.00 0.00 179.25 179.77 2nxh n PRO 4235N -4.70 1.04 0.00 0.00 -0.04 -1.26 -3.34 135.00 126.70 2nxh n PRO 4235Ca 0.07 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2nxh n PRO 4235Cb 0.09 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2nxh n PRO 4235CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nxh n THR 4236N 1.44 0.00 -2.81 0.52 -2.24 -1.09 -4.12 114.28 105.97 2nxh n THR 4236Ca 0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 2nxh n THR 4236Cb 0.50 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 2nxh n THR 4236CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nxh s ALA 4237N 0.00 3.21 0.29 6.98 0.00 -1.21 -4.78 121.76 126.25 2nxh s ALA 4237Ca 0.00 0.42 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 2nxh s ALA 4237Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 2nxh s ALA 4237CO 0.00 -0.20 0.92 -0.51 0.00 0.00 0.00 175.76 175.97 2nxh s LEU 4238N 0.97 4.42 0.18 0.00 1.43 -0.82 -4.68 118.68 120.18 2nxh s LEU 4238Ca 0.48 1.81 -0.31 0.00 -1.03 0.00 0.00 54.13 55.08 2nxh s LEU 4238Cb -0.20 -3.86 -0.10 0.00 0.03 0.00 0.00 46.19 42.06 2nxh s LEU 4238CO 0.25 0.00 1.54 -2.84 0.23 0.00 0.00 176.35 175.54 2nxh s PRO 4239N -1.82 4.22 0.46 1.29 0.02 -1.26 -1.52 135.00 136.39 2nxh s PRO 4239Ca 0.47 2.35 0.28 0.00 0.02 0.00 0.00 61.00 64.12 2nxh s PRO 4239Cb -0.20 -3.15 1.34 0.00 0.02 0.00 0.00 34.50 32.51 2nxh s PRO 4239CO 0.25 -0.57 1.75 -0.07 -0.33 0.00 0.00 177.00 178.03 2nxh h LEU 4240N 6.48 0.24 -0.42 -5.54 3.38 -1.64 0.17 115.31 117.98 2nxh h LEU 4240Ca -0.43 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2nxh h LEU 4240Cb 1.21 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2nxh h LEU 4240CO 0.89 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.88 2nxh n SER 4241N -4.46 0.38 0.01 -0.43 3.41 -1.26 -2.77 113.62 108.51 2nxh n SER 4241Ca 0.28 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.60 2nxh n SER 4241Cb 1.15 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 2nxh n SER 4241CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nxh n GLN 4242N -1.93 0.23 -0.14 4.33 6.02 0.60 -4.49 117.38 122.01 2nxh n GLN 4242Ca 0.03 -0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 56.94 2nxh n GLN 4242Cb 0.20 -1.54 0.03 0.00 1.02 0.00 0.00 30.24 29.94 2nxh n GLN 4242CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2nxh h LEU 4243N 0.00 -0.37 0.16 1.08 4.07 -1.57 -2.51 115.31 116.16 2nxh h LEU 4243Ca 0.00 0.13 0.02 0.00 0.08 0.00 0.00 57.88 58.10 2nxh h LEU 4243Cb 0.68 0.26 -0.04 0.00 1.08 0.00 0.00 40.66 42.64 2nxh h LEU 4243CO 0.00 -0.13 -0.32 -0.08 -1.08 0.00 0.00 178.44 176.82 2nxh h GLU 4244N 0.02 -0.55 -0.88 1.13 4.81 -1.79 -1.11 114.58 116.20 2nxh h GLU 4244Ca 0.22 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.57 2nxh h GLU 4244Cb 0.33 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 2nxh h GLU 4244CO -0.44 -0.37 0.57 0.78 -0.73 0.00 0.00 179.01 178.82 2nxh h GLY 4245N -0.58 1.27 0.64 1.92 0.00 -1.79 -1.45 103.07 103.08 2nxh h GLY 4245Ca 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2nxh h GLY 4245CO -0.16 0.22 -0.07 -2.22 0.00 0.00 0.00 176.54 174.30 2nxh h ILE 4246N 0.90 1.36 -0.72 2.60 2.04 -1.12 -2.08 117.51 120.48 2nxh h ILE 4246Ca 0.40 -1.21 0.05 0.00 1.00 0.00 0.00 64.86 65.10 2nxh h ILE 4246Cb 0.37 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 2nxh h ILE 4246CO -0.17 0.34 0.47 0.40 0.00 0.00 0.00 178.15 179.19 2nxh h ILE 4247N -0.23 1.06 -0.15 -0.67 2.04 -0.88 0.11 117.51 118.79 2nxh h ILE 4247Ca 0.01 -0.28 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 2nxh h ILE 4247Cb 0.58 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2nxh h ILE 4247CO 0.02 0.15 -0.47 -0.08 0.00 0.00 0.00 178.15 177.77 2nxh h GLU 4248N 0.80 0.39 -0.18 2.37 4.57 -1.21 -1.95 114.58 119.38 2nxh h GLU 4248Ca 0.30 -0.21 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 2nxh h GLU 4248Cb 0.17 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2nxh h GLU 4248CO -0.09 0.78 -0.37 0.00 -1.18 0.00 0.00 179.01 178.15 2nxh h ALA 4249N 1.19 0.29 -0.53 2.92 0.00 -0.46 -2.14 119.26 120.52 2nxh h ALA 4249Ca 0.02 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2nxh h ALA 4249Cb 0.95 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2nxh h ALA 4249CO 0.08 0.36 0.14 -0.84 0.00 0.00 0.00 179.25 179.00 2nxh h ILE 4250N 0.23 1.22 -0.40 0.00 3.07 -0.73 -0.94 117.51 119.95 2nxh h ILE 4250Ca 0.00 -0.78 -0.13 0.00 1.55 0.00 0.00 64.86 65.50 2nxh h ILE 4250Cb 0.97 0.66 -0.01 0.00 -0.27 0.00 0.00 36.82 38.17 2nxh h ILE 4250CO 0.08 0.29 -0.28 -0.07 -1.05 0.00 0.00 178.15 177.13 2nxh h LEU 4251N 0.79 0.93 -0.33 0.16 3.38 -1.33 -0.14 115.31 118.76 2nxh h LEU 4251Ca 0.18 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2nxh h LEU 4251Cb 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2nxh h LEU 4251CO -0.00 1.16 0.18 -0.33 0.09 0.00 0.00 178.44 179.54 2nxh h GLU 4252N 0.70 0.46 -0.55 1.13 5.08 -0.97 -0.94 114.58 119.50 2nxh h GLU 4252Ca 0.08 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2nxh h GLU 4252Cb 0.85 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2nxh h GLU 4252CO 0.07 0.38 0.08 0.82 -1.00 0.00 0.00 179.01 179.37 2nxh h ILE 4253N 0.41 1.25 -0.56 3.13 2.04 -1.11 -2.96 117.51 119.73 2nxh h ILE 4253Ca 0.12 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 2nxh h ILE 4253Cb 0.05 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2nxh h ILE 4253CO -0.02 0.35 0.34 -0.09 0.00 0.00 0.00 178.15 178.74 2nxh h ARG 4254N 0.80 0.76 -0.93 2.37 2.43 -0.81 0.94 114.38 119.94 2nxh h ARG 4254Ca 0.17 -0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.41 2nxh h ARG 4254Cb 0.42 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.73 2nxh h ARG 4254CO 0.01 0.54 0.59 1.49 -1.51 0.00 0.00 179.97 181.09 2nxh h GLU 4255N 0.76 0.76 0.09 0.20 4.81 -1.01 0.54 114.58 120.73 2nxh h GLU 4255Ca 0.20 -0.05 -0.31 0.00 -0.13 0.00 0.00 59.36 59.08 2nxh h GLU 4255Cb -0.03 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2nxh h GLU 4255CO -0.04 0.50 -1.65 0.28 -0.73 0.00 0.00 179.01 177.37 2nxh h VAL 4256N 0.78 0.80 -0.04 0.32 2.07 -1.35 -3.40 116.25 115.43 2nxh h VAL 4256Ca 0.47 -2.31 -0.12 0.00 0.82 0.00 0.00 66.70 65.56 2nxh h VAL 4256Cb 0.66 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2nxh h VAL 4256CO -0.23 0.68 -0.55 0.00 0.02 0.00 0.00 177.57 177.49 2nxh h ALA 4257N -0.13 1.01 0.00 1.67 0.00 -0.70 -3.16 119.26 117.95 2nxh h ALA 4257Ca -0.38 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2nxh h ALA 4257Cb 1.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2nxh h ALA 4257CO -0.01 0.69 0.04 0.66 0.00 0.00 0.00 179.25 180.64 2nxh h SER 4258N 0.09 0.00 0.48 0.00 4.64 -1.09 0.12 113.55 117.79 2nxh h SER 4258Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nxh h SER 4258Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2nxh h SER 4258CO 0.08 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.21 2nxh n LYS 4259N -2.94 0.02 0.00 4.77 4.81 -1.19 -2.83 118.16 120.79 2nxh n LYS 4259Ca -0.03 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2nxh n LYS 4259Cb 0.11 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.66 2nxh n LYS 4259CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2nxh n TYR 4260N -1.48 0.00 -1.72 5.64 4.02 0.42 -5.04 117.16 118.99 2nxh n TYR 4260Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.50 2nxh n TYR 4260Cb 0.16 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.46 2nxh n TYR 4260CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2nxh n TYR 4261N -0.21 2.68 -1.94 -0.72 4.01 -1.13 -4.95 117.16 114.91 2nxh n TYR 4261Ca 0.00 0.26 -0.33 0.00 -0.16 0.00 0.00 57.90 57.67 2nxh n TYR 4261Cb 0.01 -2.58 0.03 0.00 -0.31 0.00 0.00 39.34 36.49 2nxh n TYR 4261CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2nxh s GLU 4262N -0.20 3.10 -0.32 -0.72 8.01 -1.26 -4.95 118.70 122.36 2nxh s GLU 4262Ca 0.67 1.31 -0.29 0.00 0.01 0.00 0.00 54.97 56.67 2nxh s GLU 4262Cb -0.54 -2.00 0.00 0.00 -4.31 0.00 0.00 34.13 27.29 2nxh s GLU 4262CO 0.46 -1.00 1.34 0.99 0.01 0.00 0.00 175.26 177.06 2nxh s THR 4263N -2.37 4.06 0.00 3.63 2.01 -1.26 -5.18 115.64 116.54 2nxh s THR 4263Ca 0.65 1.17 0.00 0.00 0.31 0.00 0.00 61.69 63.83 2nxh s THR 4263Cb -0.18 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.17 2nxh s THR 4263CO 0.38 -0.54 0.00 0.00 -0.69 0.00 0.00 174.62 173.77