#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpa s GLU 4002N 0.00 0.47 0.15 -1.58 2.12 -0.57 -4.92 118.70 114.37 2hpa s GLU 4002Ca 0.00 0.89 -0.32 0.00 0.36 0.00 0.00 54.97 55.90 2hpa s GLU 4002Cb 0.00 0.21 -0.12 0.00 0.26 0.00 0.00 34.13 34.48 2hpa s GLU 4002CO 0.00 -0.55 1.77 -0.11 -0.54 0.00 0.00 175.26 175.84 2hpa n LEU 4003N 5.41 3.92 -0.08 2.70 7.94 -1.26 -0.63 117.00 134.99 2hpa n LEU 4003Ca -0.04 1.02 -0.16 0.00 -1.11 0.00 0.00 56.01 55.72 2hpa n LEU 4003Cb 0.50 -1.54 -0.06 0.00 0.53 0.00 0.00 43.42 42.86 2hpa n LEU 4003CO 0.03 0.13 -1.03 0.29 -1.11 0.00 0.00 177.39 175.70 2hpa n LYS 4004N 4.85 0.34 -4.01 1.96 4.76 -0.48 -4.90 118.16 120.67 2hpa n LYS 4004Ca 0.17 0.14 -0.08 0.00 -2.87 0.00 0.00 58.31 55.67 2hpa n LYS 4004Cb 0.35 -1.08 -0.11 0.00 -1.84 0.00 0.00 35.03 32.35 2hpa n LYS 4004CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2hpa s PHE 4005N -2.29 0.33 -0.13 2.13 5.36 -1.18 -4.65 117.98 117.56 2hpa s PHE 4005Ca -0.22 -0.68 -0.11 0.00 -0.96 0.00 0.00 56.93 54.97 2hpa s PHE 4005Cb 0.08 -0.24 0.04 0.00 -0.34 0.00 0.00 43.02 42.55 2hpa s PHE 4005CO 0.28 -0.25 0.33 0.54 -1.46 0.00 0.00 175.22 174.66 2hpa s VAL 4006N -2.22 -0.01 -0.12 3.12 0.11 0.50 -1.02 120.40 120.77 2hpa s VAL 4006Ca -0.09 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2hpa s VAL 4006Cb -0.04 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2hpa s VAL 4006CO -0.04 0.01 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.70 2hpa s THR 4007N 0.40 1.52 -0.14 5.04 2.01 -0.71 -1.88 115.64 121.89 2hpa s THR 4007Ca -0.02 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.35 2hpa s THR 4007Cb -0.04 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 71.07 2hpa s THR 4007CO -0.02 0.45 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.42 2hpa s LEU 4008N 1.10 2.32 -0.27 4.42 1.43 -0.88 -1.60 118.68 125.21 2hpa s LEU 4008Ca -0.04 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 2hpa s LEU 4008Cb -0.14 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.63 2hpa s LEU 4008CO -0.04 0.10 -0.10 0.68 0.23 0.00 0.00 176.35 177.22 2hpa s VAL 4009N 0.74 2.22 0.41 -1.59 -7.23 -1.16 0.20 120.40 113.98 2hpa s VAL 4009Ca -0.08 -1.65 0.07 0.00 -1.81 0.00 0.00 61.98 58.51 2hpa s VAL 4009Cb -0.16 -2.32 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 2hpa s VAL 4009CO 0.01 -0.06 0.15 0.72 -0.31 0.00 0.00 175.10 175.61 2hpa s PHE 4010N 1.10 2.60 -0.08 2.82 -0.12 0.18 -2.63 117.98 121.85 2hpa s PHE 4010Ca -0.08 -0.58 -0.10 0.00 -0.05 0.00 0.00 56.93 56.12 2hpa s PHE 4010Cb -0.20 -1.90 -0.05 0.00 -0.63 0.00 0.00 43.02 40.25 2hpa s PHE 4010CO -0.05 0.24 0.25 0.50 -0.05 0.00 0.00 175.22 176.11 2hpa s ARG 4011N -3.87 3.69 1.00 1.99 3.52 -0.63 -0.04 118.95 124.61 2hpa s ARG 4011Ca 0.40 0.08 -0.11 0.00 -0.13 0.00 0.00 55.73 55.97 2hpa s ARG 4011Cb 0.04 -3.22 0.18 0.00 -1.56 0.00 0.00 34.95 30.39 2hpa s ARG 4011CO 0.22 0.70 1.03 -2.39 -0.81 0.00 0.00 175.30 174.04 2hpa n HIS 4012N 2.08 0.01 -0.46 5.12 1.44 -0.70 -2.21 115.22 120.49 2hpa n HIS 4012Ca -0.17 0.22 -0.06 0.00 -2.01 0.00 0.00 57.72 55.69 2hpa n HIS 4012Cb 0.54 -1.89 0.06 0.00 0.12 0.00 0.00 29.99 28.82 2hpa n HIS 4012CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hpa n GLY 4013N 0.62 -2.85 3.68 -1.39 0.00 -1.26 -2.41 105.19 101.59 2hpa n GLY 4013Ca 0.09 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 2hpa n GLY 4013CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hpa n ASP 4014N -3.45 2.14 -3.95 1.61 2.03 -1.26 -4.76 116.55 108.91 2hpa n ASP 4014Ca 0.03 1.04 -0.10 0.00 0.52 0.00 0.00 54.79 56.28 2hpa n ASP 4014Cb 0.12 -1.47 -0.06 0.00 -0.72 0.00 0.00 41.12 38.99 2hpa n ASP 4014CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hpa s ARG 4015N -2.35 1.28 0.67 -0.67 1.70 -1.26 -2.42 118.95 115.90 2hpa s ARG 4015Ca 0.65 -1.17 -0.11 0.00 -0.47 0.00 0.00 55.73 54.62 2hpa s ARG 4015Cb -0.49 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.30 2hpa s ARG 4015CO 0.55 -0.49 1.05 -1.54 -1.08 0.00 0.00 175.30 173.79 2hpa s SER 4016N -2.98 5.60 0.48 -2.89 1.04 -0.76 -4.89 113.70 109.29 2hpa s SER 4016Ca 0.18 1.59 -0.21 0.00 0.48 0.00 0.00 55.95 57.99 2hpa s SER 4016Cb 0.02 -2.49 -0.10 0.00 0.10 0.00 0.00 66.02 63.55 2hpa s SER 4016CO 0.02 -1.29 0.72 -2.65 0.98 0.00 0.00 173.24 171.02 2hpa n PRO 4017N -2.96 0.82 0.09 4.02 -0.02 -1.26 -3.13 135.00 132.55 2hpa n PRO 4017Ca 0.07 0.30 -0.18 0.00 -2.02 0.00 0.00 63.50 61.68 2hpa n PRO 4017Cb 0.54 -1.78 -0.14 0.00 -0.02 0.00 0.00 33.50 32.09 2hpa n PRO 4017CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2hpa h ILE 4018N 0.84 1.27 -4.56 4.25 -0.00 -1.92 -0.52 117.51 116.87 2hpa h ILE 4018Ca -0.44 -2.86 -0.40 0.00 -0.00 0.00 0.00 64.86 61.17 2hpa h ILE 4018Cb 1.38 2.85 -0.10 0.00 -0.00 0.00 0.00 36.82 40.94 2hpa h ILE 4018CO 0.52 0.84 -0.34 -0.62 -0.00 0.00 0.00 178.15 178.55 2hpa s ASP 4019N -7.12 1.42 0.18 2.16 -1.08 -1.26 -4.57 116.67 106.40 2hpa s ASP 4019Ca -0.08 -1.67 -0.21 0.00 -0.52 0.00 0.00 52.55 50.08 2hpa s ASP 4019Cb 0.06 0.62 0.05 0.00 -1.46 0.00 0.00 42.92 42.20 2hpa s ASP 4019CO 0.87 -1.19 0.58 0.28 0.52 0.00 0.00 175.17 176.23 2hpa s THR 4020N -3.18 0.01 0.33 1.71 -1.32 -1.26 -4.44 115.64 107.49 2hpa s THR 4020Ca 0.36 -0.37 -0.24 0.00 -1.21 0.00 0.00 61.69 60.23 2hpa s THR 4020Cb 0.01 -1.29 -0.10 0.00 -1.51 0.00 0.00 72.50 69.61 2hpa s THR 4020CO 0.25 -0.06 0.91 0.72 -2.21 0.00 0.00 174.62 174.24 2hpa s PHE 4021N -3.81 3.61 0.46 9.09 -0.71 0.15 -4.92 117.98 121.86 2hpa s PHE 4021Ca 0.04 1.69 0.27 0.00 -1.04 0.00 0.00 56.93 57.89 2hpa s PHE 4021Cb -0.01 -2.86 1.32 0.00 -1.21 0.00 0.00 43.02 40.25 2hpa s PHE 4021CO -0.08 0.17 1.77 -1.00 -1.34 0.00 0.00 175.22 174.74 2hpa h PRO 4022N 2.97 0.20 0.00 1.99 0.13 -1.88 -0.89 132.00 134.53 2hpa h PRO 4022Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2hpa h PRO 4022Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2hpa h PRO 4022CO 0.64 0.13 0.00 1.15 -0.23 0.00 0.00 178.00 179.70 2hpa h THR 4023N 0.21 0.00 -2.63 1.56 2.02 -1.68 -3.45 112.91 108.93 2hpa h THR 4023Ca 0.61 -0.74 -0.56 0.00 0.77 0.00 0.00 66.41 66.48 2hpa h THR 4023Cb 1.93 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 70.05 2hpa h THR 4023CO -0.19 0.00 1.18 -0.62 0.37 0.00 0.00 175.52 176.25 2hpa s ASP 4024N -5.51 6.29 0.47 4.18 2.15 -0.34 -4.87 116.67 119.04 2hpa s ASP 4024Ca 0.07 1.78 0.31 0.00 0.43 0.00 0.00 52.55 55.15 2hpa s ASP 4024Cb 0.08 -2.53 1.34 0.00 -0.30 0.00 0.00 42.92 41.52 2hpa s ASP 4024CO 0.62 -1.31 1.93 1.55 -0.17 0.00 0.00 175.17 177.79 2hpa h PRO 4025N 11.17 0.00 -5.62 4.34 0.13 -1.88 -3.36 132.00 136.77 2hpa h PRO 4025Ca -0.36 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.09 2hpa h PRO 4025Cb 1.17 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 2hpa h PRO 4025CO 0.99 0.00 1.76 0.42 -0.23 0.00 0.00 178.00 180.93 2hpa s ILE 4026N -3.60 4.31 0.69 -3.56 1.01 -1.26 -4.97 121.20 113.81 2hpa s ILE 4026Ca 0.01 -1.77 -0.06 0.00 0.00 0.00 0.00 60.65 58.84 2hpa s ILE 4026Cb 0.09 -5.07 0.06 0.00 0.01 0.00 0.00 42.46 37.55 2hpa s ILE 4026CO 0.47 -1.88 0.99 -0.54 0.00 0.00 0.00 174.94 173.98 2hpa s LYS 4027N 3.74 2.23 0.39 2.79 1.02 -1.26 -4.92 119.74 123.74 2hpa s LYS 4027Ca 0.48 -0.31 0.24 0.00 0.02 0.00 0.00 55.97 56.40 2hpa s LYS 4027Cb 0.01 -2.20 1.36 0.00 -0.52 0.00 0.00 37.83 36.47 2hpa s LYS 4027CO 0.01 -1.19 1.60 1.49 -0.92 0.00 0.00 175.35 176.34 2hpa h GLU 4028N -0.53 0.07 -0.00 1.68 4.81 -1.95 0.16 114.58 118.82 2hpa h GLU 4028Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2hpa h GLU 4028Cb 1.31 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 2hpa h GLU 4028CO 0.59 0.04 0.01 0.66 -0.73 0.00 0.00 179.01 179.59 2hpa h SER 4029N 0.07 0.00 1.03 1.04 4.64 -1.97 -1.58 113.55 116.78 2hpa h SER 4029Ca 0.83 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 62.15 2hpa h SER 4029Cb 2.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.44 2hpa h SER 4029CO -0.61 0.00 -0.01 0.28 -0.87 0.00 0.00 176.83 175.62 2hpa h SER 4030N 0.00 0.00 -3.74 4.97 0.02 -1.02 -3.41 113.55 110.37 2hpa h SER 4030Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 2hpa h SER 4030Cb 0.02 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.40 2hpa h SER 4030CO -0.00 0.01 -0.51 0.26 -1.14 0.00 0.00 176.83 175.45 2hpa s TRP 4031N -3.67 3.27 0.60 3.45 0.52 -0.59 -4.99 118.94 117.52 2hpa s TRP 4031Ca 0.01 0.17 0.28 0.00 0.02 0.00 0.00 56.10 56.58 2hpa s TRP 4031Cb 0.09 -2.32 1.36 0.00 -1.15 0.00 0.00 33.47 31.44 2hpa s TRP 4031CO 0.55 -0.05 1.76 -1.00 0.02 0.00 0.00 176.95 178.23 2hpa h PRO 4032N 7.94 0.00 0.00 4.98 0.13 -1.84 -1.72 132.00 141.49 2hpa h PRO 4032Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2hpa h PRO 4032Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2hpa h PRO 4032CO 0.60 0.00 -0.02 1.04 -0.23 0.00 0.00 178.00 179.39 2hpa n GLN 4033N -3.55 2.18 0.00 0.86 3.00 -1.26 -5.12 117.38 113.48 2hpa n GLN 4033Ca 0.11 -1.57 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 2hpa n GLN 4033Cb 0.86 -1.02 0.00 0.00 0.00 0.00 0.00 30.24 30.08 2hpa n GLN 4033CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2hpa n GLY 4034N -0.61 -1.56 3.91 1.08 0.00 -0.65 -4.77 105.19 102.59 2hpa n GLY 4034Ca 0.03 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 2hpa n GLY 4034CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hpa s PHE 4035N 0.00 3.53 -1.88 1.61 0.08 -1.26 -4.29 117.98 115.77 2hpa s PHE 4035Ca 0.00 0.74 0.00 0.00 0.12 0.00 0.00 56.93 57.79 2hpa s PHE 4035Cb 0.00 -2.28 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 2hpa s PHE 4035CO 0.00 -0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.26 2hpa n GLY 4036N -2.23 1.09 3.43 4.36 0.00 -0.20 -4.94 105.19 106.71 2hpa n GLY 4036Ca 0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2hpa n GLY 4036CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hpa s GLN 4037N -4.05 3.58 0.13 1.61 2.00 -1.26 -4.35 119.66 117.32 2hpa s GLN 4037Ca 0.00 -0.54 -0.31 0.00 -2.00 0.00 0.00 55.36 52.51 2hpa s GLN 4037Cb 0.00 -3.03 -0.10 0.00 0.80 0.00 0.00 33.01 30.68 2hpa s GLN 4037CO 0.00 0.02 1.78 -1.17 -0.50 0.00 0.00 175.29 175.42 2hpa s LEU 4038N 0.95 4.39 0.00 3.68 2.96 -1.26 -1.83 118.68 127.56 2hpa s LEU 4038Ca 0.01 2.74 -0.06 0.00 -0.22 0.00 0.00 54.13 56.60 2hpa s LEU 4038Cb -0.14 -3.57 0.12 0.00 0.50 0.00 0.00 46.19 43.10 2hpa s LEU 4038CO 0.01 -0.98 0.78 0.35 -1.32 0.00 0.00 176.35 175.20 2hpa n THR 4039N 4.58 0.00 0.13 3.68 -2.24 -1.01 -4.93 114.28 114.49 2hpa n THR 4039Ca 0.17 -0.86 -0.02 0.00 -2.27 0.00 0.00 64.05 61.08 2hpa n THR 4039Cb 0.38 -1.36 0.14 0.00 -2.10 0.00 0.00 70.33 67.39 2hpa n THR 4039CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2hpa h GLN 4040N 0.00 0.00 -0.19 -0.78 1.08 -1.94 -2.65 115.11 110.64 2hpa h GLN 4040Ca -0.26 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.90 2hpa h GLN 4040Cb 0.81 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 2hpa h GLN 4040CO 0.22 0.65 -0.05 1.25 -0.95 0.00 0.00 178.83 179.95 2hpa h LEU 4041N 0.00 0.37 -1.97 1.46 5.85 -1.94 -1.27 115.31 117.82 2hpa h LEU 4041Ca -0.01 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2hpa h LEU 4041Cb 1.15 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2hpa h LEU 4041CO 0.08 0.66 -0.10 1.23 -0.34 0.00 0.00 178.44 179.97 2hpa h GLY 4042N 0.07 0.00 0.91 3.75 0.00 -1.67 0.12 103.07 106.26 2hpa h GLY 4042Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 2hpa h GLY 4042CO 0.02 0.00 -0.44 -0.33 0.00 0.00 0.00 176.54 175.79 2hpa h MET 4043N 0.00 0.57 0.16 4.80 2.86 -1.14 -2.65 114.93 119.53 2hpa h MET 4043Ca -0.00 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2hpa h MET 4043Cb 0.23 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2hpa h MET 4043CO 0.01 1.03 -0.14 0.93 1.06 0.00 0.00 176.91 179.80 2hpa h GLU 4044N 0.21 -0.30 -0.99 1.72 5.08 0.01 0.58 114.58 120.89 2hpa h GLU 4044Ca -0.01 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.57 2hpa h GLU 4044Cb 1.06 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.28 2hpa h GLU 4044CO 0.09 -0.20 0.62 1.96 -1.00 0.00 0.00 179.01 180.48 2hpa h GLN 4045N -0.31 0.66 0.05 2.33 4.20 -0.83 0.48 115.11 121.68 2hpa h GLN 4045Ca -0.00 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 58.43 2hpa h GLN 4045Cb 0.29 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2hpa h GLN 4045CO -0.02 0.44 -1.09 0.45 -0.67 0.00 0.00 178.83 177.93 2hpa h HIS 4046N 0.68 0.19 -0.54 2.96 3.86 -1.07 -2.09 115.15 119.14 2hpa h HIS 4046Ca 0.56 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.60 2hpa h HIS 4046Cb 0.99 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 2hpa h HIS 4046CO -0.00 1.11 0.23 -0.92 0.86 0.00 0.00 177.93 179.20 2hpa h TYR 4047N 0.03 0.78 -0.23 2.45 3.20 0.18 0.21 116.97 123.59 2hpa h TYR 4047Ca -0.06 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.71 2hpa h TYR 4047Cb 1.85 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.87 2hpa h TYR 4047CO 0.02 0.59 -0.11 1.49 -1.64 0.00 0.00 178.16 178.52 2hpa h GLU 4048N 0.77 0.47 -0.86 1.82 4.22 -0.20 -2.33 114.58 118.48 2hpa h GLU 4048Ca 0.19 -0.21 0.02 0.00 0.08 0.00 0.00 59.36 59.45 2hpa h GLU 4048Cb 0.14 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2hpa h GLU 4048CO -0.02 0.75 0.56 1.25 -2.18 0.00 0.00 179.01 179.36 2hpa h LEU 4049N 0.18 0.94 0.16 1.64 6.46 -0.45 -1.99 115.31 122.25 2hpa h LEU 4049Ca 0.05 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2hpa h LEU 4049Cb 0.60 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 2hpa h LEU 4049CO 0.03 0.66 -0.14 1.23 -0.62 0.00 0.00 178.44 179.60 2hpa h GLY 4050N 1.10 -0.31 0.62 3.75 0.00 -0.52 -1.35 103.07 106.36 2hpa h GLY 4050Ca 0.33 0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.94 2hpa h GLY 4050CO -0.10 -0.15 0.59 0.83 0.00 0.00 0.00 176.54 177.72 2hpa h GLU 4051N -0.33 0.85 -0.13 4.80 5.08 -1.00 -1.43 114.58 122.43 2hpa h GLU 4051Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2hpa h GLU 4051Cb 0.30 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2hpa h GLU 4051CO -0.03 0.56 0.00 -0.92 -1.00 0.00 0.00 179.01 177.63 2hpa h TYR 4052N 0.88 0.25 -0.89 4.33 3.20 -0.95 -2.56 116.97 121.23 2hpa h TYR 4052Ca 0.44 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.33 2hpa h TYR 4052Cb 0.49 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 2hpa h TYR 4052CO -0.00 0.46 0.56 0.82 -1.64 0.00 0.00 178.16 178.36 2hpa h ILE 4053N -0.03 1.05 -0.11 1.81 1.08 -0.67 0.65 117.51 121.30 2hpa h ILE 4053Ca 0.04 -0.35 0.04 0.00 -0.39 0.00 0.00 64.86 64.20 2hpa h ILE 4053Cb 0.36 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.02 2hpa h ILE 4053CO 0.01 0.19 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.42 2hpa h ARG 4054N 1.02 -0.18 -0.42 2.37 2.43 -1.09 0.11 114.38 118.61 2hpa h ARG 4054Ca 0.39 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.49 2hpa h ARG 4054Cb 0.17 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2hpa h ARG 4054CO -0.17 -0.12 -0.03 0.87 -1.51 0.00 0.00 179.97 179.01 2hpa h LYS 4055N -0.18 0.76 -0.77 0.20 1.57 -1.16 0.65 116.57 117.65 2hpa h LYS 4055Ca 0.08 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2hpa h LYS 4055Cb 0.30 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 2hpa h LYS 4055CO -0.22 0.85 0.50 -0.09 -0.57 0.00 0.00 179.45 179.93 2hpa h ARG 4056N 0.59 0.87 -0.48 3.15 2.43 -0.05 -1.88 114.38 119.01 2hpa h ARG 4056Ca 0.12 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 58.95 2hpa h ARG 4056Cb 0.53 -0.20 -0.17 0.00 -0.42 0.00 0.00 29.97 29.71 2hpa h ARG 4056CO 0.03 0.58 -0.08 0.66 -1.51 0.00 0.00 179.97 179.65 2hpa n TYR 4057N -4.46 1.55 -0.20 2.20 4.01 0.29 -4.68 117.16 115.87 2hpa n TYR 4057Ca 0.10 -1.82 0.20 0.00 -0.16 0.00 0.00 57.90 56.22 2hpa n TYR 4057Cb 0.15 -0.57 0.56 0.00 -0.31 0.00 0.00 39.34 39.17 2hpa n TYR 4057CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2hpa h ARG 4058N 1.23 0.31 0.09 -0.72 9.65 -0.00 -1.69 114.38 123.24 2hpa h ARG 4058Ca 0.29 -0.02 -0.31 0.00 -1.10 0.00 0.00 59.98 58.85 2hpa h ARG 4058Cb 1.63 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 30.12 2hpa h ARG 4058CO 0.56 0.20 -1.64 0.87 2.80 0.00 0.00 179.97 182.76 2hpa h LYS 4059N 0.32 0.18 0.49 0.20 1.57 -1.83 -3.40 116.57 114.09 2hpa h LYS 4059Ca 0.43 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2hpa h LYS 4059Cb 1.19 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 2hpa h LYS 4059CO -0.13 1.15 -0.46 0.35 -0.57 0.00 0.00 179.45 179.79 2hpa h PHE 4060N -0.34 -1.25 -3.71 -1.35 3.57 -1.74 -3.33 116.94 108.78 2hpa h PHE 4060Ca -0.38 0.01 -0.78 0.00 3.53 0.00 0.00 57.97 60.35 2hpa h PHE 4060Cb 1.75 0.48 -0.28 0.00 2.79 0.00 0.00 35.95 40.70 2hpa h PHE 4060CO 0.09 -0.63 0.17 -0.51 -2.23 0.00 0.00 178.31 175.20 2hpa s LEU 4061N -10.14 6.50 -0.56 0.59 1.43 -0.69 -4.92 118.68 110.89 2hpa s LEU 4061Ca -0.18 -3.02 -0.01 0.00 -1.03 0.00 0.00 54.13 49.90 2hpa s LEU 4061Cb 0.05 -2.17 0.44 0.00 0.03 0.00 0.00 46.19 44.53 2hpa s LEU 4061CO 0.61 -0.46 1.99 -0.46 0.23 0.00 0.00 176.35 178.27 2hpa n ASN 4062N 3.49 6.71 -3.58 2.29 0.23 -1.25 -4.78 115.26 118.36 2hpa n ASN 4062Ca 0.17 -3.60 -0.07 0.00 -0.53 0.00 0.00 54.58 50.54 2hpa n ASN 4062Cb 0.44 -0.96 -0.08 0.00 -2.08 0.00 0.00 39.78 37.09 2hpa n ASN 4062CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2hpa s GLU 4063N -3.33 0.36 -0.76 -3.83 8.01 -1.26 -5.09 118.70 112.80 2hpa s GLU 4063Ca 0.57 0.98 -0.24 0.00 0.01 0.00 0.00 54.97 56.29 2hpa s GLU 4063Cb 0.45 0.25 -0.23 0.00 -4.31 0.00 0.00 34.13 30.28 2hpa s GLU 4063CO 0.01 -0.33 1.87 -1.13 0.01 0.00 0.00 175.26 175.69 2hpa n SER 4064N 5.39 0.86 -1.61 -0.19 3.41 -1.26 -4.29 113.62 115.92 2hpa n SER 4064Ca -0.08 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 2hpa n SER 4064Cb 0.50 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 2hpa n SER 4064CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hpa n TYR 4065N 16.14 -2.59 -3.78 7.33 9.36 -1.26 -4.92 117.16 137.43 2hpa n TYR 4065Ca 0.37 1.55 -0.26 0.00 3.32 0.00 0.00 57.90 62.88 2hpa n TYR 4065Cb 0.46 -2.96 -0.17 0.00 -0.63 0.00 0.00 39.34 36.04 2hpa n TYR 4065CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2hpa s LYS 4066N -1.40 0.82 0.58 2.98 1.02 -1.26 -5.02 119.74 117.45 2hpa s LYS 4066Ca 0.00 -0.24 0.29 0.00 0.02 0.00 0.00 55.97 56.04 2hpa s LYS 4066Cb 0.00 -1.66 1.45 0.00 -0.52 0.00 0.00 37.83 37.09 2hpa s LYS 4066CO 0.00 -0.47 1.86 1.12 -0.92 0.00 0.00 175.35 176.94 2hpa h HIS 4067N 8.25 0.00 0.00 3.18 2.07 -1.98 0.55 115.15 127.22 2hpa h HIS 4067Ca -0.19 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.33 2hpa h HIS 4067Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2hpa h HIS 4067CO 0.39 0.00 0.00 -0.85 -3.07 0.00 0.00 177.93 174.40 2hpa n GLU 4068N -3.78 0.67 -0.00 5.12 0.00 -1.26 -3.59 120.64 117.80 2hpa n GLU 4068Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.29 2hpa n GLU 4068Cb 0.78 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.71 2hpa n GLU 4068CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2hpa n GLN 4069N -1.11 0.48 -4.71 3.44 6.02 0.19 -4.22 117.38 117.47 2hpa n GLN 4069Ca 0.17 -0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.93 2hpa n GLN 4069Cb 0.14 -0.97 -0.15 0.00 1.02 0.00 0.00 30.24 30.27 2hpa n GLN 4069CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2hpa s VAL 4070N -1.94 1.22 -0.05 5.09 1.01 -1.03 -0.84 120.40 123.85 2hpa s VAL 4070Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2hpa s VAL 4070Cb 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.38 2hpa s VAL 4070CO 0.01 0.35 0.06 -0.47 0.00 0.00 0.00 175.10 175.04 2hpa s TYR 4071N -0.16 0.14 -0.11 5.22 6.14 -0.97 -4.71 117.35 122.91 2hpa s TYR 4071Ca 0.02 0.17 0.00 0.00 0.64 0.00 0.00 57.07 57.90 2hpa s TYR 4071Cb -0.08 -0.53 -0.02 0.00 0.42 0.00 0.00 41.96 41.75 2hpa s TYR 4071CO 0.00 -0.23 -0.11 0.42 0.64 0.00 0.00 175.55 176.28 2hpa s ILE 4072N 2.15 3.27 0.00 3.14 1.09 -1.26 -0.30 121.20 129.28 2hpa s ILE 4072Ca 0.05 -0.61 0.05 0.00 -1.10 0.00 0.00 60.65 59.04 2hpa s ILE 4072Cb -0.12 -2.36 -0.02 0.00 -1.06 0.00 0.00 42.46 38.91 2hpa s ILE 4072CO -0.04 0.54 -0.16 -0.60 -0.10 0.00 0.00 174.94 174.58 2hpa s ARG 4073N -0.04 1.27 0.07 2.79 3.52 0.19 -1.22 118.95 125.52 2hpa s ARG 4073Ca -0.02 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2hpa s ARG 4073Cb -0.14 -1.26 -0.04 0.00 -1.56 0.00 0.00 34.95 31.96 2hpa s ARG 4073CO 0.04 0.34 -0.05 0.45 -0.81 0.00 0.00 175.30 175.26 2hpa s SER 4074N -0.57 0.79 0.32 -2.12 0.15 0.78 -0.34 113.70 112.71 2hpa s SER 4074Ca 0.06 -0.92 -0.26 0.00 0.70 0.00 0.00 55.95 55.52 2hpa s SER 4074Cb -0.07 0.13 -0.10 0.00 -1.71 0.00 0.00 66.02 64.28 2hpa s SER 4074CO -0.00 -0.48 0.96 0.42 1.20 0.00 0.00 173.24 175.33 2hpa s THR 4075N -3.38 4.14 -0.83 6.45 -4.23 -1.14 -4.19 115.64 112.46 2hpa s THR 4075Ca 0.06 1.79 -0.14 0.00 -1.18 0.00 0.00 61.69 62.22 2hpa s THR 4075Cb 0.04 -4.00 -0.10 0.00 1.34 0.00 0.00 72.50 69.78 2hpa s THR 4075CO -0.06 0.16 2.00 -0.67 -0.54 0.00 0.00 174.62 175.50 2hpa n ASP 4076N 0.58 3.62 -3.88 3.99 2.03 -1.24 -4.31 116.55 117.34 2hpa n ASP 4076Ca 0.02 -2.50 -0.17 0.00 0.52 0.00 0.00 54.79 52.66 2hpa n ASP 4076Cb 0.50 -1.10 -0.16 0.00 -0.72 0.00 0.00 41.12 39.64 2hpa n ASP 4076CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2hpa s VAL 4077N 4.23 0.33 0.22 5.18 1.01 -1.26 -4.72 120.40 125.38 2hpa s VAL 4077Ca 0.47 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 2hpa s VAL 4077Cb 0.12 -0.36 0.25 0.00 0.00 0.00 0.00 36.38 36.39 2hpa s VAL 4077CO 0.04 0.15 1.60 0.44 0.00 0.00 0.00 175.10 177.33 2hpa h ASP 4078N 6.84 -0.82 -0.60 3.32 5.19 -1.89 0.48 116.42 128.95 2hpa h ASP 4078Ca -0.37 0.22 0.08 0.00 -0.62 0.00 0.00 57.03 56.34 2hpa h ASP 4078Cb 1.16 0.49 -0.04 0.00 0.18 0.00 0.00 39.33 41.12 2hpa h ASP 4078CO 0.49 -0.26 0.40 0.08 -3.12 0.00 0.00 179.24 176.82 2hpa h ARG 4079N -0.04 0.50 0.01 3.56 0.11 -1.95 0.31 114.38 116.88 2hpa h ARG 4079Ca 0.32 -0.03 -0.26 0.00 0.10 0.00 0.00 59.98 60.11 2hpa h ARG 4079Cb 0.54 -0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.47 2hpa h ARG 4079CO -0.73 0.33 -1.36 1.79 0.10 0.00 0.00 179.97 180.09 2hpa h THR 4080N 0.51 1.28 -0.20 0.08 1.35 -1.47 -2.85 112.91 111.61 2hpa h THR 4080Ca 0.26 -3.05 -0.11 0.00 -0.55 0.00 0.00 66.41 62.97 2hpa h THR 4080Cb 0.38 2.65 -0.00 0.00 -1.73 0.00 0.00 68.15 69.45 2hpa h THR 4080CO -0.08 0.75 -0.31 -0.07 -0.25 0.00 0.00 175.52 175.56 2hpa h LEU 4081N 0.01 0.62 -0.36 3.87 -0.00 -0.27 -2.60 115.31 116.57 2hpa h LEU 4081Ca -0.15 -0.52 -0.08 0.00 -0.00 0.00 0.00 57.88 57.12 2hpa h LEU 4081Cb 1.90 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 42.37 2hpa h LEU 4081CO 0.11 1.02 -0.10 0.24 -0.00 0.00 0.00 178.44 179.71 2hpa h MET 4082N 0.23 0.71 -0.54 1.13 2.86 -0.53 -2.27 114.93 116.52 2hpa h MET 4082Ca 0.02 -0.28 0.07 0.00 -2.06 0.00 0.00 59.70 57.45 2hpa h MET 4082Cb 0.89 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.45 2hpa h MET 4082CO 0.07 0.87 0.21 0.77 1.06 0.00 0.00 176.91 179.89 2hpa h SER 4083N 0.50 0.23 -0.65 1.22 0.02 -1.55 0.34 113.55 113.66 2hpa h SER 4083Ca 0.09 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 2hpa h SER 4083Cb 0.62 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 2hpa h SER 4083CO 0.04 0.15 0.10 0.00 -1.14 0.00 0.00 176.83 175.99 2hpa h ALA 4084N 1.35 0.86 -0.48 3.77 0.00 -1.35 -0.76 119.26 122.65 2hpa h ALA 4084Ca 0.26 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2hpa h ALA 4084Cb 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2hpa h ALA 4084CO -0.25 0.62 -0.17 0.52 0.00 0.00 0.00 179.25 179.97 2hpa h MET 4085N 0.99 0.93 -0.25 0.00 2.86 -0.74 -1.10 114.93 117.61 2hpa h MET 4085Ca 0.20 -0.36 -0.16 0.00 -2.06 0.00 0.00 59.70 57.31 2hpa h MET 4085Cb 0.44 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2hpa h MET 4085CO 0.01 1.02 -0.49 1.15 1.06 0.00 0.00 176.91 179.66 2hpa h THR 4086N 0.82 1.30 0.37 2.22 2.02 -0.21 -2.28 112.91 117.14 2hpa h THR 4086Ca 0.12 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 2hpa h THR 4086Cb 0.72 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2hpa h THR 4086CO 0.06 0.54 -0.19 -1.13 0.37 0.00 0.00 175.52 175.16 2hpa h ASN 4087N 0.55 -0.47 0.19 4.18 -0.73 -0.97 -2.27 115.58 116.05 2hpa h ASN 4087Ca 0.02 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 2hpa h ASN 4087Cb 1.05 0.13 -0.00 0.00 0.27 0.00 0.00 38.32 39.77 2hpa h ASN 4087CO 0.10 -0.32 -0.04 -0.07 -0.37 0.00 0.00 177.43 176.73 2hpa h LEU 4088N -0.52 0.00 -1.48 0.34 3.38 -1.16 -1.51 115.31 114.36 2hpa h LEU 4088Ca -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2hpa h LEU 4088Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2hpa h LEU 4088CO 0.07 0.04 -0.22 0.00 0.09 0.00 0.00 178.44 178.42 2hpa h ALA 4089N 1.96 1.19 0.01 1.53 0.00 -0.80 -0.72 119.26 122.43 2hpa h ALA 4089Ca -0.00 -0.20 -0.32 0.00 0.00 0.00 0.00 54.91 54.39 2hpa h ALA 4089Cb 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2hpa h ALA 4089CO 0.01 0.27 -1.94 0.00 0.00 0.00 0.00 179.25 177.59 2hpa n ALA 4090N -2.29 1.45 -0.03 0.00 0.00 -0.63 -4.28 120.51 114.73 2hpa n ALA 4090Ca -0.01 -0.92 -0.15 0.00 0.00 0.00 0.00 53.44 52.36 2hpa n ALA 4090Cb 0.35 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 2hpa n ALA 4090CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hpa h LEU 4091N 0.00 0.39 -6.00 0.00 6.46 -1.17 -3.39 115.31 111.60 2hpa h LEU 4091Ca -0.38 -0.63 -0.59 0.00 -0.12 0.00 0.00 57.88 56.16 2hpa h LEU 4091Cb 2.08 -0.11 -0.42 0.00 -0.73 0.00 0.00 40.66 41.47 2hpa h LEU 4091CO 0.06 0.96 -0.64 0.49 -0.62 0.00 0.00 178.44 178.69 2hpa n PHE 4092N -4.44 3.48 -2.20 1.25 3.72 -0.30 -4.82 117.46 114.15 2hpa n PHE 4092Ca -0.08 -4.09 -0.38 0.00 -0.05 0.00 0.00 57.45 52.85 2hpa n PHE 4092Cb 0.48 -0.53 -0.01 0.00 -0.94 0.00 0.00 39.48 38.49 2hpa n PHE 4092CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2hpa s PRO 4093N -2.61 3.78 0.01 -1.08 0.02 -1.26 -4.72 135.00 129.14 2hpa s PRO 4093Ca 0.42 1.87 -0.30 0.00 0.02 0.00 0.00 61.00 63.00 2hpa s PRO 4093Cb 0.18 -2.48 -0.08 0.00 0.02 0.00 0.00 34.50 32.14 2hpa s PRO 4093CO -0.04 -0.56 1.87 -2.14 -0.33 0.00 0.00 177.00 175.81 2hpa s PRO 4094N -2.59 4.15 -0.15 5.54 0.02 -1.26 -4.87 135.00 135.83 2hpa s PRO 4094Ca 0.62 2.49 -0.00 0.00 0.02 0.00 0.00 61.00 64.13 2hpa s PRO 4094Cb -0.31 -4.11 -0.00 0.00 0.02 0.00 0.00 34.50 30.10 2hpa s PRO 4094CO 0.38 -0.93 -0.14 -1.21 -0.33 0.00 0.00 177.00 174.77 2hpa s GLU 4095N 4.34 3.25 5.93 5.54 0.41 -1.26 -4.59 118.70 132.31 2hpa s GLU 4095Ca 0.84 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 54.67 2hpa s GLU 4095Cb -0.40 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.30 2hpa s GLU 4095CO 0.38 0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.59 2hpa n GLY 4096N 4.02 3.70 0.34 -1.39 0.00 -1.26 -1.02 105.19 109.58 2hpa n GLY 4096Ca -0.19 0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.15 2hpa n GLY 4096CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2hpa h VAL 4097N 0.00 0.35 -0.08 1.61 3.04 -2.03 0.16 116.25 119.30 2hpa h VAL 4097Ca 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.71 2hpa h VAL 4097Cb 0.00 0.80 -0.00 0.00 -2.01 0.00 0.00 31.29 30.08 2hpa h VAL 4097CO 0.00 0.00 0.08 -1.28 -1.01 0.00 0.00 177.57 175.36 2hpa h SER 4098N 0.00 0.00 -2.75 3.17 0.87 -1.43 -3.39 113.55 110.02 2hpa h SER 4098Ca 0.08 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.10 2hpa h SER 4098Cb 0.56 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.46 2hpa h SER 4098CO -0.00 0.00 1.10 -0.63 -0.53 0.00 0.00 176.83 176.76 2hpa s ILE 4099N -4.72 3.78 -0.06 2.23 1.01 0.04 -4.70 121.20 118.77 2hpa s ILE 4099Ca -0.05 0.63 0.13 0.00 0.00 0.00 0.00 60.65 61.37 2hpa s ILE 4099Cb 0.16 -4.51 -0.19 0.00 0.01 0.00 0.00 42.46 37.93 2hpa s ILE 4099CO 0.58 -1.27 0.80 4.11 0.00 0.00 0.00 174.94 179.16 2hpa h TRP 4100N 10.97 0.00 -3.61 3.97 5.08 -1.87 -3.44 115.95 127.05 2hpa h TRP 4100Ca -0.27 0.00 -0.62 0.00 1.08 0.00 0.00 58.89 59.09 2hpa h TRP 4100Cb 1.09 0.00 -0.38 0.00 -3.00 0.00 0.00 29.16 26.87 2hpa h TRP 4100CO 1.05 0.86 -0.79 1.21 -1.28 0.00 0.00 178.44 179.48 2hpa s ASN 4101N -6.07 3.80 0.46 0.11 3.84 -1.26 -5.01 114.94 110.81 2hpa s ASN 4101Ca -0.03 -1.13 0.25 0.00 0.21 0.00 0.00 52.86 52.15 2hpa s ASN 4101Cb 0.08 -1.22 1.06 0.00 -0.55 0.00 0.00 41.25 40.63 2hpa s ASN 4101CO 0.82 -0.21 1.89 1.55 -2.79 0.00 0.00 177.10 178.35 2hpa h PRO 4102N 7.94 0.00 -0.24 0.43 0.13 -1.98 -2.73 132.00 135.55 2hpa h PRO 4102Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2hpa h PRO 4102Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2hpa h PRO 4102CO 0.43 0.20 0.00 -0.89 -0.23 0.00 0.00 178.00 177.51 2hpa n ILE 4103N -3.45 0.30 -3.42 -3.56 -0.00 -1.26 -4.64 119.36 103.34 2hpa n ILE 4103Ca -0.00 -0.56 -0.20 0.00 -0.00 0.00 0.00 62.75 61.99 2hpa n ILE 4103Cb 0.38 0.86 -0.10 0.00 -0.00 0.00 0.00 39.64 40.77 2hpa n ILE 4103CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 2hpa s LEU 4104N -1.63 0.05 -1.42 1.39 2.96 -1.03 -5.05 118.68 113.95 2hpa s LEU 4104Ca 0.35 -1.19 -0.13 0.00 -0.22 0.00 0.00 54.13 52.94 2hpa s LEU 4104Cb 0.21 0.30 -0.03 0.00 0.50 0.00 0.00 46.19 47.17 2hpa s LEU 4104CO 0.30 -0.36 2.44 0.18 -1.32 0.00 0.00 176.35 177.60 2hpa n LEU 4105N 4.91 7.16 -3.77 -0.68 4.77 -1.25 -4.38 117.00 123.75 2hpa n LEU 4105Ca 0.02 -4.03 -0.13 0.00 -0.03 0.00 0.00 56.01 51.84 2hpa n LEU 4105Cb 0.44 -1.54 -0.10 0.00 -2.33 0.00 0.00 43.42 39.89 2hpa n LEU 4105CO 0.04 1.28 -0.00 0.86 -1.33 0.00 0.00 177.39 178.24 2hpa s TRP 4106N 3.02 -0.26 0.01 -1.77 -0.00 -1.26 -4.39 118.94 114.30 2hpa s TRP 4106Ca 0.55 0.55 0.02 0.00 -0.00 0.00 0.00 56.10 57.23 2hpa s TRP 4106Cb 0.15 0.10 -0.01 0.00 -0.00 0.00 0.00 33.47 33.71 2hpa s TRP 4106CO -0.06 -0.27 -0.08 1.14 -0.00 0.00 0.00 176.95 177.68 2hpa s GLN 4107N -0.57 0.56 0.01 5.86 -2.07 -1.26 -4.76 119.66 117.42 2hpa s GLN 4107Ca -0.07 -0.42 -0.30 0.00 -1.82 0.00 0.00 55.36 52.75 2hpa s GLN 4107Cb -0.04 -0.49 -0.05 0.00 -1.09 0.00 0.00 33.01 31.34 2hpa s GLN 4107CO 0.02 0.12 1.33 -1.25 -1.32 0.00 0.00 175.29 174.20 2hpa s PRO 4108N -0.64 4.32 -0.12 9.60 0.04 -1.26 -4.99 135.00 141.95 2hpa s PRO 4108Ca -0.01 1.89 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 2hpa s PRO 4108Cb -0.05 -3.51 0.02 0.00 0.04 0.00 0.00 34.50 31.00 2hpa s PRO 4108CO 0.00 -0.50 -0.09 0.42 0.04 0.00 0.00 177.00 176.87 2hpa s ILE 4109N 2.08 1.15 -0.09 0.56 1.01 -1.26 -5.12 121.20 119.53 2hpa s ILE 4109Ca 0.61 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.60 2hpa s ILE 4109Cb -0.30 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 2hpa s ILE 4109CO 0.26 0.39 1.72 -2.16 0.00 0.00 0.00 174.94 175.15 2hpa s PRO 4110N 1.63 4.02 -0.32 2.79 0.04 -1.26 -4.99 135.00 136.91 2hpa s PRO 4110Ca 0.04 2.11 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 2hpa s PRO 4110Cb -0.13 -4.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.35 2hpa s PRO 4110CO -0.08 -1.04 0.20 0.08 0.04 0.00 0.00 177.00 176.19 2hpa s VAL 4111N 4.63 5.00 0.13 -0.36 1.01 -1.26 -4.33 120.40 125.21 2hpa s VAL 4111Ca 0.76 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 2hpa s VAL 4111Cb -0.32 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 2hpa s VAL 4111CO 0.31 0.04 0.51 -1.00 0.00 0.00 0.00 175.10 174.96 2hpa s HIS 4112N 1.68 3.61 0.22 5.22 3.76 -0.36 -4.88 115.29 124.53 2hpa s HIS 4112Ca 0.06 1.00 0.04 0.00 -0.15 0.00 0.00 55.06 56.00 2hpa s HIS 4112Cb -0.17 -2.32 -0.01 0.00 1.11 0.00 0.00 32.58 31.18 2hpa s HIS 4112CO 0.09 0.46 0.21 -2.37 -0.85 0.00 0.00 174.74 172.28 2hpa n THR 4113N 0.88 0.00 -3.66 1.30 5.66 -1.26 -0.16 114.28 117.03 2hpa n THR 4113Ca -0.06 -1.47 -0.13 0.00 -3.05 0.00 0.00 64.05 59.34 2hpa n THR 4113Cb 0.52 0.77 -0.06 0.00 -1.55 0.00 0.00 70.33 70.00 2hpa n THR 4113CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2hpa s VAL 4114N -2.83 0.05 0.27 1.08 1.01 -1.26 -5.00 120.40 113.73 2hpa s VAL 4114Ca 0.24 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 2hpa s VAL 4114Cb 0.01 -0.92 -0.13 0.00 0.00 0.00 0.00 36.38 35.34 2hpa s VAL 4114CO 0.17 -0.23 1.43 -2.65 0.00 0.00 0.00 175.10 173.82 2hpa n PRO 4115N 0.60 2.19 -0.24 2.72 -0.02 -1.26 -3.64 135.00 135.35 2hpa n PRO 4115Ca -0.19 0.78 0.03 0.00 -2.02 0.00 0.00 63.50 62.10 2hpa n PRO 4115Cb 0.59 -2.45 0.15 0.00 -0.02 0.00 0.00 33.50 31.77 2hpa n PRO 4115CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2hpa h LEU 4116N 4.11 0.25 -2.35 2.45 3.38 -1.96 0.40 115.31 121.59 2hpa h LEU 4116Ca -0.46 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2hpa h LEU 4116Cb 1.27 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2hpa h LEU 4116CO 0.75 0.12 0.07 0.77 0.09 0.00 0.00 178.44 180.23 2hpa h SER 4117N 0.43 0.00 0.00 -0.43 4.64 -1.99 -0.57 113.55 115.64 2hpa h SER 4117Ca 0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 2hpa h SER 4117Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2hpa h SER 4117CO -0.37 0.00 -0.19 -0.62 -0.87 0.00 0.00 176.83 174.78 2hpa n GLU 4118N -2.80 0.96 -2.68 4.77 1.02 0.11 -5.02 120.64 117.01 2hpa n GLU 4118Ca -0.02 -2.24 -0.43 0.00 -0.02 0.00 0.00 57.16 54.45 2hpa n GLU 4118Cb 0.12 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 2hpa n GLU 4118CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2hpa s ASP 4119N -2.43 6.53 -0.64 1.62 -1.08 0.35 -4.76 116.67 116.25 2hpa s ASP 4119Ca 0.25 0.21 0.03 0.00 -0.52 0.00 0.00 52.55 52.51 2hpa s ASP 4119Cb 0.22 -2.51 0.37 0.00 -1.46 0.00 0.00 42.92 39.54 2hpa s ASP 4119CO 0.01 -1.25 1.36 1.67 0.52 0.00 0.00 175.17 177.48 2hpa n GLN 4120N 7.76 3.53 0.16 4.34 -0.06 -1.26 -4.49 117.38 127.36 2hpa n GLN 4120Ca 0.09 -4.42 0.00 0.00 -2.00 0.00 0.00 57.00 50.66 2hpa n GLN 4120Cb 0.49 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.38 2hpa n GLN 4120CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2hpa n LEU 4121N -0.37 -2.87 -0.11 1.69 7.94 -1.26 -4.95 117.00 117.06 2hpa n LEU 4121Ca 0.41 0.71 -0.16 0.00 -1.11 0.00 0.00 56.01 55.86 2hpa n LEU 4121Cb 0.44 2.80 -0.13 0.00 0.53 0.00 0.00 43.42 47.07 2hpa n LEU 4121CO 0.40 0.15 -1.25 0.18 -1.11 0.00 0.00 177.39 175.76 2hpa n LEU 4122N -3.21 2.09 -3.31 -1.96 4.77 -1.26 -4.53 117.00 109.59 2hpa n LEU 4122Ca 0.00 -0.07 -0.31 0.00 -0.03 0.00 0.00 56.01 55.60 2hpa n LEU 4122Cb 0.00 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 2hpa n LEU 4122CO 0.00 0.80 2.65 0.00 -1.33 0.00 0.00 177.39 179.51 2hpa n TYR 4123N -3.12 1.89 -2.33 -1.77 9.36 -1.26 -4.58 117.16 115.35 2hpa n TYR 4123Ca -0.41 -2.33 -0.32 0.00 3.32 0.00 0.00 57.90 58.16 2hpa n TYR 4123Cb 1.04 -1.97 -0.03 0.00 -0.63 0.00 0.00 39.34 37.75 2hpa n TYR 4123CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2hpa s LEU 4124N 0.42 3.57 0.24 2.98 1.02 -1.26 -4.24 118.68 121.40 2hpa s LEU 4124Ca 0.51 1.51 -0.23 0.00 0.02 0.00 0.00 54.13 55.94 2hpa s LEU 4124Cb 0.13 -4.47 -0.09 0.00 0.02 0.00 0.00 46.19 41.79 2hpa s LEU 4124CO -0.03 -0.63 0.80 -2.16 0.02 0.00 0.00 176.35 174.36 2hpa s PRO 4125N -4.26 4.43 -0.00 1.29 0.04 -1.26 -4.50 135.00 130.74 2hpa s PRO 4125Ca 0.58 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 2hpa s PRO 4125Cb -0.10 -2.96 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 2hpa s PRO 4125CO 0.35 0.41 1.61 -0.06 0.04 0.00 0.00 177.00 179.35 2hpa s PHE 4126N -1.45 2.29 -0.82 0.56 0.08 -1.26 -4.92 117.98 112.46 2hpa s PHE 4126Ca 0.43 0.35 0.23 0.00 0.12 0.00 0.00 56.93 58.05 2hpa s PHE 4126Cb -0.19 -3.89 0.03 0.00 -0.57 0.00 0.00 43.02 38.41 2hpa s PHE 4126CO 0.23 -3.61 1.04 0.54 -0.10 0.00 0.00 175.22 173.33 2hpa n ARG 4127N 6.29 0.13 -0.81 0.44 5.12 -1.26 -4.36 116.66 122.21 2hpa n ARG 4127Ca 0.16 -0.01 -0.16 0.00 -1.93 0.00 0.00 57.85 55.91 2hpa n ARG 4127Cb 0.42 -1.53 0.12 0.00 -1.16 0.00 0.00 32.46 30.31 2hpa n ARG 4127CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2hpa n ASN 4128N -1.69 3.51 -4.08 0.55 6.94 -1.26 -4.78 115.26 114.44 2hpa n ASN 4128Ca 0.03 -3.06 -0.34 0.00 -0.02 0.00 0.00 54.58 51.20 2hpa n ASN 4128Cb 0.38 -0.72 -0.13 0.00 -2.36 0.00 0.00 39.78 36.94 2hpa n ASN 4128CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2hpa h PRO 4130N 7.85 0.39 -0.09 0.00 0.11 -1.85 -1.84 132.00 136.56 2hpa h PRO 4130Ca -0.11 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 2hpa h PRO 4130Cb 1.04 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2hpa h PRO 4130CO 0.59 0.25 -0.11 -0.09 -0.21 0.00 0.00 178.00 178.43 2hpa h ARG 4131N 0.40 0.13 0.06 1.05 9.65 -1.15 0.14 114.38 124.66 2hpa h ARG 4131Ca 0.29 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.15 2hpa h ARG 4131Cb 0.35 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2hpa h ARG 4131CO -0.29 0.25 -0.03 0.35 2.80 0.00 0.00 179.97 183.05 2hpa h PHE 4132N 0.13 -0.07 -0.17 2.20 3.57 -1.63 0.49 116.94 121.45 2hpa h PHE 4132Ca 0.03 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2hpa h PHE 4132Cb 0.28 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2hpa h PHE 4132CO 0.00 0.41 0.15 1.96 -2.23 0.00 0.00 178.31 178.60 2hpa h GLN 4133N -0.60 0.00 0.05 1.11 1.08 -1.00 0.42 115.11 116.17 2hpa h GLN 4133Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2hpa h GLN 4133Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2hpa h GLN 4133CO 0.01 0.00 -0.02 1.49 -0.95 0.00 0.00 178.83 179.36 2hpa h GLU 4134N 0.00 -0.06 -0.93 1.46 4.81 -0.29 -2.61 114.58 116.95 2hpa h GLU 4134Ca 0.08 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.47 2hpa h GLU 4134Cb 0.37 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.69 2hpa h GLU 4134CO -0.00 0.46 0.59 -0.07 -0.73 0.00 0.00 179.01 179.26 2hpa h LEU 4135N -0.63 0.70 0.06 1.64 3.38 0.41 -1.48 115.31 119.39 2hpa h LEU 4135Ca -0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2hpa h LEU 4135Cb 0.55 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2hpa h LEU 4135CO 0.01 0.34 -0.03 -0.33 0.09 0.00 0.00 178.44 178.52 2hpa h GLU 4136N 0.74 -0.07 -0.83 1.13 5.08 -0.57 -0.99 114.58 119.06 2hpa h GLU 4136Ca 0.48 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.96 2hpa h GLU 4136Cb 0.75 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 2hpa h GLU 4136CO -0.24 0.08 0.54 0.77 -1.00 0.00 0.00 179.01 179.16 2hpa h SER 4137N -0.21 0.65 0.06 1.42 0.02 -0.91 -0.57 113.55 114.01 2hpa h SER 4137Ca -0.01 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2hpa h SER 4137Cb 0.18 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2hpa h SER 4137CO 0.01 0.37 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.71 2hpa h GLU 4138N 0.71 -0.07 -0.64 3.45 5.08 -1.00 -3.13 114.58 118.99 2hpa h GLU 4138Ca 0.40 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.90 2hpa h GLU 4138Cb 0.55 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.71 2hpa h GLU 4138CO -0.16 0.29 0.01 1.15 -1.00 0.00 0.00 179.01 179.30 2hpa h THR 4139N -0.45 0.47 -0.92 1.13 2.02 -0.43 0.34 112.91 115.08 2hpa h THR 4139Ca -0.01 -0.04 0.13 0.00 0.77 0.00 0.00 66.41 67.26 2hpa h THR 4139Cb 0.40 0.34 -0.09 0.00 -1.74 0.00 0.00 68.15 67.06 2hpa h THR 4139CO 0.01 0.02 0.54 -0.07 0.37 0.00 0.00 175.52 176.39 2hpa h LEU 4140N 0.12 0.75 -0.01 2.58 -0.00 -1.17 -0.47 115.31 117.11 2hpa h LEU 4140Ca 0.34 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.28 2hpa h LEU 4140Cb 0.55 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2hpa h LEU 4140CO -0.54 0.38 -0.13 0.29 -0.00 0.00 0.00 178.44 178.43 2hpa n LYS 4141N -4.73 0.05 -2.22 1.13 5.02 0.95 -4.58 118.16 113.80 2hpa n LYS 4141Ca 0.17 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 2hpa n LYS 4141Cb 0.37 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 2hpa n LYS 4141CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2hpa s SER 4142N -2.96 6.91 0.17 4.39 1.04 0.21 -4.90 113.70 118.57 2hpa s SER 4142Ca 0.15 2.56 -0.12 0.00 0.48 0.00 0.00 55.95 59.01 2hpa s SER 4142Cb 0.19 -2.64 0.08 0.00 0.10 0.00 0.00 66.02 63.74 2hpa s SER 4142CO 0.57 -0.43 1.75 1.05 0.98 0.00 0.00 173.24 177.16 2hpa h GLU 4143N 3.64 0.86 -0.53 4.02 4.11 -1.89 0.04 114.58 124.83 2hpa h GLU 4143Ca -0.48 -0.13 0.10 0.00 0.07 0.00 0.00 59.36 58.92 2hpa h GLU 4143Cb 1.22 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 2hpa h GLU 4143CO 0.67 0.70 0.08 1.49 0.07 0.00 0.00 179.01 182.02 2hpa h GLU 4144N 0.81 0.20 -0.22 1.06 4.57 -1.91 0.85 114.58 119.94 2hpa h GLU 4144Ca 0.20 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 2hpa h GLU 4144Cb 0.13 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2hpa h GLU 4144CO -0.02 0.13 0.01 0.35 -1.18 0.00 0.00 179.01 178.30 2hpa h PHE 4145N 0.21 0.42 -0.22 0.92 3.57 -1.72 -2.60 116.94 117.52 2hpa h PHE 4145Ca 0.27 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2hpa h PHE 4145Cb 0.39 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2hpa h PHE 4145CO -0.26 0.56 0.08 1.96 -2.23 0.00 0.00 178.31 178.42 2hpa h GLN 4146N 0.16 0.30 -0.42 1.11 1.08 0.34 -0.46 115.11 117.23 2hpa h GLN 4146Ca 0.06 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 2hpa h GLN 4146Cb 0.39 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 2hpa h GLN 4146CO 0.01 0.26 0.09 -0.22 -0.95 0.00 0.00 178.83 178.02 2hpa h LYS 4147N 0.30 0.68 -0.41 1.46 3.11 0.88 0.16 116.57 122.75 2hpa h LYS 4147Ca 0.08 -0.17 -0.09 0.00 -2.81 0.00 0.00 60.65 57.66 2hpa h LYS 4147Cb 0.08 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 2hpa h LYS 4147CO -0.01 0.70 -0.11 0.00 -2.81 0.00 0.00 179.45 177.23 2hpa h ARG 4148N 0.54 0.80 0.00 1.90 3.08 -0.96 -3.15 114.38 116.58 2hpa h ARG 4148Ca 0.13 -0.31 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 2hpa h ARG 4148Cb 0.33 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2hpa h ARG 4148CO 0.00 0.93 -0.63 1.25 -1.07 0.00 0.00 179.97 180.45 2hpa h LEU 4149N 0.62 0.00 -0.67 3.04 5.85 -0.92 -3.38 115.31 119.85 2hpa h LEU 4149Ca 0.10 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.91 2hpa h LEU 4149Cb 0.64 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.56 2hpa h LEU 4149CO 0.04 0.63 -0.50 -0.74 -0.34 0.00 0.00 178.44 177.53 2hpa h HIS 4150N 0.00 -1.53 -0.01 1.25 2.76 -0.63 -1.63 115.15 115.37 2hpa h HIS 4150Ca -0.01 0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2hpa h HIS 4150Cb 1.20 0.76 -0.00 0.00 1.55 0.00 0.00 27.41 30.92 2hpa h HIS 4150CO 0.00 -0.43 0.53 -1.35 -1.30 0.00 0.00 177.93 175.39 2hpa h PRO 4151N -0.20 0.00 -0.00 5.26 0.11 -1.76 -0.35 132.00 135.05 2hpa h PRO 4151Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2hpa h PRO 4151Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2hpa h PRO 4151CO -0.75 0.00 -0.84 0.66 -0.21 0.00 0.00 178.00 176.86 2hpa n TYR 4152N -2.78 0.00 -0.34 0.65 4.02 -0.61 -4.66 117.16 113.43 2hpa n TYR 4152Ca -0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.97 2hpa n TYR 4152Cb 0.57 -0.00 0.19 0.00 -0.02 0.00 0.00 39.34 40.08 2hpa n TYR 4152CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2hpa n LYS 4153N -1.04 -0.08 -0.02 -0.72 4.01 -0.14 -0.61 118.16 119.55 2hpa n LYS 4153Ca 0.06 1.49 -0.13 0.00 -0.51 0.00 0.00 58.31 59.22 2hpa n LYS 4153Cb 0.37 -2.28 -0.09 0.00 -0.51 0.00 0.00 35.03 32.53 2hpa n LYS 4153CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2hpa h ASP 4154N 0.00 0.09 -0.13 4.39 3.58 -1.83 -2.37 116.42 120.16 2hpa h ASP 4154Ca 0.51 -0.43 0.04 0.00 0.42 0.00 0.00 57.03 57.58 2hpa h ASP 4154Cb 0.90 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.87 2hpa h ASP 4154CO -0.97 0.50 -0.18 0.15 -2.88 0.00 0.00 179.24 175.86 2hpa h PHE 4155N -0.32 -0.47 -0.68 0.28 3.57 -1.52 -1.45 116.94 116.35 2hpa h PHE 4155Ca 0.01 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.67 2hpa h PHE 4155Cb 0.47 0.23 -0.10 0.00 2.79 0.00 0.00 35.95 39.34 2hpa h PHE 4155CO 0.07 -0.26 0.18 0.82 -2.23 0.00 0.00 178.31 176.90 2hpa h ILE 4156N -0.23 0.61 -0.50 1.41 2.04 -0.85 0.32 117.51 120.30 2hpa h ILE 4156Ca 0.10 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2hpa h ILE 4156Cb 0.37 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2hpa h ILE 4156CO -0.26 0.06 0.32 0.00 0.00 0.00 0.00 178.15 178.26 2hpa h ALA 4157N 1.53 0.64 0.09 1.87 0.00 -0.77 -2.16 119.26 120.47 2hpa h ALA 4157Ca 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2hpa h ALA 4157Cb 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2hpa h ALA 4157CO -0.44 0.04 -0.05 1.15 0.00 0.00 0.00 179.25 179.96 2hpa h THR 4158N 0.64 1.08 -0.96 0.00 2.02 -0.13 -3.16 112.91 112.40 2hpa h THR 4158Ca 0.19 -0.68 0.31 0.00 0.77 0.00 0.00 66.41 67.00 2hpa h THR 4158Cb -0.03 1.51 -0.15 0.00 -1.74 0.00 0.00 68.15 67.74 2hpa h THR 4158CO -0.07 0.16 0.42 0.25 0.37 0.00 0.00 175.52 176.66 2hpa h LEU 4159N -0.44 0.25 -1.41 2.58 7.12 -0.03 0.20 115.31 123.58 2hpa h LEU 4159Ca -0.01 0.21 -0.02 0.00 0.13 0.00 0.00 57.88 58.19 2hpa h LEU 4159Cb 0.37 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.70 2hpa h LEU 4159CO 0.02 -0.21 0.20 1.23 -0.13 0.00 0.00 178.44 179.55 2hpa h GLY 4160N 0.22 0.64 1.13 3.75 0.00 -1.37 0.50 103.07 107.94 2hpa h GLY 4160Ca 0.69 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 47.58 2hpa h GLY 4160CO -0.67 0.28 -0.31 0.50 0.00 0.00 0.00 176.54 176.33 2hpa h LYS 4161N 0.60 0.97 0.30 4.80 1.79 -0.71 -1.60 116.57 122.72 2hpa h LYS 4161Ca 0.15 -0.47 -0.01 0.00 -2.18 0.00 0.00 60.65 58.14 2hpa h LYS 4161Cb 0.08 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2hpa h LYS 4161CO -0.02 1.14 -0.14 -0.07 -1.08 0.00 0.00 179.45 179.27 2hpa h LEU 4162N 0.81 -0.34 -1.52 2.94 3.38 -1.00 -3.30 115.31 116.28 2hpa h LEU 4162Ca 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2hpa h LEU 4162Cb 0.91 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2hpa h LEU 4162CO 0.08 0.13 -0.06 0.77 0.09 0.00 0.00 178.44 179.45 2hpa h SER 4163N -0.96 0.21 0.00 -0.43 4.64 -0.13 -3.43 113.55 113.46 2hpa h SER 4163Ca -0.04 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2hpa h SER 4163Cb 0.49 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2hpa h SER 4163CO 0.07 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 2hpa n GLY 4164N -1.06 2.97 3.78 -0.77 0.00 -0.60 -2.03 105.19 107.47 2hpa n GLY 4164Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2hpa n GLY 4164CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2hpa s LEU 4165N 0.00 4.14 -0.09 0.99 2.34 -1.22 -4.92 118.68 119.91 2hpa s LEU 4165Ca 0.00 0.30 -0.03 0.00 0.06 0.00 0.00 54.13 54.46 2hpa s LEU 4165Cb 0.00 -2.02 -0.04 0.00 -0.56 0.00 0.00 46.19 43.57 2hpa s LEU 4165CO 0.00 0.31 0.05 -1.00 -1.06 0.00 0.00 176.35 174.65 2hpa s HIS 4166N -0.45 3.31 0.00 3.48 3.76 -1.26 -4.31 115.29 119.82 2hpa s HIS 4166Ca 0.11 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 2hpa s HIS 4166Cb -0.12 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.74 2hpa s HIS 4166CO 0.02 0.56 0.00 0.41 -0.85 0.00 0.00 174.74 174.88 2hpa n GLY 4167N 2.06 1.70 0.00 -2.22 0.00 -1.26 -4.97 105.19 100.50 2hpa n GLY 4167Ca -0.19 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2hpa n GLY 4167CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2hpa n GLN 4168N 0.00 0.00 -1.82 1.61 7.27 -1.26 -4.62 117.38 118.56 2hpa n GLN 4168Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.67 2hpa n GLN 4168Cb 0.00 -1.28 -0.03 0.00 2.41 0.00 0.00 30.24 31.34 2hpa n GLN 4168CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2hpa s ASP 4169N -1.80 5.24 0.57 1.69 2.15 -1.26 -4.81 116.67 118.44 2hpa s ASP 4169Ca 0.00 1.09 0.27 0.00 0.43 0.00 0.00 52.55 54.34 2hpa s ASP 4169Cb 0.00 -2.52 1.51 0.00 -0.30 0.00 0.00 42.92 41.62 2hpa s ASP 4169CO 0.00 -2.26 2.02 -0.07 -0.17 0.00 0.00 175.17 174.70 2hpa h LEU 4170N 16.31 0.00 -1.15 -1.34 3.38 -1.94 0.50 115.31 131.07 2hpa h LEU 4170Ca -0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 2hpa h LEU 4170Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2hpa h LEU 4170CO 1.10 0.00 -0.35 0.15 0.09 0.00 0.00 178.44 179.43 2hpa h PHE 4171N 0.00 0.00 0.00 1.13 3.04 -1.92 0.98 116.94 120.18 2hpa h PHE 4171Ca 0.16 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 2hpa h PHE 4171Cb 0.79 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.30 2hpa h PHE 4171CO 0.00 0.35 -0.00 0.78 -2.02 0.00 0.00 178.31 177.42 2hpa h GLY 4172N 1.62 -0.01 0.02 2.40 0.00 -0.36 -1.14 103.07 105.60 2hpa h GLY 4172Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.51 2hpa h GLY 4172CO 0.05 -0.00 0.44 -2.22 0.00 0.00 0.00 176.54 174.80 2hpa h ILE 4173N -0.88 0.61 0.00 2.60 1.08 -1.17 0.20 117.51 119.95 2hpa h ILE 4173Ca -0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 2hpa h ILE 4173Cb 0.85 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 2hpa h ILE 4173CO 0.00 0.10 0.00 1.87 -0.69 0.00 0.00 178.15 179.43 2hpa n TRP 4174N -4.94 0.00 0.17 1.37 -0.00 0.33 -1.13 117.44 113.24 2hpa n TRP 4174Ca 0.20 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.74 2hpa n TRP 4174Cb 0.55 -0.36 0.46 0.00 -0.00 0.00 0.00 31.31 31.97 2hpa n TRP 4174CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2hpa h SER 4175N 0.00 0.12 0.26 5.87 4.64 -1.17 -0.78 113.55 122.48 2hpa h SER 4175Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2hpa h SER 4175Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2hpa h SER 4175CO 0.00 0.26 -1.55 0.29 -0.87 0.00 0.00 176.83 174.95 2hpa n LYS 4176N -4.33 0.52 0.00 4.77 5.02 0.71 -4.36 118.16 120.50 2hpa n LYS 4176Ca -0.01 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2hpa n LYS 4176Cb 0.23 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 2hpa n LYS 4176CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2hpa n VAL 4177N -2.21 0.04 0.30 -0.18 3.14 -1.01 -0.67 118.33 117.73 2hpa n VAL 4177Ca -0.01 0.01 -0.15 0.00 -2.96 0.00 0.00 64.34 61.22 2hpa n VAL 4177Cb 0.52 -1.15 -0.08 0.00 -1.06 0.00 0.00 33.84 32.07 2hpa n VAL 4177CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 2hpa h TYR 4178N 0.00 -0.70 -0.30 1.45 3.20 -0.84 -2.72 116.97 117.06 2hpa h TYR 4178Ca 0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 2hpa h TYR 4178Cb 0.62 0.23 -0.08 0.00 1.54 0.00 0.00 36.73 39.04 2hpa h TYR 4178CO 0.00 -0.37 -0.29 0.22 -1.64 0.00 0.00 178.16 176.08 2hpa h ASP 4179N -0.95 -0.96 -0.37 -2.11 3.58 -1.40 0.88 116.42 115.10 2hpa h ASP 4179Ca -0.08 0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.60 2hpa h ASP 4179Cb 0.64 0.44 -0.05 0.00 1.72 0.00 0.00 39.33 42.08 2hpa h ASP 4179CO 0.13 -0.31 0.06 -0.65 -2.88 0.00 0.00 179.24 175.58 2hpa h PRO 4180N -0.28 0.17 -0.34 0.28 0.11 -1.77 0.28 132.00 130.45 2hpa h PRO 4180Ca 0.15 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 2hpa h PRO 4180Cb 0.51 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 2hpa h PRO 4180CO -0.45 0.12 0.19 -0.07 -0.21 0.00 0.00 178.00 177.57 2hpa h LEU 4181N 0.18 0.41 -0.06 2.35 3.38 -1.08 -0.28 115.31 120.21 2hpa h LEU 4181Ca 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2hpa h LEU 4181Cb 0.21 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2hpa h LEU 4181CO -0.24 0.34 0.01 0.22 0.09 0.00 0.00 178.44 178.85 2hpa h TYR 4182N 0.47 0.11 -0.92 1.13 3.20 0.17 -0.74 116.97 120.40 2hpa h TYR 4182Ca 0.12 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.99 2hpa h TYR 4182Cb 0.02 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 2hpa h TYR 4182CO 0.00 0.34 0.61 0.00 -1.64 0.00 0.00 178.16 177.47 2hpa h GLU 4184N 1.24 0.29 -0.60 0.00 5.08 -0.98 -2.11 114.58 117.49 2hpa h GLU 4184Ca 0.34 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2hpa h GLU 4184Cb -0.13 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2hpa h GLU 4184CO -0.08 0.54 0.39 0.66 -1.00 0.00 0.00 179.01 179.53 2hpa h SER 4185N 0.01 0.69 -0.90 1.42 4.64 -0.74 0.16 113.55 118.83 2hpa h SER 4185Ca 0.04 -0.02 0.16 0.00 -0.47 0.00 0.00 61.79 61.49 2hpa h SER 4185Cb 0.42 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 2hpa h SER 4185CO 0.01 0.51 0.58 0.58 -0.87 0.00 0.00 176.83 177.64 2hpa h VAL 4186N 0.81 0.80 -0.85 0.95 2.07 -0.75 0.51 116.25 119.79 2hpa h VAL 4186Ca 0.22 -0.22 -0.46 0.00 0.82 0.00 0.00 66.70 67.06 2hpa h VAL 4186Cb -0.08 0.09 -0.26 0.00 -1.52 0.00 0.00 31.29 29.51 2hpa h VAL 4186CO -0.05 0.12 0.58 1.41 0.02 0.00 0.00 177.57 179.65 2hpa n HIS 4187N -4.57 2.62 -3.53 1.57 8.25 -0.20 -4.88 115.22 114.48 2hpa n HIS 4187Ca 0.18 -1.78 -0.26 0.00 -0.26 0.00 0.00 57.72 55.60 2hpa n HIS 4187Cb 0.51 -0.90 0.02 0.00 1.12 0.00 0.00 29.99 30.74 2hpa n HIS 4187CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2hpa n ASN 4188N -0.85 -4.85 -4.91 0.41 3.02 0.18 -4.97 115.26 103.29 2hpa n ASN 4188Ca 0.51 -0.54 -0.27 0.00 -0.03 0.00 0.00 54.58 54.25 2hpa n ASN 4188Cb 1.38 -3.91 -0.02 0.00 -0.61 0.00 0.00 39.78 36.62 2hpa n ASN 4188CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2hpa s PHE 4189N -3.16 3.51 -0.36 3.10 0.08 0.38 -5.00 117.98 116.53 2hpa s PHE 4189Ca 0.50 0.68 -0.18 0.00 0.12 0.00 0.00 56.93 58.05 2hpa s PHE 4189Cb -0.25 -2.16 -0.00 0.00 -0.57 0.00 0.00 43.02 40.04 2hpa s PHE 4189CO 0.62 -0.00 0.49 0.99 -0.10 0.00 0.00 175.22 177.21 2hpa s THR 4190N -2.36 5.04 0.64 0.64 2.01 -1.26 -4.43 115.64 115.91 2hpa s THR 4190Ca 0.45 0.24 -0.14 0.00 0.31 0.00 0.00 61.69 62.55 2hpa s THR 4190Cb -0.10 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2hpa s THR 4190CO 0.36 -0.22 1.06 -0.76 -0.69 0.00 0.00 174.62 174.37 2hpa s LEU 4191N 2.33 3.35 0.58 4.42 1.02 -1.26 -5.01 118.68 124.10 2hpa s LEU 4191Ca 0.17 1.76 -0.19 0.00 0.02 0.00 0.00 54.13 55.89 2hpa s LEU 4191Cb -0.16 -4.52 -0.04 0.00 0.02 0.00 0.00 46.19 41.49 2hpa s LEU 4191CO 0.13 -1.32 1.20 -2.16 0.02 0.00 0.00 176.35 174.21 2hpa s PRO 4192N -4.44 3.09 0.32 1.29 0.04 -1.26 -4.86 135.00 129.17 2hpa s PRO 4192Ca 0.62 1.80 0.10 0.00 0.04 0.00 0.00 61.00 63.55 2hpa s PRO 4192Cb -0.16 -1.98 0.96 0.00 0.04 0.00 0.00 34.50 33.37 2hpa s PRO 4192CO 0.44 -1.10 1.47 -1.13 0.04 0.00 0.00 177.00 176.72 2hpa n SER 4193N -1.46 0.08 0.27 6.66 3.41 -1.26 0.56 113.62 121.87 2hpa n SER 4193Ca 0.13 1.58 0.15 0.00 -0.26 0.00 0.00 58.87 60.47 2hpa n SER 4193Cb 0.50 -0.66 0.66 0.00 -0.26 0.00 0.00 64.21 64.45 2hpa n SER 4193CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2hpa h TRP 4194N 0.00 0.00 0.00 7.33 5.08 -2.02 -3.35 115.95 122.99 2hpa h TRP 4194Ca 0.67 0.00 -0.64 0.00 1.08 0.00 0.00 58.89 60.00 2hpa h TRP 4194Cb 1.58 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.75 2hpa h TRP 4194CO -0.27 0.08 3.07 0.00 -1.28 0.00 0.00 178.44 180.03 2hpa n ALA 4195N -2.15 5.46 -2.30 0.11 0.00 0.19 -4.75 120.51 117.08 2hpa n ALA 4195Ca -0.00 -3.39 -0.27 0.00 0.00 0.00 0.00 53.44 49.78 2hpa n ALA 4195Cb 0.32 -3.44 -0.00 0.00 0.00 0.00 0.00 19.45 16.33 2hpa n ALA 4195CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2hpa s THR 4196N 3.35 4.92 0.35 0.00 -4.23 -1.26 -4.81 115.64 113.96 2hpa s THR 4196Ca 0.54 0.17 0.16 0.00 -1.18 0.00 0.00 61.69 61.38 2hpa s THR 4196Cb 0.15 -3.86 0.34 0.00 1.34 0.00 0.00 72.50 70.47 2hpa s THR 4196CO -0.03 -0.80 1.63 -0.08 -0.54 0.00 0.00 174.62 174.80 2hpa h GLU 4197N 0.35 0.20 0.17 3.99 4.22 -1.96 0.36 114.58 121.90 2hpa h GLU 4197Ca -0.47 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 58.95 2hpa h GLU 4197Cb 1.20 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2hpa h GLU 4197CO 0.62 0.13 -0.08 0.22 -2.18 0.00 0.00 179.01 177.72 2hpa h ASP 4198N 0.20 -0.19 -0.49 1.04 1.82 -1.95 -1.05 116.42 115.79 2hpa h ASP 4198Ca 0.76 -0.17 0.10 0.00 -0.39 0.00 0.00 57.03 57.33 2hpa h ASP 4198Cb 1.84 0.05 -0.10 0.00 0.68 0.00 0.00 39.33 41.80 2hpa h ASP 4198CO -0.67 0.06 -0.16 0.74 -1.61 0.00 0.00 179.24 177.60 2hpa h THR 4199N -0.45 0.45 -0.61 2.25 2.02 -0.68 0.36 112.91 116.24 2hpa h THR 4199Ca -0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.19 2hpa h THR 4199Cb 0.35 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2hpa h THR 4199CO 0.04 0.00 0.36 0.24 0.37 0.00 0.00 175.52 176.53 2hpa h MET 4200N -0.04 0.67 -0.73 6.66 2.86 -0.97 0.81 114.93 124.19 2hpa h MET 4200Ca 0.24 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.79 2hpa h MET 4200Cb 0.40 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 2hpa h MET 4200CO -0.53 0.44 0.26 1.15 1.06 0.00 0.00 176.91 179.30 2hpa h THR 4201N 0.69 1.25 -0.34 2.22 2.02 0.51 0.21 112.91 119.47 2hpa h THR 4201Ca 0.25 -0.82 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 2hpa h THR 4201Cb 0.07 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2hpa h THR 4201CO -0.13 0.33 -0.08 0.11 0.37 0.00 0.00 175.52 176.12 2hpa h LYS 4202N 1.06 0.66 -0.77 6.66 1.79 0.46 -1.95 116.57 124.47 2hpa h LYS 4202Ca 0.24 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 2hpa h LYS 4202Cb 0.24 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 2hpa h LYS 4202CO -0.02 0.82 0.37 -0.07 -1.08 0.00 0.00 179.45 179.48 2hpa h LEU 4203N 0.44 1.00 -0.35 2.94 3.38 0.11 -1.90 115.31 120.93 2hpa h LEU 4203Ca 0.09 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2hpa h LEU 4203Cb 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2hpa h LEU 4203CO 0.03 0.84 -0.09 -0.09 0.09 0.00 0.00 178.44 179.22 2hpa h ARG 4204N 1.10 0.68 -0.78 1.13 2.43 -0.50 -1.00 114.38 117.45 2hpa h ARG 4204Ca 0.27 -0.27 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2hpa h ARG 4204Cb 0.11 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 2hpa h ARG 4204CO -0.03 0.85 0.45 0.93 -1.51 0.00 0.00 179.97 180.65 2hpa h GLU 4205N 0.47 0.76 -0.48 0.20 5.08 -1.02 0.25 114.58 119.84 2hpa h GLU 4205Ca 0.09 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2hpa h GLU 4205Cb 0.60 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2hpa h GLU 4205CO 0.04 0.50 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.39 2hpa h LEU 4206N 0.78 0.86 -0.96 1.33 3.38 -1.06 0.22 115.31 119.86 2hpa h LEU 4206Ca 0.36 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2hpa h LEU 4206Cb 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2hpa h LEU 4206CO -0.21 0.97 -0.07 0.28 0.09 0.00 0.00 178.44 179.50 2hpa h SER 4207N 0.78 0.65 0.42 -0.43 0.02 0.35 0.42 113.55 115.76 2hpa h SER 4207Ca 0.13 -0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 2hpa h SER 4207Cb 0.60 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2hpa h SER 4207CO 0.04 0.77 -0.71 -0.33 -1.14 0.00 0.00 176.83 175.46 2hpa h GLU 4208N 0.62 0.24 -0.27 3.45 5.08 -0.02 -2.28 114.58 121.40 2hpa h GLU 4208Ca 0.12 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 2hpa h GLU 4208Cb 0.50 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2hpa h GLU 4208CO 0.03 0.85 -0.26 1.25 -1.00 0.00 0.00 179.01 179.88 2hpa h LEU 4209N 0.16 0.70 0.05 1.33 5.85 0.12 -2.55 115.31 120.98 2hpa h LEU 4209Ca -0.02 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.26 2hpa h LEU 4209Cb 1.26 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 2hpa h LEU 4209CO 0.11 1.02 -0.36 -1.28 -0.34 0.00 0.00 178.44 177.59 2hpa h SER 4210N 0.39 -1.06 -0.32 1.25 0.87 -0.04 0.34 113.55 114.98 2hpa h SER 4210Ca 0.05 0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 2hpa h SER 4210Cb 0.82 0.41 -0.05 0.00 -0.44 0.00 0.00 62.40 63.14 2hpa h SER 4210CO 0.06 -0.43 -0.01 0.25 -0.53 0.00 0.00 176.83 176.17 2hpa h LEU 4211N -0.55 -0.16 -0.32 2.23 5.85 -1.43 0.13 115.31 121.06 2hpa h LEU 4211Ca 0.04 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2hpa h LEU 4211Cb 0.61 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2hpa h LEU 4211CO -0.25 -0.04 0.14 -0.07 -0.34 0.00 0.00 178.44 177.87 2hpa h LEU 4212N 0.07 0.18 -1.95 2.25 3.38 -0.94 0.12 115.31 118.42 2hpa h LEU 4212Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2hpa h LEU 4212Cb 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2hpa h LEU 4212CO -0.28 0.14 0.00 0.77 0.09 0.00 0.00 178.44 179.17 2hpa h SER 4213N 0.29 0.00 0.07 -0.43 4.64 0.51 0.44 113.55 119.08 2hpa h SER 4213Ca 0.14 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2hpa h SER 4213Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2hpa h SER 4213CO -0.12 0.00 -0.03 0.25 -0.87 0.00 0.00 176.83 176.05 2hpa h LEU 4214N 0.00 -0.08 -1.79 5.97 6.46 0.20 -3.36 115.31 122.71 2hpa h LEU 4214Ca 0.00 -0.45 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2hpa h LEU 4214Cb 0.25 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2hpa h LEU 4214CO 0.00 0.44 0.00 -1.22 -0.62 0.00 0.00 178.44 177.04 2hpa n TYR 4215N -4.89 0.07 -0.88 1.25 4.01 -0.95 -4.95 117.16 110.81 2hpa n TYR 4215Ca -0.08 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2hpa n TYR 4215Cb 0.27 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 2hpa n TYR 4215CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hpa n GLY 4216N 1.02 3.42 2.22 2.72 0.00 0.15 -4.61 105.19 110.10 2hpa n GLY 4216Ca 0.11 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 2hpa n GLY 4216CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2hpa n ILE 4217N 0.00 0.00 0.00 -0.61 -5.35 -1.26 -4.40 119.36 107.74 2hpa n ILE 4217Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2hpa n ILE 4217Cb 0.00 -0.95 0.00 0.00 -1.74 0.00 0.00 39.64 36.95 2hpa n ILE 4217CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 2hpa n HIS 4218N -1.57 0.00 -3.52 4.28 -0.00 -1.26 -4.54 115.22 108.62 2hpa n HIS 4218Ca -0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.39 2hpa n HIS 4218Cb 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.38 2hpa n HIS 4218CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hpa n LYS 4219N 0.00 -4.87 0.02 1.57 5.02 -1.26 -4.88 118.16 113.76 2hpa n LYS 4219Ca 0.00 0.65 -0.12 0.00 -2.02 0.00 0.00 58.31 56.81 2hpa n LYS 4219Cb 0.00 -5.49 -0.06 0.00 -0.02 0.00 0.00 35.03 29.47 2hpa n LYS 4219CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2hpa h GLN 4220N -1.62 -0.48 -0.84 1.97 4.15 -1.85 -2.49 115.11 113.95 2hpa h GLN 4220Ca -0.52 0.03 0.19 0.00 0.77 0.00 0.00 58.65 59.13 2hpa h GLN 4220Cb 1.35 0.11 -0.15 0.00 0.21 0.00 0.00 27.48 28.99 2hpa h GLN 4220CO 0.60 -0.32 -0.05 0.87 -1.93 0.00 0.00 178.83 178.00 2hpa h LYS 4221N -0.50 0.05 0.16 1.69 1.79 -1.90 0.26 116.57 118.13 2hpa h LYS 4221Ca 0.07 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2hpa h LYS 4221Cb 0.62 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2hpa h LYS 4221CO -0.35 0.03 -0.08 1.49 -1.08 0.00 0.00 179.45 179.46 2hpa h GLU 4222N 0.05 -0.21 -0.66 3.15 4.81 -1.82 -1.44 114.58 118.46 2hpa h GLU 4222Ca 0.45 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.81 2hpa h GLU 4222Cb 0.81 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 2hpa h GLU 4222CO -0.78 -0.05 0.44 0.87 -0.73 0.00 0.00 179.01 178.76 2hpa h LYS 4223N -0.33 0.41 -0.37 1.92 1.57 -0.69 0.02 116.57 119.10 2hpa h LYS 4223Ca -0.02 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2hpa h LYS 4223Cb 0.26 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2hpa h LYS 4223CO 0.04 0.27 -0.08 0.77 -0.57 0.00 0.00 179.45 179.87 2hpa h SER 4224N 0.42 0.71 0.10 0.86 0.02 0.12 0.35 113.55 116.14 2hpa h SER 4224Ca 0.31 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2hpa h SER 4224Cb 0.65 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 2hpa h SER 4224CO -0.09 0.91 -0.04 0.03 -1.14 0.00 0.00 176.83 176.49 2hpa h ARG 4225N 0.51 0.00 0.00 3.45 3.08 0.03 0.62 114.38 122.07 2hpa h ARG 4225Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2hpa h ARG 4225Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2hpa h ARG 4225CO 0.04 0.04 -0.82 1.28 -1.07 0.00 0.00 179.97 179.44 2hpa n LEU 4226N -3.89 0.64 0.00 3.04 4.77 -0.95 -3.88 117.00 116.73 2hpa n LEU 4226Ca -0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2hpa n LEU 4226Cb 0.13 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2hpa n LEU 4226CO 0.29 0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 2hpa n GLN 4227N -1.77 0.00 -0.32 3.23 1.13 0.08 -4.75 117.38 114.97 2hpa n GLN 4227Ca 0.03 0.00 0.28 0.00 -1.94 0.00 0.00 57.00 55.37 2hpa n GLN 4227Cb 0.39 0.00 0.52 0.00 0.11 0.00 0.00 30.24 31.26 2hpa n GLN 4227CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2hpa h GLY 4228N 0.00 2.07 -0.05 1.08 0.00 -1.66 0.00 103.07 104.51 2hpa h GLY 4228Ca 0.00 -0.10 0.28 0.00 0.00 0.00 0.00 47.33 47.51 2hpa h GLY 4228CO 0.00 -0.72 0.71 -1.33 0.00 0.00 0.00 176.54 175.20 2hpa h GLY 4229N 0.04 0.38 1.07 4.60 0.00 -1.06 0.28 103.07 108.38 2hpa h GLY 4229Ca 0.79 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 48.01 2hpa h GLY 4229CO -0.78 -0.03 0.33 -2.08 0.00 0.00 0.00 176.54 173.97 2hpa h VAL 4230N 0.14 1.26 0.12 4.60 2.07 -1.20 0.49 116.25 123.73 2hpa h VAL 4230Ca 0.51 -0.80 -0.26 0.00 0.82 0.00 0.00 66.70 66.97 2hpa h VAL 4230Cb 1.78 0.30 0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2hpa h VAL 4230CO -0.09 0.33 -1.08 0.25 0.02 0.00 0.00 177.57 177.00 2hpa h LEU 4231N 1.15 0.74 -0.66 2.57 6.46 -0.70 -2.56 115.31 122.32 2hpa h LEU 4231Ca 0.27 -0.85 0.09 0.00 -0.12 0.00 0.00 57.88 57.27 2hpa h LEU 4231Cb 0.20 -0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 39.82 2hpa h LEU 4231CO -0.02 1.52 0.30 0.58 -0.62 0.00 0.00 178.44 180.19 2hpa h VAL 4232N 0.07 0.81 -0.51 1.05 2.07 -0.80 0.69 116.25 119.63 2hpa h VAL 4232Ca -0.17 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2hpa h VAL 4232Cb 1.79 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2hpa h VAL 4232CO 0.21 0.09 -0.01 -1.13 0.02 0.00 0.00 177.57 176.75 2hpa h ASN 4233N 0.51 0.89 0.25 0.57 -0.00 -0.94 -1.01 115.58 115.86 2hpa h ASN 4233Ca 0.33 -0.31 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 2hpa h ASN 4233Cb 0.37 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.43 2hpa h ASN 4233CO -0.28 0.98 -0.28 -0.08 -0.00 0.00 0.00 177.43 177.77 2hpa h GLU 4234N 0.77 -0.56 -0.74 6.67 4.57 -0.84 -1.33 114.58 123.12 2hpa h GLU 4234Ca 0.14 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 2hpa h GLU 4234Cb 0.53 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 2hpa h GLU 4234CO 0.03 -0.37 0.48 0.82 -1.18 0.00 0.00 179.01 178.79 2hpa h ILE 4235N -0.58 1.15 -0.46 2.32 2.04 -0.83 -2.09 117.51 119.06 2hpa h ILE 4235Ca -0.00 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.54 2hpa h ILE 4235Cb 0.55 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2hpa h ILE 4235CO -0.08 0.18 0.30 0.25 0.00 0.00 0.00 178.15 178.80 2hpa h LEU 4236N 0.96 0.51 -0.02 1.44 6.46 -1.01 -1.87 115.31 121.78 2hpa h LEU 4236Ca 0.29 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2hpa h LEU 4236Cb -0.05 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2hpa h LEU 4236CO -0.09 0.37 -0.00 0.78 -0.62 0.00 0.00 178.44 178.88 2hpa h ASN 4237N 0.61 -0.02 -0.67 1.25 -0.26 -0.82 0.82 115.58 116.50 2hpa h ASN 4237Ca 0.17 0.01 0.13 0.00 -0.56 0.00 0.00 56.30 56.05 2hpa h ASN 4237Cb -0.05 0.01 -0.09 0.00 -1.06 0.00 0.00 38.32 37.13 2hpa h ASN 4237CO -0.05 -0.01 0.18 0.45 -1.06 0.00 0.00 177.43 176.94 2hpa h HIS 4238N 0.00 0.29 -0.17 1.19 3.86 -1.11 0.10 115.15 119.32 2hpa h HIS 4238Ca 0.01 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2hpa h HIS 4238Cb 0.01 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2hpa h HIS 4238CO -0.09 -0.02 0.11 0.52 0.86 0.00 0.00 177.93 179.31 2hpa h MET 4239N 0.31 0.23 -0.37 2.45 2.86 -0.49 0.19 114.93 120.11 2hpa h MET 4239Ca 0.36 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.02 2hpa h MET 4239Cb 0.55 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 2hpa h MET 4239CO -0.43 0.17 0.14 0.87 1.06 0.00 0.00 176.91 178.72 2hpa h LYS 4240N 0.22 0.29 -0.36 1.72 1.79 0.44 -0.51 116.57 120.15 2hpa h LYS 4240Ca 0.06 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 2hpa h LYS 4240Cb -0.01 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 2hpa h LYS 4240CO -0.01 0.19 -0.03 0.00 -1.08 0.00 0.00 179.45 178.52 2hpa h ARG 4241N 0.29 0.58 0.00 3.15 3.08 -0.49 0.18 114.38 121.18 2hpa h ARG 4241Ca 0.17 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2hpa h ARG 4241Cb 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2hpa h ARG 4241CO -0.16 0.63 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 2hpa h ALA 4242N 1.43 1.00 0.00 0.04 0.00 0.91 0.59 119.26 123.23 2hpa h ALA 4242Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2hpa h ALA 4242Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2hpa h ALA 4242CO 0.02 0.00 -1.40 2.41 0.00 0.00 0.00 179.25 180.28 2hpa n THR 4243N -2.63 0.86 -0.05 0.00 -1.04 0.56 -4.34 114.28 107.63 2hpa n THR 4243Ca -0.01 -0.63 -0.01 0.00 -2.04 0.00 0.00 64.05 61.36 2hpa n THR 4243Cb 0.10 -0.49 -0.14 0.00 -1.82 0.00 0.00 70.33 67.98 2hpa n THR 4243CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hpa n GLN 4244N -2.73 0.97 -4.04 -2.82 6.02 -0.00 -4.90 117.38 109.87 2hpa n GLN 4244Ca -0.07 -0.07 -0.32 0.00 -0.01 0.00 0.00 57.00 56.53 2hpa n GLN 4244Cb 0.72 -1.43 -0.15 0.00 1.02 0.00 0.00 30.24 30.40 2hpa n GLN 4244CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2hpa s ILE 4245N -2.76 1.95 0.78 5.09 -5.25 0.19 -5.09 121.20 116.10 2hpa s ILE 4245Ca -0.08 -1.34 -0.11 0.00 -0.99 0.00 0.00 60.65 58.14 2hpa s ILE 4245Cb 0.08 -2.02 0.06 0.00 2.95 0.00 0.00 42.46 43.52 2hpa s ILE 4245CO 0.71 0.09 1.09 -2.16 -1.79 0.00 0.00 174.94 172.88 2hpa s PRO 4246N 1.24 2.22 -1.08 0.37 0.04 -1.26 -3.15 135.00 133.38 2hpa s PRO 4246Ca -0.05 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2hpa s PRO 4246Cb -0.18 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2hpa s PRO 4246CO -0.07 -1.66 0.00 0.43 0.04 0.00 0.00 177.00 175.74 2hpa n SER 4247N -3.53 -4.09 -4.21 6.66 7.64 -1.26 -5.02 113.62 109.82 2hpa n SER 4247Ca 0.09 0.19 -0.28 0.00 1.01 0.00 0.00 58.87 59.88 2hpa n SER 4247Cb 0.53 -2.74 0.17 0.00 -1.01 0.00 0.00 64.21 61.16 2hpa n SER 4247CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2hpa s TYR 4248N -2.43 1.50 0.36 1.43 5.04 -1.19 -4.98 117.35 117.07 2hpa s TYR 4248Ca 0.00 0.15 -0.27 0.00 -2.44 0.00 0.00 57.07 54.51 2hpa s TYR 4248Cb 0.00 -3.90 -0.10 0.00 0.35 0.00 0.00 41.96 38.32 2hpa s TYR 4248CO 0.00 -2.50 1.29 0.15 -1.34 0.00 0.00 175.55 173.15 2hpa s LYS 4249N -5.74 4.21 -0.08 4.97 -0.14 -1.26 -4.77 119.74 116.93 2hpa s LYS 4249Ca 0.73 2.15 -0.16 0.00 -1.36 0.00 0.00 55.97 57.33 2hpa s LYS 4249Cb -0.04 -2.93 -0.29 0.00 -1.68 0.00 0.00 37.83 32.89 2hpa s LYS 4249CO 0.51 -0.29 0.63 0.87 -0.76 0.00 0.00 175.35 176.31 2hpa h LYS 4250N 3.09 0.29 -4.38 1.68 1.57 -1.25 -3.45 116.57 114.11 2hpa h LYS 4250Ca -0.49 -0.49 -0.39 0.00 -1.87 0.00 0.00 60.65 57.41 2hpa h LYS 4250Cb 1.23 0.18 -0.31 0.00 0.08 0.00 0.00 32.23 33.42 2hpa h LYS 4250CO 0.64 1.24 -0.77 -1.17 -0.57 0.00 0.00 179.45 178.82 2hpa s LEU 4251N -7.54 1.76 -0.12 2.94 2.96 -0.89 -0.37 118.68 117.42 2hpa s LEU 4251Ca -0.18 -0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2hpa s LEU 4251Cb 0.04 -0.43 0.02 0.00 0.50 0.00 0.00 46.19 46.33 2hpa s LEU 4251CO 0.80 0.04 -0.09 -0.63 -1.32 0.00 0.00 176.35 175.14 2hpa s ILE 4252N 0.23 1.15 -0.18 6.68 1.01 -0.79 -2.28 121.20 127.03 2hpa s ILE 4252Ca -0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 2hpa s ILE 4252Cb -0.08 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 2hpa s ILE 4252CO 0.00 0.39 0.06 -0.04 0.00 0.00 0.00 174.94 175.35 2hpa s MET 4253N 1.58 3.97 -0.37 2.79 -1.94 0.59 -2.07 119.30 123.84 2hpa s MET 4253Ca 0.03 -0.35 -0.03 0.00 -1.71 0.00 0.00 55.69 53.64 2hpa s MET 4253Cb -0.13 -3.22 0.08 0.00 2.01 0.00 0.00 34.83 33.58 2hpa s MET 4253CO -0.08 0.26 0.13 0.71 -0.01 0.00 0.00 175.02 176.03 2hpa s TYR 4254N 0.40 3.46 -0.31 -0.03 2.02 0.13 0.52 117.35 123.55 2hpa s TYR 4254Ca 0.03 -2.15 -0.25 0.00 -0.37 0.00 0.00 57.07 54.33 2hpa s TYR 4254Cb -0.12 -2.79 0.01 0.00 -0.40 0.00 0.00 41.96 38.65 2hpa s TYR 4254CO 0.00 -0.90 0.89 0.45 -1.57 0.00 0.00 175.55 174.43 2hpa s SER 4255N 1.60 6.77 0.00 2.29 0.15 0.54 -0.64 113.70 124.40 2hpa s SER 4255Ca 0.03 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2hpa s SER 4255Cb -0.21 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2hpa s SER 4255CO -0.03 -0.71 0.00 0.00 1.20 0.00 0.00 173.24 173.71 2hpa n ALA 4256N 6.44 0.00 -2.54 5.45 0.00 0.94 -2.90 120.51 127.90 2hpa n ALA 4256Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.24 2hpa n ALA 4256Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 2hpa n ALA 4256CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2hpa s HIS 4257N 0.67 2.42 0.41 0.00 3.76 -1.26 -1.72 115.29 119.57 2hpa s HIS 4257Ca 0.00 -0.68 0.29 0.00 -0.15 0.00 0.00 55.06 54.52 2hpa s HIS 4257Cb 0.00 -1.85 1.52 0.00 1.11 0.00 0.00 32.58 33.36 2hpa s HIS 4257CO 0.00 0.25 2.09 0.38 -0.85 0.00 0.00 174.74 176.61 2hpa h ASP 4258N 1.50 0.00 1.05 1.40 3.04 -1.90 -0.89 116.42 120.62 2hpa h ASP 4258Ca -0.43 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.24 2hpa h ASP 4258Cb 1.26 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.53 2hpa h ASP 4258CO 0.74 0.10 -0.58 0.71 -2.04 0.00 0.00 179.24 178.17 2hpa h THR 4259N 0.00 1.13 -0.11 1.15 1.35 -1.96 -0.67 112.91 113.80 2hpa h THR 4259Ca -0.00 -2.22 -0.07 0.00 -0.55 0.00 0.00 66.41 63.57 2hpa h THR 4259Cb 0.32 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2hpa h THR 4259CO 0.01 0.57 -0.22 0.74 -0.25 0.00 0.00 175.52 176.37 2hpa h THR 4260N 0.00 1.39 0.23 6.82 2.02 -1.40 0.61 112.91 122.57 2hpa h THR 4260Ca -0.01 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.65 2hpa h THR 4260Cb 1.26 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 2hpa h THR 4260CO 0.08 0.44 -0.11 0.58 0.37 0.00 0.00 175.52 176.87 2hpa h VAL 4261N -0.10 0.84 -0.65 3.16 2.07 -1.42 0.28 116.25 120.43 2hpa h VAL 4261Ca 0.00 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2hpa h VAL 4261Cb 0.81 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2hpa h VAL 4261CO 0.05 0.10 0.23 0.77 0.02 0.00 0.00 177.57 178.74 2hpa h SER 4262N -0.54 0.89 -0.40 0.57 4.64 -1.17 -0.83 113.55 116.71 2hpa h SER 4262Ca -0.03 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 2hpa h SER 4262Cb 0.40 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2hpa h SER 4262CO 0.05 0.82 0.16 1.23 -0.87 0.00 0.00 176.83 178.22 2hpa h GLY 4263N 1.04 0.64 0.95 -0.77 0.00 0.40 -1.50 103.07 103.83 2hpa h GLY 4263Ca 0.22 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2hpa h GLY 4263CO -0.01 0.33 0.15 -2.00 0.00 0.00 0.00 176.54 175.00 2hpa h LEU 4264N 0.50 0.60 -0.75 3.11 5.85 0.08 -2.71 115.31 122.00 2hpa h LEU 4264Ca 0.13 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 2hpa h LEU 4264Cb 0.18 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2hpa h LEU 4264CO -0.01 0.63 -0.39 1.56 -0.34 0.00 0.00 178.44 179.89 2hpa h GLN 4265N 0.54 0.50 -0.43 1.25 4.20 -1.08 -1.93 115.11 118.17 2hpa h GLN 4265Ca 0.14 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 2hpa h GLN 4265Cb 0.23 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2hpa h GLN 4265CO -0.01 0.81 -0.01 0.52 -0.67 0.00 0.00 178.83 179.47 2hpa h MET 4266N 0.42 0.70 -0.41 1.46 2.86 -1.24 0.65 114.93 119.36 2hpa h MET 4266Ca 0.04 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 2hpa h MET 4266Cb 0.87 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 2hpa h MET 4266CO 0.07 0.72 -0.11 0.00 1.06 0.00 0.00 176.91 178.65 2hpa h ALA 4267N 1.34 0.56 0.00 6.32 0.00 -1.18 -2.26 119.26 124.04 2hpa h ALA 4267Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2hpa h ALA 4267Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2hpa h ALA 4267CO 0.02 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.00 2hpa n LEU 4268N -4.31 0.14 -2.84 0.00 4.77 -0.75 -4.92 117.00 109.09 2hpa n LEU 4268Ca -0.01 0.52 -0.16 0.00 -0.03 0.00 0.00 56.01 56.33 2hpa n LEU 4268Cb 0.37 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 2hpa n LEU 4268CO 0.43 -0.08 0.14 0.47 -1.33 0.00 0.00 177.39 177.03 2hpa n ASP 4269N -1.64 -3.84 -0.49 -1.43 8.00 0.20 -4.59 116.55 112.77 2hpa n ASP 4269Ca 0.06 -0.43 0.03 0.00 0.71 0.00 0.00 54.79 55.15 2hpa n ASP 4269Cb 0.33 -3.95 0.04 0.00 -0.02 0.00 0.00 41.12 37.51 2hpa n ASP 4269CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2hpa n VAL 4270N -3.93 0.47 -2.51 2.53 0.24 0.12 -4.41 118.33 110.83 2hpa n VAL 4270Ca -0.09 -0.66 -0.41 0.00 -2.04 0.00 0.00 64.34 61.13 2hpa n VAL 4270Cb 0.58 0.36 -0.04 0.00 -1.47 0.00 0.00 33.84 33.27 2hpa n VAL 4270CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2hpa s TYR 4271N -0.71 3.57 -1.27 6.34 5.04 -1.19 -4.91 117.35 124.21 2hpa s TYR 4271Ca 0.11 1.54 0.28 0.00 -2.44 0.00 0.00 57.07 56.55 2hpa s TYR 4271Cb 0.10 -3.29 1.00 0.00 0.35 0.00 0.00 41.96 40.12 2hpa s TYR 4271CO -0.01 -0.71 1.74 0.27 -1.34 0.00 0.00 175.55 175.51 2hpa n ASN 4272N 2.92 0.36 0.00 4.32 0.23 -1.26 -4.93 115.26 116.90 2hpa n ASN 4272Ca 0.05 -0.17 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 2hpa n ASN 4272Cb 0.47 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 2hpa n ASN 4272CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hpa n GLY 4273N 1.41 2.73 3.86 4.83 0.00 -1.26 -5.01 105.19 111.75 2hpa n GLY 4273Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2hpa n GLY 4273CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hpa s LEU 4274N 0.00 4.08 0.07 0.99 1.43 -1.26 -4.85 118.68 119.14 2hpa s LEU 4274Ca 0.00 1.14 -0.31 0.00 -1.03 0.00 0.00 54.13 53.94 2hpa s LEU 4274Cb 0.00 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 42.20 2hpa s LEU 4274CO 0.00 -0.18 1.62 -0.76 0.23 0.00 0.00 176.35 177.26 2hpa s LEU 4275N -3.01 4.36 -0.23 1.79 1.43 -1.26 -4.90 118.68 116.86 2hpa s LEU 4275Ca 0.52 2.46 -0.31 0.00 -1.03 0.00 0.00 54.13 55.77 2hpa s LEU 4275Cb -0.10 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.47 2hpa s LEU 4275CO 0.20 -0.86 2.17 -2.65 0.23 0.00 0.00 176.35 175.44 2hpa n PRO 4276N 5.40 1.80 -0.88 1.29 -0.02 -1.26 -4.92 135.00 136.41 2hpa n PRO 4276Ca 0.15 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 2hpa n PRO 4276Cb 0.41 -2.97 0.16 0.00 -0.02 0.00 0.00 33.50 31.07 2hpa n PRO 4276CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2hpa s PRO 4277N 6.03 1.07 0.27 0.52 0.04 -1.26 -4.84 135.00 136.83 2hpa s PRO 4277Ca 1.02 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 2hpa s PRO 4277Cb -0.51 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.15 2hpa s PRO 4277CO 0.41 -2.50 1.41 0.66 0.04 0.00 0.00 177.00 177.02 2hpa n TYR 4278N -4.12 2.29 -0.88 0.56 4.01 -1.26 -1.33 117.16 116.42 2hpa n TYR 4278Ca 0.09 0.43 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 2hpa n TYR 4278Cb 0.53 -2.47 0.00 0.00 -0.31 0.00 0.00 39.34 37.09 2hpa n TYR 4278CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hpa n ALA 4279N 1.65 0.00 -1.73 -0.72 0.00 -0.94 -4.92 120.51 113.85 2hpa n ALA 4279Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 2hpa n ALA 4279Cb 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2hpa n ALA 4279CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2hpa n SER 4280N -0.27 3.16 -3.93 0.00 3.41 -0.44 -4.63 113.62 110.91 2hpa n SER 4280Ca 0.00 1.19 -0.21 0.00 -0.26 0.00 0.00 58.87 59.59 2hpa n SER 4280Cb 0.14 -1.55 -0.16 0.00 -0.26 0.00 0.00 64.21 62.38 2hpa n SER 4280CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hpa s HIS 4282N 0.81 3.22 -0.07 0.00 5.04 -1.08 0.06 115.29 123.28 2hpa s HIS 4282Ca -0.12 -1.27 -0.29 0.00 -1.54 0.00 0.00 55.06 51.85 2hpa s HIS 4282Cb -0.15 -3.89 -0.02 0.00 0.04 0.00 0.00 32.58 28.56 2hpa s HIS 4282CO 0.01 -1.13 0.94 -0.51 -2.34 0.00 0.00 174.74 171.71 2hpa s LEU 4283N 1.84 4.30 -0.34 8.88 2.01 0.17 -3.01 118.68 132.52 2hpa s LEU 4283Ca 0.09 1.50 0.00 0.00 0.01 0.00 0.00 54.13 55.73 2hpa s LEU 4283Cb -0.25 -3.47 0.11 0.00 0.01 0.00 0.00 46.19 42.59 2hpa s LEU 4283CO 0.02 -0.33 0.12 0.28 1.01 0.00 0.00 176.35 177.45 2hpa s THR 4284N 1.49 1.07 -0.19 5.49 -1.32 -0.62 0.48 115.64 122.04 2hpa s THR 4284Ca 0.47 -1.70 -0.09 0.00 -1.21 0.00 0.00 61.69 59.16 2hpa s THR 4284Cb -0.19 -1.80 -0.05 0.00 -1.51 0.00 0.00 72.50 68.95 2hpa s THR 4284CO 0.21 -0.72 0.12 -1.61 -2.21 0.00 0.00 174.62 170.42 2hpa s GLU 4285N 1.31 4.12 -0.27 7.08 2.02 0.45 -1.73 118.70 131.68 2hpa s GLU 4285Ca 0.12 -0.23 -0.12 0.00 0.02 0.00 0.00 54.97 54.75 2hpa s GLU 4285Cb -0.19 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.62 2hpa s GLU 4285CO -0.19 0.32 0.25 -1.17 0.02 0.00 0.00 175.26 174.50 2hpa s LEU 4286N 0.28 4.03 0.07 1.80 2.96 -0.18 0.66 118.68 128.30 2hpa s LEU 4286Ca 0.08 0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 2hpa s LEU 4286Cb -0.11 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 2hpa s LEU 4286CO -0.01 -0.09 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.51 2hpa s TYR 4287N 1.81 2.73 -0.16 5.38 2.02 0.16 -1.38 117.35 127.91 2hpa s TYR 4287Ca 0.10 -0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 56.58 2hpa s TYR 4287Cb -0.16 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 2hpa s TYR 4287CO 0.10 0.38 0.08 0.12 -1.57 0.00 0.00 175.55 174.67 2hpa s PHE 4288N -1.12 3.34 -0.28 2.71 5.36 0.19 -0.11 117.98 128.08 2hpa s PHE 4288Ca 0.19 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.40 2hpa s PHE 4288Cb -0.11 -2.02 0.16 0.00 -0.34 0.00 0.00 43.02 40.71 2hpa s PHE 4288CO 0.11 0.35 0.46 -2.00 -1.46 0.00 0.00 175.22 172.68 2hpa s GLU 4289N -0.12 0.44 -1.11 10.12 2.56 0.17 -1.51 118.70 129.25 2hpa s GLU 4289Ca 0.08 0.52 -0.11 0.00 0.00 0.00 0.00 54.97 55.46 2hpa s GLU 4289Cb -0.12 -0.11 -0.04 0.00 2.00 0.00 0.00 34.13 35.86 2hpa s GLU 4289CO 0.01 -0.80 0.86 1.63 -0.56 0.00 0.00 175.26 176.39 2hpa n LYS 4290N 5.38 -2.24 -0.24 4.30 5.02 -1.26 -1.70 118.16 127.42 2hpa n LYS 4290Ca -0.01 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 2hpa n LYS 4290Cb 0.51 -5.15 0.00 0.00 -0.02 0.00 0.00 35.03 30.37 2hpa n LYS 4290CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hpa n GLY 4291N -1.42 1.47 3.75 0.72 0.00 -1.26 -4.97 105.19 103.48 2hpa n GLY 4291Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2hpa n GLY 4291CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hpa s GLU 4292N -0.11 2.68 0.01 1.61 2.02 -0.69 -5.14 118.70 119.07 2hpa s GLU 4292Ca 0.00 -1.17 0.08 0.00 0.02 0.00 0.00 54.97 53.90 2hpa s GLU 4292Cb 0.00 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 2hpa s GLU 4292CO 0.00 0.40 -0.25 0.71 0.02 0.00 0.00 175.26 176.14 2hpa s TYR 4293N -2.16 2.22 -0.01 1.61 2.02 -1.26 0.44 117.35 120.22 2hpa s TYR 4293Ca 0.32 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.64 2hpa s TYR 4293Cb -0.08 -1.38 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 2hpa s TYR 4293CO 0.23 0.04 -0.09 -0.06 -1.57 0.00 0.00 175.55 174.09 2hpa s PHE 4294N -0.69 0.84 -0.18 2.71 0.40 0.84 -1.01 117.98 120.89 2hpa s PHE 4294Ca 0.10 -0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 56.15 2hpa s PHE 4294Cb -0.10 -0.54 -0.05 0.00 0.51 0.00 0.00 43.02 42.85 2hpa s PHE 4294CO 0.01 -0.01 0.22 0.08 0.70 0.00 0.00 175.22 176.21 2hpa s VAL 4295N -0.23 5.35 -0.11 -0.44 1.01 0.45 0.36 120.40 126.79 2hpa s VAL 4295Ca 0.03 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2hpa s VAL 4295Cb -0.04 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.80 2hpa s VAL 4295CO -0.00 0.41 -0.15 -1.61 0.00 0.00 0.00 175.10 173.75 2hpa s GLU 4296N 0.45 2.19 0.07 2.72 2.02 0.21 -1.65 118.70 124.72 2hpa s GLU 4296Ca 0.12 -0.55 0.09 0.00 0.02 0.00 0.00 54.97 54.66 2hpa s GLU 4296Cb -0.12 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.19 2hpa s GLU 4296CO 0.01 -0.08 -0.23 -1.64 0.02 0.00 0.00 175.26 173.34 2hpa s MET 4297N 1.04 1.77 0.05 1.61 -1.94 -1.26 0.17 119.30 120.74 2hpa s MET 4297Ca -0.06 -1.15 -0.05 0.00 -1.71 0.00 0.00 55.69 52.73 2hpa s MET 4297Cb -0.15 -2.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.65 2hpa s MET 4297CO -0.02 0.50 0.08 0.71 -0.01 0.00 0.00 175.02 176.28 2hpa s TYR 4298N -0.94 0.25 -0.27 -0.03 2.02 0.18 -1.10 117.35 117.46 2hpa s TYR 4298Ca 0.14 -0.62 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 2hpa s TYR 4298Cb -0.10 -0.18 0.07 0.00 -0.40 0.00 0.00 41.96 41.35 2hpa s TYR 4298CO 0.05 -0.39 -0.03 -0.47 -1.57 0.00 0.00 175.55 173.14 2hpa s TYR 4299N -3.00 2.83 -1.19 2.71 5.04 0.17 0.42 117.35 124.33 2hpa s TYR 4299Ca -0.02 -2.17 -0.15 0.00 -2.44 0.00 0.00 57.07 52.29 2hpa s TYR 4299Cb 0.01 -1.98 0.15 0.00 0.35 0.00 0.00 41.96 40.49 2hpa s TYR 4299CO -0.06 -0.85 1.45 0.50 -1.34 0.00 0.00 175.55 175.25 2hpa s ARG 4300N 1.24 4.02 0.00 4.97 3.52 0.11 -1.22 118.95 131.59 2hpa s ARG 4300Ca -0.01 -2.39 0.24 0.00 -0.13 0.00 0.00 55.73 53.44 2hpa s ARG 4300Cb -0.19 -5.13 0.20 0.00 -1.56 0.00 0.00 34.95 28.27 2hpa s ARG 4300CO -0.08 -1.85 1.25 0.27 -0.81 0.00 0.00 175.30 174.08 2hpa n ASN 4301N 6.21 2.77 -3.78 -2.12 6.94 -1.26 -1.69 115.26 122.33 2hpa n ASN 4301Ca 0.37 -1.89 -0.16 0.00 -0.02 0.00 0.00 54.58 52.88 2hpa n ASN 4301Cb 0.44 0.08 -0.16 0.00 -2.36 0.00 0.00 39.78 37.78 2hpa n ASN 4301CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2hpa s GLU 4302N -2.08 0.09 0.20 -3.83 2.02 -1.26 -4.82 118.70 109.03 2hpa s GLU 4302Ca 0.27 0.16 -0.08 0.00 0.02 0.00 0.00 54.97 55.33 2hpa s GLU 4302Cb 0.20 -0.36 0.12 0.00 0.10 0.00 0.00 34.13 34.19 2hpa s GLU 4302CO 0.35 -0.17 1.70 1.15 0.02 0.00 0.00 175.26 178.31 2hpa h THR 4303N 6.28 1.26 -0.22 3.63 2.02 -1.99 -3.10 112.91 120.81 2hpa h THR 4303Ca -0.43 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 65.66 2hpa h THR 4303Cb 1.13 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2hpa h THR 4303CO 0.46 0.39 0.08 0.00 0.37 0.00 0.00 175.52 176.82 2hpa n GLN 4304N -4.22 1.76 -3.80 6.66 0.00 -1.26 -4.87 117.38 111.65 2hpa n GLN 4304Ca 0.05 -0.86 -0.10 0.00 0.00 0.00 0.00 57.00 56.08 2hpa n GLN 4304Cb 0.29 -1.54 -0.07 0.00 0.00 0.00 0.00 30.24 28.92 2hpa n GLN 4304CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2hpa s HIS 4305N -1.23 0.04 0.47 2.61 3.76 -1.17 -5.13 115.29 114.63 2hpa s HIS 4305Ca 0.16 -0.37 -0.22 0.00 -0.15 0.00 0.00 55.06 54.47 2hpa s HIS 4305Cb 0.12 0.02 -0.08 0.00 1.11 0.00 0.00 32.58 33.76 2hpa s HIS 4305CO 0.04 -0.55 1.11 -1.83 -0.85 0.00 0.00 174.74 172.66 2hpa s GLU 4306N -3.46 3.75 0.47 1.40 -1.05 -1.26 -4.82 118.70 113.73 2hpa s GLU 4306Ca 0.02 1.62 -0.25 0.00 -0.15 0.00 0.00 54.97 56.21 2hpa s GLU 4306Cb 0.03 -2.29 -0.08 0.00 -0.44 0.00 0.00 34.13 31.36 2hpa s GLU 4306CO -0.09 -0.52 1.43 -1.25 0.95 0.00 0.00 175.26 175.78 2hpa s PRO 4307N -2.89 3.56 -0.31 -4.83 0.04 -1.26 -4.90 135.00 124.40 2hpa s PRO 4307Ca 0.65 2.41 -0.29 0.00 0.04 0.00 0.00 61.00 63.82 2hpa s PRO 4307Cb -0.24 -2.57 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 2hpa s PRO 4307CO 0.29 -0.92 1.41 -0.47 0.04 0.00 0.00 177.00 177.35 2hpa s TYR 4308N -1.21 2.47 0.07 0.56 5.04 -0.36 -4.71 117.35 119.21 2hpa s TYR 4308Ca 0.63 0.75 -0.31 0.00 -2.44 0.00 0.00 57.07 55.70 2hpa s TYR 4308Cb -0.44 -4.03 -0.08 0.00 0.35 0.00 0.00 41.96 37.77 2hpa s TYR 4308CO 0.56 -2.07 1.59 -1.25 -1.34 0.00 0.00 175.55 173.03 2hpa s PRO 4309N 4.51 4.22 0.16 4.97 0.04 -1.26 -0.66 135.00 146.97 2hpa s PRO 4309Ca 0.61 2.26 -0.02 0.00 0.04 0.00 0.00 61.00 63.89 2hpa s PRO 4309Cb -0.18 -3.54 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 2hpa s PRO 4309CO 0.27 -0.68 0.35 -0.51 0.04 0.00 0.00 177.00 176.47 2hpa s LEU 4310N 2.39 4.27 -0.06 -3.56 1.43 -0.26 -4.93 118.68 117.96 2hpa s LEU 4310Ca 0.71 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 54.23 2hpa s LEU 4310Cb -0.39 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 42.69 2hpa s LEU 4310CO 0.31 0.03 0.05 -0.32 0.23 0.00 0.00 176.35 176.65 2hpa s MET 4311N -2.95 0.10 -0.19 1.70 -2.45 -1.26 -4.42 119.30 109.82 2hpa s MET 4311Ca 0.39 0.26 -0.28 0.00 -1.25 0.00 0.00 55.69 54.81 2hpa s MET 4311Cb -0.12 -0.76 -0.05 0.00 1.25 0.00 0.00 34.83 35.15 2hpa s MET 4311CO 0.27 -0.36 2.15 -1.17 1.05 0.00 0.00 175.02 176.97 2hpa s LEU 4312N 2.12 3.58 -0.12 4.11 2.96 -1.26 -4.85 118.68 125.22 2hpa s LEU 4312Ca 0.05 1.95 -0.38 0.00 -0.22 0.00 0.00 54.13 55.53 2hpa s LEU 4312Cb -0.13 -3.51 -0.15 0.00 0.50 0.00 0.00 46.19 42.90 2hpa s LEU 4312CO -0.04 -1.82 1.62 -0.81 -1.32 0.00 0.00 176.35 173.98 2hpa n PRO 4313N 8.57 1.32 0.00 0.98 -0.04 -1.26 0.85 135.00 145.42 2hpa n PRO 4313Ca 0.28 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2hpa n PRO 4313Cb 0.45 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 2hpa n PRO 4313CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hpa n GLY 4314N 3.65 2.13 3.62 0.55 0.00 -1.26 -5.06 105.19 108.82 2hpa n GLY 4314Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2hpa n GLY 4314CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpa s SER 4316N -3.72 5.34 0.31 0.00 0.01 -1.26 -4.57 113.70 109.80 2hpa s SER 4316Ca 0.17 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.88 2hpa s SER 4316Cb 0.03 -1.36 0.49 0.00 0.21 0.00 0.00 66.02 65.39 2hpa s SER 4316CO 0.10 -1.19 1.90 -0.65 0.41 0.00 0.00 173.24 173.81 2hpa h PRO 4317N -0.18 0.83 -3.31 12.44 0.11 -1.92 -3.02 132.00 136.94 2hpa h PRO 4317Ca -0.45 -0.12 -0.74 0.00 0.11 0.00 0.00 66.00 64.81 2hpa h PRO 4317Cb 1.28 -0.15 -0.33 0.00 0.11 0.00 0.00 31.00 31.91 2hpa h PRO 4317CO 0.59 0.67 0.12 0.45 -0.21 0.00 0.00 178.00 179.62 2hpa n SER 4318N -4.34 4.76 -4.74 -2.05 2.88 -1.26 -4.42 113.62 104.45 2hpa n SER 4318Ca 0.05 -3.14 -0.41 0.00 -1.33 0.00 0.00 58.87 54.04 2hpa n SER 4318Cb 0.15 -1.15 -0.03 0.00 -0.75 0.00 0.00 64.21 62.43 2hpa n SER 4318CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hpa s PRO 4320N -0.25 4.22 0.22 0.00 0.02 -1.26 0.17 135.00 138.13 2hpa s PRO 4320Ca 0.55 2.11 -0.12 0.00 0.02 0.00 0.00 61.00 63.56 2hpa s PRO 4320Cb -0.35 -3.73 0.30 0.00 0.02 0.00 0.00 34.50 30.74 2hpa s PRO 4320CO 0.38 -0.71 1.36 -0.11 -0.33 0.00 0.00 177.00 177.59 2hpa n LEU 4321N 6.08 -0.46 -0.25 -5.54 7.94 -0.18 0.42 117.00 125.02 2hpa n LEU 4321Ca 0.15 1.52 0.05 0.00 -1.11 0.00 0.00 56.01 56.62 2hpa n LEU 4321Cb 0.43 -0.40 0.19 0.00 0.53 0.00 0.00 43.42 44.17 2hpa n LEU 4321CO 0.61 -1.40 0.99 -0.33 -1.11 0.00 0.00 177.39 176.14 2hpa h GLU 4322N 0.00 0.37 -0.01 1.96 3.07 -1.91 0.27 114.58 118.33 2hpa h GLU 4322Ca 0.36 -0.02 -0.20 0.00 -0.50 0.00 0.00 59.36 58.99 2hpa h GLU 4322Cb 0.57 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2hpa h GLU 4322CO -0.88 0.24 -0.86 -0.09 -1.40 0.00 0.00 179.01 176.02 2hpa h ARG 4323N 0.38 0.30 0.12 2.33 2.43 -0.41 -2.80 114.38 116.73 2hpa h ARG 4323Ca 0.42 -0.30 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2hpa h ARG 4323Cb 0.67 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 2hpa h ARG 4323CO -0.44 0.99 -0.15 0.35 -1.51 0.00 0.00 179.97 179.21 2hpa h PHE 4324N 0.18 -0.38 -0.27 2.20 3.57 -0.08 0.27 116.94 122.42 2hpa h PHE 4324Ca -0.05 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.52 2hpa h PHE 4324Cb 1.47 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 40.29 2hpa h PHE 4324CO 0.04 -0.22 -0.24 0.00 -2.23 0.00 0.00 178.31 175.66 2hpa h ALA 4325N 0.54 -0.11 -0.28 2.41 0.00 -0.54 0.93 119.26 122.21 2hpa h ALA 4325Ca 0.01 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 2hpa h ALA 4325Cb 0.31 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2hpa h ALA 4325CO -0.06 -0.66 -0.47 1.05 0.00 0.00 0.00 179.25 179.11 2hpa h GLU 4326N -0.24 0.75 -0.70 0.00 4.11 -1.17 -1.60 114.58 115.73 2hpa h GLU 4326Ca 0.15 -0.43 -0.07 0.00 0.07 0.00 0.00 59.36 59.07 2hpa h GLU 4326Cb 0.46 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2hpa h GLU 4326CO -0.40 1.05 0.15 -0.07 0.07 0.00 0.00 179.01 179.81 2hpa h LEU 4327N 0.59 1.08 -0.22 3.06 3.38 -0.27 -2.90 115.31 120.04 2hpa h LEU 4327Ca 0.03 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2hpa h LEU 4327Cb 1.03 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2hpa h LEU 4327CO 0.10 1.05 -0.03 0.55 0.09 0.00 0.00 178.44 180.20 2hpa n VAL 4328N -4.23 0.00 -0.13 1.22 3.14 0.30 -4.34 118.33 114.30 2hpa n VAL 4328Ca 0.05 -0.06 -0.11 0.00 -2.96 0.00 0.00 64.34 61.26 2hpa n VAL 4328Cb 0.27 -0.22 -0.02 0.00 -1.06 0.00 0.00 33.84 32.81 2hpa n VAL 4328CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2hpa h GLY 4329N 4.97 0.77 0.14 7.55 0.00 -1.07 -3.22 103.07 112.20 2hpa h GLY 4329Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2hpa h GLY 4329CO 0.00 0.57 0.00 -1.55 0.00 0.00 0.00 176.54 175.56 2hpa n PRO 4330N -4.39 0.45 0.00 4.80 -0.04 -1.26 -2.07 135.00 132.49 2hpa n PRO 4330Ca -0.02 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2hpa n PRO 4330Cb 0.34 -1.07 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 2hpa n PRO 4330CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2hpa n VAL 4331N -0.57 0.00 -3.62 0.52 3.14 -1.21 -4.85 118.33 111.74 2hpa n VAL 4331Ca 0.01 -0.46 -0.37 0.00 -2.96 0.00 0.00 64.34 60.57 2hpa n VAL 4331Cb 0.01 1.02 -0.09 0.00 -1.06 0.00 0.00 33.84 33.71 2hpa n VAL 4331CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2hpa s ILE 4332N -0.95 5.34 0.44 1.55 1.01 -0.88 -3.18 121.20 124.53 2hpa s ILE 4332Ca 0.01 0.23 -0.23 0.00 0.00 0.00 0.00 60.65 60.67 2hpa s ILE 4332Cb 0.02 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 2hpa s ILE 4332CO 0.08 0.32 1.13 -2.16 0.00 0.00 0.00 174.94 174.32 2hpa s PRO 4333N 1.19 3.87 0.00 2.79 0.04 -1.25 -4.96 135.00 136.68 2hpa s PRO 4333Ca 0.09 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.87 2hpa s PRO 4333Cb -0.14 -2.44 -0.25 0.00 0.04 0.00 0.00 34.50 31.72 2hpa s PRO 4333CO 0.06 -0.44 0.85 1.96 0.04 0.00 0.00 177.00 179.46 2hpa h GLN 4334N 2.16 0.11 -0.90 4.56 1.08 -1.96 -3.43 115.11 116.73 2hpa h GLN 4334Ca -0.49 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 56.44 2hpa h GLN 4334Cb 1.24 0.07 -0.17 0.00 -0.05 0.00 0.00 27.48 28.56 2hpa h GLN 4334CO 0.61 0.88 -0.43 0.34 -0.95 0.00 0.00 178.83 179.28 2hpa s ASP 4335N -6.62 -1.34 0.27 1.46 -1.08 -1.26 -5.04 116.67 103.05 2hpa s ASP 4335Ca -0.06 -1.13 -0.03 0.00 -0.52 0.00 0.00 52.55 50.81 2hpa s ASP 4335Cb 0.08 1.74 0.58 0.00 -1.46 0.00 0.00 42.92 43.86 2hpa s ASP 4335CO 0.83 -0.10 1.62 -0.25 0.52 0.00 0.00 175.17 177.80 2hpa h TRP 4336N 5.86 0.06 0.25 -5.34 7.01 -1.92 0.35 115.95 122.23 2hpa h TRP 4336Ca 0.05 0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 2hpa h TRP 4336Cb 1.15 0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 28.32 2hpa h TRP 4336CO 0.10 -0.27 -0.14 1.03 -2.79 0.00 0.00 178.44 176.36 2hpa h SER 4337N 0.11 -0.35 -0.03 2.65 0.87 -1.98 0.22 113.55 115.04 2hpa h SER 4337Ca 0.49 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.94 2hpa h SER 4337Cb 0.93 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2hpa h SER 4337CO -0.72 -0.24 -0.39 0.71 -0.53 0.00 0.00 176.83 175.67 2hpa h THR 4338N -0.37 1.30 0.00 2.23 1.35 -1.76 -2.52 112.91 113.14 2hpa h THR 4338Ca -0.03 -1.54 -0.02 0.00 -0.55 0.00 0.00 66.41 64.28 2hpa h THR 4338Cb 0.31 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2hpa h THR 4338CO 0.03 0.48 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.37 2hpa h GLU 4339N 0.45 0.00 0.00 4.72 5.08 -0.04 -2.57 114.58 122.21 2hpa h GLU 4339Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2hpa h GLU 4339Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2hpa h GLU 4339CO 0.07 0.09 -0.27 0.00 -1.00 0.00 0.00 179.01 177.90 2hpa s MET 4341N -3.18 4.24 0.00 0.00 -1.94 -0.97 -0.61 119.30 116.84 2hpa s MET 4341Ca 0.07 2.36 0.00 0.00 -1.71 0.00 0.00 55.69 56.41 2hpa s MET 4341Cb 0.10 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.86 2hpa s MET 4341CO 0.67 -0.43 0.00 -2.37 -0.01 0.00 0.00 175.02 172.88