#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqb s LYS 4002N 0.00 3.03 -0.09 3.17 1.02 -1.26 -0.42 119.74 125.19 1jqb s LYS 4002Ca 0.00 -0.58 -0.24 0.00 0.02 0.00 0.00 55.97 55.17 1jqb s LYS 4002Cb 0.00 -2.82 0.05 0.00 -0.52 0.00 0.00 37.83 34.54 1jqb s LYS 4002CO 0.00 0.60 0.56 0.20 -0.92 0.00 0.00 175.35 175.80 1jqb s GLY 4003N -2.17 -0.44 -0.49 -3.33 0.00 -0.76 -1.95 107.32 98.18 1jqb s GLY 4003Ca 0.28 1.17 -0.19 0.00 0.00 0.00 0.00 44.72 45.97 1jqb s GLY 4003CO 0.20 0.89 0.62 -0.12 0.00 0.00 0.00 173.10 174.69 1jqb s PHE 4004N -0.80 3.05 0.46 1.90 5.36 0.22 -0.63 117.98 127.53 1jqb s PHE 4004Ca -0.09 -0.45 0.05 0.00 -0.96 0.00 0.00 56.93 55.49 1jqb s PHE 4004Cb -0.02 -3.48 -0.04 0.00 -0.34 0.00 0.00 43.02 39.13 1jqb s PHE 4004CO 0.06 -1.00 0.07 0.00 -1.46 0.00 0.00 175.22 172.89 1jqb s ALA 4005N 2.66 3.67 -0.31 11.12 0.00 -0.67 -1.51 121.76 136.71 1jqb s ALA 4005Ca 0.16 -1.53 -0.18 0.00 0.00 0.00 0.00 51.96 50.41 1jqb s ALA 4005Cb -0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1jqb s ALA 4005CO 0.13 -0.12 0.54 1.41 0.00 0.00 0.00 175.76 177.72 1jqb s MET 4006N -3.85 3.86 -1.11 0.00 1.75 0.25 -1.33 119.30 118.87 1jqb s MET 4006Ca 0.26 0.13 -0.06 0.00 -1.25 0.00 0.00 55.69 54.77 1jqb s MET 4006Cb 0.05 -3.73 0.07 0.00 2.84 0.00 0.00 34.83 34.06 1jqb s MET 4006CO 0.14 -0.52 2.58 1.28 -0.65 0.00 0.00 175.02 177.85 1jqb n LEU 4007N 5.71 7.66 0.00 4.11 4.32 0.84 -0.79 117.00 138.86 1jqb n LEU 4007Ca -0.04 -4.59 0.00 0.00 -0.02 0.00 0.00 56.01 51.36 1jqb n LEU 4007Cb 0.49 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 40.94 1jqb n LEU 4007CO 0.44 1.98 0.00 0.61 -1.22 0.00 0.00 177.39 179.19 1jqb n GLY 4008N 1.74 -0.13 3.69 -0.72 0.00 -1.20 -4.50 105.19 104.07 1jqb n GLY 4008Ca 0.60 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1jqb n GLY 4008CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jqb n ILE 4009N 0.01 0.32 -0.90 -0.61 3.06 -1.25 -1.73 119.36 118.26 1jqb n ILE 4009Ca 0.00 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 1jqb n ILE 4009Cb 0.00 -2.01 0.00 0.00 0.54 0.00 0.00 39.64 38.17 1jqb n ILE 4009CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1jqb n ASN 4010N 5.37 -2.71 -3.75 9.51 3.02 0.93 -4.97 115.26 122.67 1jqb n ASN 4010Ca 0.18 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.60 1jqb n ASN 4010Cb 0.35 -0.45 -0.09 0.00 -0.61 0.00 0.00 39.78 38.98 1jqb n ASN 4010CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jqb s LYS 4011N -0.82 0.60 0.23 3.52 1.02 -0.71 -4.94 119.74 118.66 1jqb s LYS 4011Ca 0.00 0.03 -0.14 0.00 0.02 0.00 0.00 55.97 55.88 1jqb s LYS 4011Cb 0.00 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 1jqb s LYS 4011CO 0.00 -0.15 0.49 -0.48 -0.92 0.00 0.00 175.35 174.29 1jqb s LEU 4012N -0.86 0.30 0.00 3.17 2.34 -1.26 -0.11 118.68 122.26 1jqb s LEU 4012Ca -0.09 -0.83 0.00 0.00 0.06 0.00 0.00 54.13 53.27 1jqb s LEU 4012Cb -0.04 1.85 0.00 0.00 -0.56 0.00 0.00 46.19 47.43 1jqb s LEU 4012CO 0.03 -1.12 0.00 0.61 -1.06 0.00 0.00 176.35 174.81 1jqb n GLY 4013N -0.37 1.47 3.74 -3.48 0.00 -0.44 -4.75 105.19 101.36 1jqb n GLY 4013Ca -0.04 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1jqb n GLY 4013CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jqb s TRP 4014N -2.00 3.72 0.28 1.61 0.52 -1.26 -1.67 118.94 120.14 1jqb s TRP 4014Ca 0.00 1.72 0.02 0.00 0.02 0.00 0.00 56.10 57.86 1jqb s TRP 4014Cb 0.00 -3.16 -0.06 0.00 -1.15 0.00 0.00 33.47 29.10 1jqb s TRP 4014CO 0.00 -0.18 0.08 0.96 0.02 0.00 0.00 176.95 177.83 1jqb s ILE 4015N -0.40 0.79 -0.19 2.03 -4.36 0.20 -4.93 121.20 114.33 1jqb s ILE 4015Ca 0.47 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.79 1jqb s ILE 4015Cb -0.27 -2.68 -0.04 0.00 1.25 0.00 0.00 42.46 40.72 1jqb s ILE 4015CO 0.33 -0.02 0.06 -1.61 0.24 0.00 0.00 174.94 173.94 1jqb s GLU 4016N -3.98 3.88 0.02 0.37 0.41 -1.26 -1.84 118.70 116.31 1jqb s GLU 4016Ca 0.37 -0.39 0.01 0.00 -0.41 0.00 0.00 54.97 54.55 1jqb s GLU 4016Cb 0.08 -3.21 -0.02 0.00 -1.78 0.00 0.00 34.13 29.20 1jqb s GLU 4016CO 0.14 0.17 -0.04 0.21 -0.49 0.00 0.00 175.26 175.25 1jqb s LYS 4017N 0.63 0.35 0.27 1.61 2.47 0.44 -4.97 119.74 120.55 1jqb s LYS 4017Ca 0.03 -0.55 -0.30 0.00 -1.56 0.00 0.00 55.97 53.60 1jqb s LYS 4017Cb -0.13 -0.08 -0.10 0.00 -1.46 0.00 0.00 37.83 36.06 1jqb s LYS 4017CO 0.02 0.00 1.40 -2.00 0.16 0.00 0.00 175.35 174.93 1jqb s GLU 4018N -1.20 4.29 0.08 4.03 2.56 -1.26 0.39 118.70 127.58 1jqb s GLU 4018Ca -0.10 2.28 -0.31 0.00 0.00 0.00 0.00 54.97 56.84 1jqb s GLU 4018Cb -0.08 -3.10 -0.08 0.00 2.00 0.00 0.00 34.13 32.88 1jqb s GLU 4018CO -0.00 -0.36 1.53 0.50 -0.56 0.00 0.00 175.26 176.37 1jqb s ARG 4019N -0.82 4.24 0.66 4.30 3.52 -1.26 -4.79 118.95 124.81 1jqb s ARG 4019Ca 0.56 2.20 -0.17 0.00 -0.13 0.00 0.00 55.73 58.19 1jqb s ARG 4019Cb -0.41 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 1jqb s ARG 4019CO 0.47 -0.62 1.26 -1.25 -0.81 0.00 0.00 175.30 174.34 1jqb s PRO 4020N 2.05 2.48 -0.01 5.12 0.04 -1.26 -5.03 135.00 138.39 1jqb s PRO 4020Ca 0.69 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.72 1jqb s PRO 4020Cb -0.38 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1jqb s PRO 4020CO 0.30 -1.62 -0.13 0.14 0.04 0.00 0.00 177.00 175.73 1jqb s VAL 4021N -1.59 3.16 0.17 -0.36 -7.23 -1.26 -5.00 120.40 108.29 1jqb s VAL 4021Ca 0.80 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 1jqb s VAL 4021Cb -0.34 -2.30 -0.07 0.00 0.56 0.00 0.00 36.38 34.23 1jqb s VAL 4021CO 0.40 0.48 1.01 0.00 -0.31 0.00 0.00 175.10 176.68 1jqb s ALA 4022N -0.85 3.32 1.00 1.32 0.00 -1.26 -5.03 121.76 120.25 1jqb s ALA 4022Ca 0.14 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 1jqb s ALA 4022Cb -0.11 -3.29 0.22 0.00 0.00 0.00 0.00 23.12 19.94 1jqb s ALA 4022CO 0.03 -0.04 1.32 0.20 0.00 0.00 0.00 175.76 177.27 1jqb s GLY 4023N -0.34 1.78 0.44 0.00 0.00 -1.26 -4.79 107.32 103.15 1jqb s GLY 4023Ca 0.46 -1.23 0.21 0.00 0.00 0.00 0.00 44.72 44.17 1jqb s GLY 4023CO 0.33 -0.43 1.84 0.23 0.00 0.00 0.00 173.10 175.07 1jqb h SER 4024N -1.77 0.32 -0.26 1.64 0.87 -1.97 -2.04 113.55 110.35 1jqb h SER 4024Ca -0.44 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1jqb h SER 4024Cb 1.23 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1jqb h SER 4024CO 0.35 0.11 0.00 -1.22 -0.53 0.00 0.00 176.83 175.54 1jqb n TYR 4025N -4.48 0.34 -3.20 2.24 4.01 -1.26 -1.08 117.16 113.74 1jqb n TYR 4025Ca 0.21 -0.34 -0.20 0.00 -0.16 0.00 0.00 57.90 57.40 1jqb n TYR 4025Cb 0.82 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 39.87 1jqb n TYR 4025CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jqb s ASP 4026N -1.00 5.09 -0.00 7.72 1.01 -0.77 -0.73 116.67 128.00 1jqb s ASP 4026Ca 0.21 -0.86 -0.03 0.00 0.71 0.00 0.00 52.55 52.59 1jqb s ASP 4026Cb 0.12 0.16 -0.00 0.00 1.01 0.00 0.00 42.92 44.20 1jqb s ASP 4026CO 0.16 -1.20 0.05 0.00 0.21 0.00 0.00 175.17 174.40 1jqb s ALA 4027N -2.64 -0.11 -0.17 5.23 0.00 -0.94 -0.40 121.76 122.73 1jqb s ALA 4027Ca 0.56 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.25 1jqb s ALA 4027Cb -0.06 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1jqb s ALA 4027CO 0.35 -0.14 0.05 0.42 0.00 0.00 0.00 175.76 176.44 1jqb s ILE 4028N -0.97 4.71 0.01 0.00 -1.09 0.14 -1.51 121.20 122.49 1jqb s ILE 4028Ca -0.11 -0.07 0.05 0.00 -2.23 0.00 0.00 60.65 58.30 1jqb s ILE 4028Cb -0.06 -3.10 -0.02 0.00 -1.58 0.00 0.00 42.46 37.70 1jqb s ILE 4028CO 0.00 0.49 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.34 1jqb s VAL 4029N 0.18 1.33 -0.14 2.92 1.01 -0.30 -0.90 120.40 124.49 1jqb s VAL 4029Ca 0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1jqb s VAL 4029Cb -0.12 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1jqb s VAL 4029CO 0.01 0.24 -0.03 0.00 0.00 0.00 0.00 175.10 175.32 1jqb s ARG 4030N -0.73 3.51 0.36 2.72 1.70 -0.88 0.19 118.95 125.82 1jqb s ARG 4030Ca 0.05 -0.49 -0.28 0.00 -0.47 0.00 0.00 55.73 54.54 1jqb s ARG 4030Cb -0.07 -2.89 -0.10 0.00 -0.57 0.00 0.00 34.95 31.32 1jqb s ARG 4030CO 0.00 0.35 1.33 -1.25 -1.08 0.00 0.00 175.30 174.66 1jqb s PRO 4031N 0.07 4.23 -0.09 3.89 0.04 -1.26 -1.61 135.00 140.27 1jqb s PRO 4031Ca 0.00 2.26 0.12 0.00 0.04 0.00 0.00 61.00 63.42 1jqb s PRO 4031Cb -0.13 -2.98 -0.17 0.00 0.04 0.00 0.00 34.50 31.26 1jqb s PRO 4031CO 0.02 -0.31 0.12 1.28 0.04 0.00 0.00 177.00 178.15 1jqb n LEU 4032N 0.59 0.00 -3.63 -3.56 4.77 -0.04 -4.78 117.00 110.35 1jqb n LEU 4032Ca 0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1jqb n LEU 4032Cb 0.42 0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.64 1jqb n LEU 4032CO 0.59 0.21 0.43 0.00 -1.33 0.00 0.00 177.39 177.29 1jqb s ALA 4033N -2.49 -1.82 0.16 -1.18 0.00 -0.97 -1.80 121.76 113.67 1jqb s ALA 4033Ca -0.06 2.09 -0.00 0.00 0.00 0.00 0.00 51.96 53.99 1jqb s ALA 4033Cb 0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1jqb s ALA 4033CO 0.52 -0.34 0.06 0.14 0.00 0.00 0.00 175.76 176.14 1jqb s VAL 4034N 0.60 0.23 -0.06 0.00 -7.23 -0.54 -1.81 120.40 111.59 1jqb s VAL 4034Ca -0.02 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 1jqb s VAL 4034Cb -0.05 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.72 1jqb s VAL 4034CO -0.03 -0.35 0.16 -0.55 -0.31 0.00 0.00 175.10 174.02 1jqb s SER 4035N -3.11 -0.16 0.36 4.85 0.15 -0.75 -0.28 113.70 114.75 1jqb s SER 4035Ca 0.28 0.32 -0.19 0.00 0.70 0.00 0.00 55.95 57.06 1jqb s SER 4035Cb 0.07 0.32 -0.10 0.00 -1.71 0.00 0.00 66.02 64.60 1jqb s SER 4035CO 0.05 -0.06 0.85 -2.16 1.20 0.00 0.00 173.24 173.11 1jqb s PRO 4036N 0.18 4.18 0.11 5.44 0.04 -1.26 -4.30 135.00 139.39 1jqb s PRO 4036Ca -0.01 0.94 0.11 0.00 0.04 0.00 0.00 61.00 62.08 1jqb s PRO 4036Cb -0.02 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1jqb s PRO 4036CO -0.00 0.11 -0.27 0.00 0.04 0.00 0.00 177.00 176.88 1jqb h THR 4038N 3.95 0.97 -0.57 0.00 1.35 -1.96 -1.87 112.91 114.78 1jqb h THR 4038Ca -0.50 -0.42 -0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1jqb h THR 4038Cb 1.16 1.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.79 1jqb h THR 4038CO 0.40 0.12 0.34 0.28 -0.25 0.00 0.00 175.52 176.40 1jqb h SER 4039N 0.00 0.67 0.76 5.36 0.02 -1.96 -0.94 113.55 117.46 1jqb h SER 4039Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1jqb h SER 4039Cb 0.22 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1jqb h SER 4039CO 0.02 0.52 0.00 0.44 -1.14 0.00 0.00 176.83 176.67 1jqb h ASP 4040N 0.78 0.00 0.84 3.07 5.19 -1.73 -1.31 116.42 123.26 1jqb h ASP 4040Ca 0.20 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.38 1jqb h ASP 4040Cb -0.02 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.45 1jqb h ASP 4040CO -0.04 0.00 -1.21 0.40 -3.12 0.00 0.00 179.24 175.27 1jqb h ILE 4041N 0.00 1.47 -0.20 0.35 1.08 -1.23 -2.63 117.51 116.34 1jqb h ILE 4041Ca 0.00 -3.21 -0.07 0.00 -0.39 0.00 0.00 64.86 61.19 1jqb h ILE 4041Cb 0.38 2.74 -0.00 0.00 -3.07 0.00 0.00 36.82 36.86 1jqb h ILE 4041CO 0.00 0.84 -0.15 0.45 -0.69 0.00 0.00 178.15 178.60 1jqb h HIS 4042N 0.00 0.54 -0.49 1.37 3.86 -1.03 -1.99 115.15 117.41 1jqb h HIS 4042Ca -0.09 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 58.92 1jqb h HIS 4042Cb 1.85 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 30.18 1jqb h HIS 4042CO 0.00 0.78 0.09 1.15 0.86 0.00 0.00 177.93 180.81 1jqb h THR 4043N 0.14 1.22 0.00 2.45 2.02 -1.34 -0.74 112.91 116.65 1jqb h THR 4043Ca 0.04 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1jqb h THR 4043Cb 0.67 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1jqb h THR 4043CO 0.04 0.30 -0.01 0.58 0.37 0.00 0.00 175.52 176.80 1jqb h VAL 4044N 0.73 0.00 0.00 3.16 2.07 -1.45 -2.87 116.25 117.89 1jqb h VAL 4044Ca 0.16 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1jqb h VAL 4044Cb 0.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1jqb h VAL 4044CO 0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 1jqb n PHE 4045N -2.37 0.00 0.00 1.57 3.72 -0.75 -0.05 117.46 119.58 1jqb n PHE 4045Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1jqb n PHE 4045Cb 0.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1jqb n PHE 4045CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1jqb n GLU 4046N -0.84 2.55 -2.87 -1.08 -0.58 -0.70 -4.84 120.64 112.28 1jqb n GLU 4046Ca 0.16 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.70 1jqb n GLU 4046Cb 0.07 -0.78 0.01 0.00 -0.57 0.00 0.00 31.44 30.17 1jqb n GLU 4046CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jqb n GLY 4047N 1.52 -0.50 0.25 0.62 0.00 -0.37 -4.81 105.19 101.90 1jqb n GLY 4047Ca 0.00 0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.25 1jqb n GLY 4047CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb h ALA 4048N 0.99 1.04 -0.31 4.61 0.00 -1.71 -0.39 119.26 123.49 1jqb h ALA 4048Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1jqb h ALA 4048Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1jqb h ALA 4048CO 0.50 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.99 1jqb n LEU 4049N -2.65 2.84 0.00 0.00 4.77 -1.26 -4.99 117.00 115.71 1jqb n LEU 4049Ca -0.02 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 1jqb n LEU 4049Cb 0.10 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1jqb n LEU 4049CO 0.14 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1jqb n GLY 4050N 0.40 0.63 3.88 -0.72 0.00 -0.16 -5.02 105.19 104.20 1jqb n GLY 4050Ca 0.11 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 1jqb n GLY 4050CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jqb s ASP 4051N 0.00 6.13 0.18 1.61 2.15 -1.26 -4.73 116.67 120.75 1jqb s ASP 4051Ca 0.00 1.26 -0.16 0.00 0.43 0.00 0.00 52.55 54.08 1jqb s ASP 4051Cb 0.00 -2.34 0.02 0.00 -0.30 0.00 0.00 42.92 40.31 1jqb s ASP 4051CO 0.00 -0.86 0.47 -0.13 -0.17 0.00 0.00 175.17 174.48 1jqb s ARG 4052N -5.10 1.30 -0.16 4.34 1.81 -1.26 -5.03 118.95 114.84 1jqb s ARG 4052Ca 0.54 -0.88 -0.07 0.00 -1.72 0.00 0.00 55.73 53.60 1jqb s ARG 4052Cb -0.11 0.49 0.07 0.00 -0.45 0.00 0.00 34.95 34.96 1jqb s ARG 4052CO 0.51 -0.54 0.35 0.21 -0.68 0.00 0.00 175.30 175.16 1jqb s LYS 4053N -3.87 0.27 -1.28 3.54 2.20 -1.26 -3.23 119.74 116.10 1jqb s LYS 4053Ca 0.09 0.84 -0.08 0.00 -0.36 0.00 0.00 55.97 56.46 1jqb s LYS 4053Cb 0.00 0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 1jqb s LYS 4053CO -0.04 -0.23 1.11 0.09 -0.36 0.00 0.00 175.35 175.92 1jqb n ASN 4054N 5.01 -5.92 -4.56 1.43 3.02 0.03 -4.90 115.26 109.38 1jqb n ASN 4054Ca -0.13 -0.51 -0.39 0.00 -0.03 0.00 0.00 54.58 53.52 1jqb n ASN 4054Cb 0.51 -4.79 -0.11 0.00 -0.61 0.00 0.00 39.78 34.78 1jqb n ASN 4054CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1jqb s MET 4055N -6.19 3.73 0.12 3.52 -2.45 -1.10 -4.84 119.30 112.09 1jqb s MET 4055Ca 0.52 -0.43 -0.31 0.00 -1.25 0.00 0.00 55.69 54.22 1jqb s MET 4055Cb -0.23 -3.73 -0.09 0.00 1.25 0.00 0.00 34.83 32.02 1jqb s MET 4055CO 0.69 -0.33 1.65 0.42 1.05 0.00 0.00 175.02 178.50 1jqb s ILE 4056N 1.79 2.75 0.96 10.11 1.01 -1.26 -0.58 121.20 135.98 1jqb s ILE 4056Ca 0.08 0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.97 1jqb s ILE 4056Cb -0.17 -3.25 0.21 0.00 0.01 0.00 0.00 42.46 39.27 1jqb s ILE 4056CO 0.11 0.01 1.31 -0.76 0.00 0.00 0.00 174.94 175.61 1jqb s LEU 4057N 1.97 2.77 0.00 2.97 1.43 -0.57 0.24 118.68 127.49 1jqb s LEU 4057Ca 0.73 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1jqb s LEU 4057Cb -0.43 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1jqb s LEU 4057CO 0.32 -2.75 0.00 0.61 0.23 0.00 0.00 176.35 174.76 1jqb n GLY 4058N -3.72 -1.28 0.89 -3.19 0.00 -1.26 -1.82 105.19 94.80 1jqb n GLY 4058Ca 0.16 -1.30 -0.00 0.00 0.00 0.00 0.00 46.02 44.88 1jqb n GLY 4058CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jqb n HIS 4059N 0.01 0.00 -3.80 1.61 1.44 -1.26 -1.34 115.22 111.87 1jqb n HIS 4059Ca 0.00 -0.25 -0.30 0.00 -2.01 0.00 0.00 57.72 55.16 1jqb n HIS 4059Cb 0.00 0.11 -0.15 0.00 0.12 0.00 0.00 29.99 30.07 1jqb n HIS 4059CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1jqb s GLU 4060N 0.00 0.94 0.11 -1.40 2.02 -1.26 -4.03 118.70 115.07 1jqb s GLU 4060Ca 0.09 -1.14 -0.20 0.00 0.02 0.00 0.00 54.97 53.75 1jqb s GLU 4060Cb 0.11 -2.27 0.05 0.00 0.10 0.00 0.00 34.13 32.12 1jqb s GLU 4060CO -0.05 -0.91 0.48 0.00 0.02 0.00 0.00 175.26 174.81 1jqb s ALA 4061N 1.49 -1.21 -0.00 5.21 0.00 -1.26 -1.81 121.76 124.18 1jqb s ALA 4061Ca 0.07 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.36 1jqb s ALA 4061Cb -0.18 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1jqb s ALA 4061CO -0.19 -0.63 -0.17 0.08 0.00 0.00 0.00 175.76 174.85 1jqb s VAL 4062N -3.38 1.35 0.00 0.00 1.01 -0.75 -2.56 120.40 116.07 1jqb s VAL 4062Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1jqb s VAL 4062Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1jqb s VAL 4062CO -0.09 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1jqb n GLY 4063N 2.49 2.77 3.28 4.51 0.00 -0.54 -0.86 105.19 116.85 1jqb n GLY 4063Ca -0.15 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 1jqb n GLY 4063CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jqb s GLU 4064N -0.97 2.99 0.06 1.61 2.12 -0.63 -0.34 118.70 123.54 1jqb s GLU 4064Ca 0.00 -0.83 -0.31 0.00 0.36 0.00 0.00 54.97 54.20 1jqb s GLU 4064Cb 0.00 -2.36 -0.07 0.00 0.26 0.00 0.00 34.13 31.96 1jqb s GLU 4064CO 0.00 0.26 1.39 0.08 -0.54 0.00 0.00 175.26 176.45 1jqb s VAL 4065N 0.17 3.52 -0.10 3.70 1.01 0.51 -2.06 120.40 127.15 1jqb s VAL 4065Ca -0.12 1.03 0.11 0.00 0.00 0.00 0.00 61.98 63.00 1jqb s VAL 4065Cb -0.16 -3.66 -0.16 0.00 0.00 0.00 0.00 36.38 32.40 1jqb s VAL 4065CO 0.06 0.04 0.09 0.52 0.00 0.00 0.00 175.10 175.82 1jqb n VAL 4066N 4.27 0.66 -3.70 2.92 0.31 -0.08 -0.56 118.33 122.15 1jqb n VAL 4066Ca 0.12 -0.47 -0.14 0.00 -0.01 0.00 0.00 64.34 63.85 1jqb n VAL 4066Cb 0.43 -0.51 -0.09 0.00 -0.91 0.00 0.00 33.84 32.76 1jqb n VAL 4066CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1jqb s GLU 4067N -2.41 0.60 0.05 5.55 2.12 -1.04 -4.76 118.70 118.82 1jqb s GLU 4067Ca -0.06 0.56 0.02 0.00 0.36 0.00 0.00 54.97 55.86 1jqb s GLU 4067Cb 0.04 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.70 1jqb s GLU 4067CO 0.50 -0.09 -0.08 0.14 -0.54 0.00 0.00 175.26 175.18 1jqb s VAL 4068N 0.02 0.60 0.88 3.70 -7.23 -1.26 0.25 120.40 117.36 1jqb s VAL 4068Ca -0.02 -1.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.89 1jqb s VAL 4068Cb -0.03 -0.70 0.12 0.00 0.56 0.00 0.00 36.38 36.32 1jqb s VAL 4068CO 0.02 -0.39 1.09 -0.83 -0.31 0.00 0.00 175.10 174.68 1jqb s GLY 4069N -1.66 1.63 0.62 2.32 0.00 0.46 -4.92 107.32 105.77 1jqb s GLY 4069Ca -0.08 0.01 0.38 0.00 0.00 0.00 0.00 44.72 45.03 1jqb s GLY 4069CO 0.00 0.48 2.28 1.48 0.00 0.00 0.00 173.10 177.34 1jqb h SER 4070N -1.51 0.00 -0.05 1.64 4.64 -1.75 -2.34 113.55 114.17 1jqb h SER 4070Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1jqb h SER 4070Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1jqb h SER 4070CO 0.53 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.89 1jqb n GLU 4071N -3.31 2.23 -2.38 4.77 -0.58 -0.24 -4.91 120.64 116.22 1jqb n GLU 4071Ca -0.02 -1.79 -0.42 0.00 -0.42 0.00 0.00 57.16 54.51 1jqb n GLU 4071Cb 0.12 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 1jqb n GLU 4071CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1jqb s VAL 4072N -1.97 3.99 -0.08 2.62 1.01 -0.88 -4.92 120.40 120.16 1jqb s VAL 4072Ca 0.30 1.39 0.06 0.00 0.00 0.00 0.00 61.98 63.73 1jqb s VAL 4072Cb 0.20 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 1jqb s VAL 4072CO 0.31 0.05 0.01 0.29 0.00 0.00 0.00 175.10 175.76 1jqb n LYS 4073N 4.61 2.36 0.00 2.72 4.76 -1.26 -4.75 118.16 126.59 1jqb n LYS 4073Ca 0.11 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.67 1jqb n LYS 4073Cb 0.45 -1.21 0.15 0.00 -1.84 0.00 0.00 35.03 32.58 1jqb n LYS 4073CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jqb n ASP 4074N -2.37 2.12 -4.09 4.39 8.00 -1.26 -4.94 116.55 118.41 1jqb n ASP 4074Ca -0.14 -1.57 -0.15 0.00 0.71 0.00 0.00 54.79 53.64 1jqb n ASP 4074Cb 0.75 0.22 -0.12 0.00 -0.02 0.00 0.00 41.12 41.96 1jqb n ASP 4074CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jqb s PHE 4075N -2.28 0.83 0.16 1.24 0.08 -1.26 -5.05 117.98 111.69 1jqb s PHE 4075Ca 0.25 -0.44 -0.08 0.00 0.12 0.00 0.00 56.93 56.77 1jqb s PHE 4075Cb 0.19 -0.49 -0.01 0.00 -0.57 0.00 0.00 43.02 42.14 1jqb s PHE 4075CO 0.45 -0.03 0.26 -1.59 -0.10 0.00 0.00 175.22 174.21 1jqb s LYS 4076N -1.44 1.12 0.27 0.44 -2.85 -1.26 -4.95 119.74 111.07 1jqb s LYS 4076Ca -0.06 -1.18 -0.30 0.00 -1.00 0.00 0.00 55.97 53.43 1jqb s LYS 4076Cb -0.09 0.37 -0.13 0.00 -2.06 0.00 0.00 37.83 35.92 1jqb s LYS 4076CO 0.01 -0.40 1.41 -2.30 0.10 0.00 0.00 175.35 174.17 1jqb n PRO 4077N -0.20 2.15 0.00 1.78 -0.02 -1.26 -1.88 135.00 135.57 1jqb n PRO 4077Ca -0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1jqb n PRO 4077Cb 0.63 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1jqb n PRO 4077CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jqb n GLY 4078N 1.90 2.82 3.76 -1.23 0.00 0.27 -4.99 105.19 107.72 1jqb n GLY 4078Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1jqb n GLY 4078CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jqb s ASP 4079N -0.33 6.75 -0.19 1.61 1.01 -0.78 -4.74 116.67 120.00 1jqb s ASP 4079Ca 0.00 2.64 -0.11 0.00 0.71 0.00 0.00 52.55 55.79 1jqb s ASP 4079Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1jqb s ASP 4079CO 0.00 -0.59 0.16 -0.13 0.21 0.00 0.00 175.17 174.83 1jqb s ARG 4080N -1.05 4.15 0.09 8.23 0.52 -1.26 -0.36 118.95 129.27 1jqb s ARG 4080Ca 0.54 -0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.63 1jqb s ARG 4080Cb -0.40 -3.40 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 1jqb s ARG 4080CO 0.47 0.32 -0.09 0.14 0.02 0.00 0.00 175.30 176.17 1jqb s VAL 4081N 0.28 0.82 -0.17 3.52 -7.23 0.54 -1.06 120.40 117.09 1jqb s VAL 4081Ca 0.10 -1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 58.49 1jqb s VAL 4081Cb -0.11 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 1jqb s VAL 4081CO -0.00 -0.63 0.23 -0.63 -0.31 0.00 0.00 175.10 173.76 1jqb s ILE 4082N -2.66 5.34 -0.33 -0.62 1.01 0.26 -1.47 121.20 122.75 1jqb s ILE 4082Ca 0.05 0.42 -0.04 0.00 0.00 0.00 0.00 60.65 61.08 1jqb s ILE 4082Cb -0.01 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.94 1jqb s ILE 4082CO -0.01 0.42 0.06 -0.69 0.00 0.00 0.00 174.94 174.72 1jqb s VAL 4083N 0.35 3.30 0.57 2.92 1.01 -1.06 -2.56 120.40 124.93 1jqb s VAL 4083Ca 0.14 -1.37 -0.20 0.00 0.00 0.00 0.00 61.98 60.54 1jqb s VAL 4083Cb -0.12 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1jqb s VAL 4083CO 0.02 -0.20 1.25 -2.16 0.00 0.00 0.00 175.10 174.01 1jqb s PRO 4084N 1.29 3.09 0.51 2.72 0.04 -1.26 -4.39 135.00 137.00 1jqb s PRO 4084Ca -0.03 1.96 0.29 0.00 0.04 0.00 0.00 61.00 63.26 1jqb s PRO 4084Cb -0.20 -2.08 1.31 0.00 0.04 0.00 0.00 34.50 33.58 1jqb s PRO 4084CO -0.00 -1.15 1.98 0.00 0.04 0.00 0.00 177.00 177.88 1jqb s THR 4086N -3.87 4.92 -0.63 0.00 2.01 -1.26 -4.22 115.64 112.60 1jqb s THR 4086Ca -0.01 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.76 1jqb s THR 4086Cb 0.11 -3.49 0.17 0.00 0.01 0.00 0.00 72.50 69.30 1jqb s THR 4086CO 0.58 0.06 0.45 0.42 -0.69 0.00 0.00 174.62 175.45 1jqb s THR 4087N 1.67 2.19 1.00 -0.82 -4.23 -0.34 -1.67 115.64 113.44 1jqb s THR 4087Ca 0.05 -3.84 -0.11 0.00 -1.18 0.00 0.00 61.69 56.61 1jqb s THR 4087Cb -0.17 -2.45 0.19 0.00 1.34 0.00 0.00 72.50 71.41 1jqb s THR 4087CO 0.08 -1.07 1.09 -2.84 -0.54 0.00 0.00 174.62 171.34 1jqb s PRO 4088N -1.05 0.39 -0.49 3.99 0.02 -1.16 -4.76 135.00 131.93 1jqb s PRO 4088Ca 0.27 1.18 -0.17 0.00 0.02 0.00 0.00 61.00 62.31 1jqb s PRO 4088Cb -0.02 -1.68 0.07 0.00 0.02 0.00 0.00 34.50 32.89 1jqb s PRO 4088CO -0.18 -2.94 0.49 -0.51 -0.33 0.00 0.00 177.00 173.53 1jqb s ASP 4089N -2.74 6.18 0.45 2.53 1.01 -1.26 -4.92 116.67 117.91 1jqb s ASP 4089Ca 0.67 -1.24 0.31 0.00 0.71 0.00 0.00 52.55 53.00 1jqb s ASP 4089Cb -0.23 -2.22 1.49 0.00 1.01 0.00 0.00 42.92 42.97 1jqb s ASP 4089CO 0.60 -0.76 1.94 -0.50 0.21 0.00 0.00 175.17 176.66 1jqb h TRP 4090N 8.86 0.00 -2.92 4.23 4.06 -1.95 -3.28 115.95 124.94 1jqb h TRP 4090Ca -0.28 0.00 -0.80 0.00 2.06 0.00 0.00 58.89 59.87 1jqb h TRP 4090Cb 1.10 0.00 -0.27 0.00 -1.00 0.00 0.00 29.16 29.00 1jqb h TRP 4090CO 0.69 0.00 0.83 0.54 -3.56 0.00 0.00 178.44 176.93 1jqb n ARG 4091N -2.68 4.15 -3.89 0.49 1.74 -1.26 -4.81 116.66 110.40 1jqb n ARG 4091Ca -0.00 -4.43 -0.10 0.00 -0.77 0.00 0.00 57.85 52.55 1jqb n ARG 4091Cb 0.17 -2.57 -0.09 0.00 -1.02 0.00 0.00 32.46 28.95 1jqb n ARG 4091CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jqb s SER 4092N -0.67 0.09 0.50 0.55 1.04 -1.24 -5.03 113.70 108.95 1jqb s SER 4092Ca 0.32 -0.41 0.25 0.00 0.48 0.00 0.00 55.95 56.59 1jqb s SER 4092Cb 0.01 0.25 1.30 0.00 0.10 0.00 0.00 66.02 67.68 1jqb s SER 4092CO 0.05 -0.51 2.02 -0.07 0.98 0.00 0.00 173.24 175.71 1jqb h LEU 4093N 3.68 0.00 -0.61 2.42 3.38 -1.93 -2.21 115.31 120.05 1jqb h LEU 4093Ca -0.32 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 1jqb h LEU 4093Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1jqb h LEU 4093CO 0.48 0.16 -0.20 -0.33 0.09 0.00 0.00 178.44 178.63 1jqb h GLU 4094N 0.00 0.89 -0.45 1.13 3.07 -1.87 -0.59 114.58 116.76 1jqb h GLU 4094Ca -0.00 -0.36 -0.02 0.00 -0.50 0.00 0.00 59.36 58.48 1jqb h GLU 4094Cb 0.42 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 1jqb h GLU 4094CO 0.02 1.01 0.19 0.28 -1.40 0.00 0.00 179.01 179.11 1jqb h VAL 4095N 0.78 1.20 0.00 3.13 2.07 -1.57 -0.71 116.25 121.14 1jqb h VAL 4095Ca 0.11 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1jqb h VAL 4095Cb 0.74 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1jqb h VAL 4095CO 0.06 0.22 -0.03 1.56 0.02 0.00 0.00 177.57 179.40 1jqb h GLN 4096N 0.59 0.00 -0.01 1.57 4.20 -1.08 -1.32 115.11 119.06 1jqb h GLN 4096Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1jqb h GLN 4096Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1jqb h GLN 4096CO -0.01 0.03 -0.18 0.00 -0.67 0.00 0.00 178.83 177.99 1jqb n ALA 4097N -2.33 2.93 -0.14 3.87 0.00 -0.26 -4.94 120.51 119.63 1jqb n ALA 4097Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1jqb n ALA 4097Cb 0.11 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1jqb n ALA 4097CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqb n GLY 4098N 1.30 0.93 2.62 0.00 0.00 -0.50 -5.05 105.19 104.49 1jqb n GLY 4098Ca 0.14 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1jqb n GLY 4098CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jqb s PHE 4099N -2.00 2.07 0.46 1.61 0.08 -0.44 -4.95 117.98 114.82 1jqb s PHE 4099Ca 0.00 -2.67 0.11 0.00 0.12 0.00 0.00 56.93 54.49 1jqb s PHE 4099Cb 0.00 -1.68 1.06 0.00 -0.57 0.00 0.00 43.02 41.83 1jqb s PHE 4099CO 0.00 -0.72 2.10 -0.56 -0.10 0.00 0.00 175.22 175.94 1jqb h GLN 4100N 5.75 0.27 0.00 0.44 3.07 -1.87 -2.46 115.11 120.32 1jqb h GLN 4100Ca 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.90 1jqb h GLN 4100Cb 0.86 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.36 1jqb h GLN 4100CO 0.50 0.18 -0.02 1.96 0.09 0.00 0.00 178.83 181.55 1jqb h GLN 4101N 0.28 0.00 -0.40 0.06 7.50 -1.92 -2.72 115.11 117.91 1jqb h GLN 4101Ca 0.08 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 58.96 1jqb h GLN 4101Cb -0.03 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 27.32 1jqb h GLN 4101CO -0.02 0.02 -0.37 0.72 -1.50 0.00 0.00 178.83 177.68 1jqb n HIS 4102N -3.29 1.39 -1.82 2.96 8.25 -0.93 -0.58 115.22 121.21 1jqb n HIS 4102Ca -0.02 -1.86 -0.42 0.00 -0.26 0.00 0.00 57.72 55.16 1jqb n HIS 4102Cb 0.14 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 30.78 1jqb n HIS 4102CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1jqb s SER 4103N -3.03 6.47 -1.23 0.41 1.04 -1.03 -1.93 113.70 114.40 1jqb s SER 4103Ca 0.46 2.41 0.00 0.00 0.48 0.00 0.00 55.95 59.30 1jqb s SER 4103Cb 0.40 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1jqb s SER 4103CO -0.01 -1.07 0.00 0.59 0.98 0.00 0.00 173.24 173.73 1jqb n ASN 4104N 7.66 -4.31 0.00 7.02 3.02 -1.26 -4.08 115.26 123.30 1jqb n ASN 4104Ca 0.19 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1jqb n ASN 4104Cb 0.42 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 1jqb n ASN 4104CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jqb n GLY 4105N -1.10 4.52 3.64 7.41 0.00 -0.81 -4.87 105.19 113.98 1jqb n GLY 4105Ca -0.15 -1.36 -0.44 0.00 0.00 0.00 0.00 46.02 44.07 1jqb n GLY 4105CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1jqb n MET 4106N -1.98 2.48 -0.61 1.61 1.56 -1.26 -1.27 117.12 117.65 1jqb n MET 4106Ca 0.00 0.86 0.00 0.00 -0.27 0.00 0.00 57.70 58.29 1jqb n MET 4106Cb 0.00 -3.00 0.00 0.00 2.15 0.00 0.00 33.22 32.37 1jqb n MET 4106CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1jqb n LEU 4107N 8.61 0.24 0.00 -0.89 4.77 -1.25 -4.87 117.00 123.61 1jqb n LEU 4107Ca 0.24 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.22 1jqb n LEU 4107Cb 0.40 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1jqb n LEU 4107CO 0.69 -0.12 0.45 0.00 -1.33 0.00 0.00 177.39 177.08 1jqb n ALA 4108N 0.82 1.20 0.15 -1.18 0.00 -0.40 -1.01 120.51 120.10 1jqb n ALA 4108Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1jqb n ALA 4108Cb 0.00 -1.02 0.14 0.00 0.00 0.00 0.00 19.45 18.57 1jqb n ALA 4108CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jqb h GLY 4109N 0.23 0.00 -7.29 0.00 0.00 -0.99 -3.40 103.07 91.62 1jqb h GLY 4109Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 1jqb h GLY 4109CO 0.00 0.00 -0.12 0.86 0.00 0.00 0.00 176.54 177.28 1jqb s TRP 4110N -3.19 3.13 -0.18 5.60 -0.00 -0.18 -1.20 118.94 122.93 1jqb s TRP 4110Ca 0.02 -0.55 -0.16 0.00 -0.00 0.00 0.00 56.10 55.41 1jqb s TRP 4110Cb 0.09 -3.23 -0.06 0.00 -0.00 0.00 0.00 33.47 30.28 1jqb s TRP 4110CO 0.73 -0.86 -0.30 1.63 -0.00 0.00 0.00 176.95 178.15 1jqb n LYS 4111N 5.76 0.51 -1.55 5.86 5.02 -1.26 -4.65 118.16 127.86 1jqb n LYS 4111Ca -0.08 0.30 -0.63 0.00 -2.02 0.00 0.00 58.31 55.88 1jqb n LYS 4111Cb 0.46 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 1jqb n LYS 4111CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jqb n PHE 4112N -4.49 1.58 -1.00 2.13 3.72 -1.26 0.23 117.46 118.37 1jqb n PHE 4112Ca -0.15 0.88 0.00 0.00 -0.05 0.00 0.00 57.45 58.13 1jqb n PHE 4112Cb 0.48 -2.30 0.00 0.00 -0.94 0.00 0.00 39.48 36.72 1jqb n PHE 4112CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jqb n SER 4113N 5.79 -5.21 -0.10 4.37 2.88 0.88 -4.61 113.62 117.62 1jqb n SER 4113Ca 0.40 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.78 1jqb n SER 4113Cb -0.01 -2.75 -0.06 0.00 -0.75 0.00 0.00 64.21 60.63 1jqb n SER 4113CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1jqb n ASN 4114N -0.75 1.90 0.00 -3.46 5.15 0.14 -4.86 115.26 113.38 1jqb n ASN 4114Ca 0.00 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1jqb n ASN 4114Cb 0.37 -0.83 0.00 0.00 -0.53 0.00 0.00 39.78 38.80 1jqb n ASN 4114CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1jqb n PHE 4115N -4.43 0.00 -4.72 1.20 1.16 -0.78 -5.07 117.46 104.82 1jqb n PHE 4115Ca -0.27 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 54.99 1jqb n PHE 4115Cb 0.59 0.01 -0.12 0.00 -1.61 0.00 0.00 39.48 38.36 1jqb n PHE 4115CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1jqb s LYS 4116N 0.00 2.45 0.16 3.97 2.20 -0.87 -5.04 119.74 122.61 1jqb s LYS 4116Ca 0.00 -0.75 -0.34 0.00 -0.36 0.00 0.00 55.97 54.52 1jqb s LYS 4116Cb 0.00 -2.39 -0.15 0.00 -1.51 0.00 0.00 37.83 33.79 1jqb s LYS 4116CO 0.00 0.61 1.40 -0.25 -0.36 0.00 0.00 175.35 176.74 1jqb n ASP 4117N 1.97 2.30 -2.53 1.43 8.00 -1.26 -0.09 116.55 126.37 1jqb n ASP 4117Ca -0.17 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.45 1jqb n ASP 4117Cb 0.52 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1jqb n ASP 4117CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jqb n GLY 4118N 2.62 -1.07 0.15 0.44 0.00 0.65 -4.51 105.19 103.46 1jqb n GLY 4118Ca 0.16 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.68 1jqb n GLY 4118CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jqb n VAL 4119N -1.08 0.00 -1.32 1.61 0.24 -0.45 -4.39 118.33 112.94 1jqb n VAL 4119Ca 0.00 -0.08 -0.28 0.00 -2.04 0.00 0.00 64.34 61.94 1jqb n VAL 4119Cb 0.00 0.07 -0.08 0.00 -1.47 0.00 0.00 33.84 32.36 1jqb n VAL 4119CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1jqb n PHE 4120N -0.88 1.50 -3.95 6.34 3.72 -0.76 -4.75 117.46 118.67 1jqb n PHE 4120Ca 0.13 -2.36 -0.09 0.00 -0.05 0.00 0.00 57.45 55.08 1jqb n PHE 4120Cb 0.30 -1.96 -0.08 0.00 -0.94 0.00 0.00 39.48 36.81 1jqb n PHE 4120CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jqb s GLY 4121N 1.64 0.35 0.58 1.37 0.00 -1.26 -0.61 107.32 109.39 1jqb s GLY 4121Ca 0.65 -0.88 0.27 0.00 0.00 0.00 0.00 44.72 44.77 1jqb s GLY 4121CO -0.06 -0.96 2.11 0.83 0.00 0.00 0.00 173.10 175.01 1jqb h GLU 4122N 2.78 0.00 -3.23 2.90 5.08 -1.71 -3.41 114.58 117.00 1jqb h GLU 4122Ca -0.34 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.93 1jqb h GLU 4122Cb 1.20 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.27 1jqb h GLU 4122CO 0.56 0.00 -0.24 0.71 -1.00 0.00 0.00 179.01 179.04 1jqb s TYR 4123N -4.70 -0.13 0.14 4.33 2.02 -1.26 -4.27 117.35 113.47 1jqb s TYR 4123Ca -0.05 0.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.67 1jqb s TYR 4123Cb 0.16 0.10 -0.03 0.00 -0.40 0.00 0.00 41.96 41.79 1jqb s TYR 4123CO 0.57 -0.49 0.11 -0.59 -1.57 0.00 0.00 175.55 173.59 1jqb s PHE 4124N -2.30 0.77 -0.16 2.71 -0.12 0.13 -4.90 117.98 114.11 1jqb s PHE 4124Ca -0.07 -1.13 -0.05 0.00 -0.05 0.00 0.00 56.93 55.63 1jqb s PHE 4124Cb -0.02 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 1jqb s PHE 4124CO -0.02 -0.57 0.03 -1.58 -0.05 0.00 0.00 175.22 173.03 1jqb s HIS 4125N -4.03 3.18 -0.24 3.49 5.65 -1.26 -1.15 115.29 120.93 1jqb s HIS 4125Ca 0.23 -0.00 -0.01 0.00 0.25 0.00 0.00 55.06 55.53 1jqb s HIS 4125Cb 0.06 -1.99 0.02 0.00 -1.18 0.00 0.00 32.58 29.50 1jqb s HIS 4125CO 0.02 0.17 -0.09 0.08 -0.65 0.00 0.00 174.74 174.27 1jqb s VAL 4126N 0.11 2.72 0.27 0.89 1.01 -0.57 -5.01 120.40 119.83 1jqb s VAL 4126Ca 0.03 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 1jqb s VAL 4126Cb -0.13 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 1jqb s VAL 4126CO 0.01 0.26 1.13 0.54 0.00 0.00 0.00 175.10 177.05 1jqb s ASN 4127N 1.31 7.19 -0.68 3.32 4.22 -1.26 -2.22 114.94 126.82 1jqb s ASN 4127Ca 0.01 2.31 -0.09 0.00 -2.14 0.00 0.00 52.86 52.95 1jqb s ASN 4127Cb -0.16 -2.63 0.01 0.00 1.28 0.00 0.00 41.25 39.76 1jqb s ASN 4127CO -0.06 -0.22 0.64 -0.67 -2.04 0.00 0.00 177.10 174.76 1jqb n ASP 4128N 1.32 -6.32 -0.15 3.54 -0.08 -1.15 -4.55 116.55 109.15 1jqb n ASP 4128Ca -0.00 -0.33 -0.06 0.00 -1.51 0.00 0.00 54.79 52.88 1jqb n ASP 4128Cb 0.44 -3.33 -0.00 0.00 2.34 0.00 0.00 41.12 40.57 1jqb n ASP 4128CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jqb h ALA 4129N 1.28 -0.11 -0.42 -1.67 0.00 -1.09 0.06 119.26 117.31 1jqb h ALA 4129Ca -0.34 0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1jqb h ALA 4129Cb 1.22 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 1jqb h ALA 4129CO 0.30 -0.70 0.29 -0.44 0.00 0.00 0.00 179.25 178.70 1jqb h ASP 4130N -0.21 0.18 0.42 0.00 3.32 -1.91 -1.89 116.42 116.33 1jqb h ASP 4130Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1jqb h ASP 4130Cb 0.54 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1jqb h ASP 4130CO -0.59 0.11 -1.30 0.23 -1.72 0.00 0.00 179.24 175.97 1jqb n MET 4131N -4.46 0.46 -0.03 3.56 2.81 -0.60 -4.55 117.12 114.31 1jqb n MET 4131Ca 0.06 -0.03 0.02 0.00 -1.81 0.00 0.00 57.70 55.94 1jqb n MET 4131Cb 0.35 -1.62 0.03 0.00 -0.71 0.00 0.00 33.22 31.27 1jqb n MET 4131CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jqb n ASN 4132N -2.20 1.89 -4.40 7.83 3.02 -0.09 -0.75 115.26 120.56 1jqb n ASN 4132Ca -0.00 -2.18 -0.22 0.00 -0.03 0.00 0.00 54.58 52.16 1jqb n ASN 4132Cb 0.50 -0.10 -0.10 0.00 -0.61 0.00 0.00 39.78 39.46 1jqb n ASN 4132CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jqb s LEU 4133N -1.33 2.55 -0.01 3.41 1.43 -0.75 -4.36 118.68 119.62 1jqb s LEU 4133Ca 0.07 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 1jqb s LEU 4133Cb 0.06 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1jqb s LEU 4133CO 0.01 -0.05 0.03 0.00 0.23 0.00 0.00 176.35 176.57 1jqb s ALA 4134N -2.59 -0.07 0.25 4.21 0.00 -1.06 -4.46 121.76 118.04 1jqb s ALA 4134Ca 0.25 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 1jqb s ALA 4134Cb -0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 1jqb s ALA 4134CO 0.10 -0.02 1.30 0.42 0.00 0.00 0.00 175.76 177.57 1jqb s ILE 4135N 0.00 3.03 -0.25 0.00 -1.09 -1.26 0.93 121.20 122.57 1jqb s ILE 4135Ca -0.00 0.92 -0.23 0.00 -2.23 0.00 0.00 60.65 59.11 1jqb s ILE 4135Cb -0.00 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.28 1jqb s ILE 4135CO 0.00 0.17 0.76 -0.22 -1.23 0.00 0.00 174.94 174.42 1jqb s LEU 4136N -0.80 4.07 0.42 2.97 2.96 -0.22 -4.65 118.68 123.43 1jqb s LEU 4136Ca 0.53 0.92 -0.25 0.00 -0.22 0.00 0.00 54.13 55.11 1jqb s LEU 4136Cb -0.37 -3.07 -0.10 0.00 0.50 0.00 0.00 46.19 43.14 1jqb s LEU 4136CO 0.43 -0.47 1.17 -2.65 -1.32 0.00 0.00 176.35 173.52 1jqb n PRO 4137N 5.91 1.70 -0.07 0.98 -0.02 -1.26 -4.87 135.00 137.38 1jqb n PRO 4137Ca 0.03 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 62.14 1jqb n PRO 4137Cb 0.48 -2.25 0.35 0.00 -0.02 0.00 0.00 33.50 32.06 1jqb n PRO 4137CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1jqb h LYS 4138N 1.89 0.68 -0.13 -0.52 2.10 -1.98 -2.63 116.57 115.98 1jqb h LYS 4138Ca -0.46 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1jqb h LYS 4138Cb 1.31 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1jqb h LYS 4138CO 0.59 0.48 0.00 -0.25 -2.00 0.00 0.00 179.45 178.27 1jqb n ASP 4139N -4.43 1.80 -4.68 7.07 8.00 -1.26 -4.90 116.55 118.15 1jqb n ASP 4139Ca 0.04 -1.67 -0.42 0.00 0.71 0.00 0.00 54.79 53.45 1jqb n ASP 4139Cb 0.08 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1jqb n ASP 4139CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1jqb s MET 4140N -1.85 4.36 0.23 -1.24 1.75 -0.99 -5.00 119.30 116.55 1jqb s MET 4140Ca 0.34 1.22 -0.32 0.00 -1.25 0.00 0.00 55.69 55.69 1jqb s MET 4140Cb 0.19 -3.56 -0.12 0.00 2.84 0.00 0.00 34.83 34.18 1jqb s MET 4140CO 0.29 -0.33 1.70 -2.30 -0.65 0.00 0.00 175.02 173.72 1jqb n PRO 4141N 5.17 2.75 -0.18 4.11 -0.02 -1.26 -4.87 135.00 140.70 1jqb n PRO 4141Ca 0.07 0.99 -0.01 0.00 -2.02 0.00 0.00 63.50 62.53 1jqb n PRO 4141Cb 0.49 -2.82 0.09 0.00 -0.02 0.00 0.00 33.50 31.23 1jqb n PRO 4141CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jqb h LEU 4142N 6.33 -0.05 -1.34 2.45 3.38 -1.97 -1.56 115.31 122.54 1jqb h LEU 4142Ca -0.44 0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.70 1jqb h LEU 4142Cb 1.21 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 42.07 1jqb h LEU 4142CO 0.92 -0.01 0.49 -0.33 0.09 0.00 0.00 178.44 179.60 1jqb h GLU 4143N 0.22 0.79 -0.07 1.13 3.07 -1.98 -1.77 114.58 115.96 1jqb h GLU 4143Ca 0.28 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.06 1jqb h GLU 4143Cb 0.41 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1jqb h GLU 4143CO -0.39 0.52 -0.08 -0.91 -1.40 0.00 0.00 179.01 176.75 1jqb h ASN 4144N 0.81 0.20 -0.85 1.42 4.21 -1.66 -3.24 115.58 116.48 1jqb h ASN 4144Ca 0.31 -0.50 0.06 0.00 1.21 0.00 0.00 56.30 57.39 1jqb h ASN 4144Cb 0.20 -0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.29 1jqb h ASN 4144CO -0.10 0.66 0.55 0.00 -1.29 0.00 0.00 177.43 177.25 1jqb h ALA 4145N 0.54 1.58 0.00 -0.83 0.00 -0.89 -1.19 119.26 118.48 1jqb h ALA 4145Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jqb h ALA 4145Cb 0.61 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jqb h ALA 4145CO 0.02 0.30 -0.07 0.28 0.00 0.00 0.00 179.25 179.77 1jqb h VAL 4146N 0.94 0.91 0.00 0.00 2.07 -1.36 -1.46 116.25 117.34 1jqb h VAL 4146Ca 0.36 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1jqb h VAL 4146Cb 0.22 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1jqb h VAL 4146CO -0.13 0.07 -0.08 0.24 0.02 0.00 0.00 177.57 177.69 1jqb h MET 4147N 0.00 0.00 -0.29 1.57 2.07 -1.25 -2.94 114.93 114.09 1jqb h MET 4147Ca -0.00 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.53 1jqb h MET 4147Cb 0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 1jqb h MET 4147CO 0.01 0.08 -0.21 0.82 1.07 0.00 0.00 176.91 178.67 1jqb h ILE 4148N 0.00 1.30 -1.02 -1.22 2.04 -1.32 -0.81 117.51 116.49 1jqb h ILE 4148Ca -0.00 -1.35 0.28 0.00 1.00 0.00 0.00 64.86 64.79 1jqb h ILE 4148Cb 0.51 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1jqb h ILE 4148CO 0.01 0.43 0.71 0.71 0.00 0.00 0.00 178.15 180.02 1jqb h THR 4149N 0.40 0.51 0.00 -0.27 1.35 -1.60 -3.18 112.91 110.12 1jqb h THR 4149Ca 0.06 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1jqb h THR 4149Cb 0.76 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1jqb h THR 4149CO 0.06 0.02 0.00 -0.67 -0.25 0.00 0.00 175.52 174.68 1jqb n ASP 4150N -4.32 -0.26 0.00 5.36 2.03 -1.25 -1.46 116.55 116.65 1jqb n ASP 4150Ca 0.22 0.31 -0.10 0.00 0.52 0.00 0.00 54.79 55.74 1jqb n ASP 4150Cb 1.02 0.39 -0.04 0.00 -0.72 0.00 0.00 41.12 41.77 1jqb n ASP 4150CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1jqb h MET 4151N 0.00 -0.11 0.13 -0.67 2.86 -1.74 0.74 114.93 116.13 1jqb h MET 4151Ca 0.00 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1jqb h MET 4151Cb 0.00 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1jqb h MET 4151CO 0.00 -0.07 -0.06 1.98 1.06 0.00 0.00 176.91 179.81 1jqb h MET 4152N -0.12 -0.17 -0.35 1.72 1.85 -1.29 -0.99 114.93 115.59 1jqb h MET 4152Ca 0.08 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.16 1jqb h MET 4152Cb 0.22 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.28 1jqb h MET 4152CO -0.18 0.16 0.15 0.00 -0.40 0.00 0.00 176.91 176.63 1jqb h THR 4153N -0.51 1.13 -0.03 -0.77 1.03 -1.53 -1.24 112.91 111.01 1jqb h THR 4153Ca -0.02 -0.40 -0.07 0.00 -0.01 0.00 0.00 66.41 65.91 1jqb h THR 4153Cb 0.40 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.20 1jqb h THR 4153CO 0.03 0.16 -0.26 0.74 -0.01 0.00 0.00 175.52 176.17 1jqb h THR 4154N 0.49 1.49 -0.56 0.00 2.02 -0.79 -2.02 112.91 113.54 1jqb h THR 4154Ca 0.12 -1.81 -0.04 0.00 0.77 0.00 0.00 66.41 65.45 1jqb h THR 4154Cb 0.09 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 1jqb h THR 4154CO -0.01 0.50 0.19 1.23 0.37 0.00 0.00 175.52 177.80 1jqb h GLY 4155N -0.36 0.93 1.07 2.16 0.00 -1.07 -1.91 103.07 103.88 1jqb h GLY 4155Ca -0.03 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1jqb h GLY 4155CO 0.05 0.51 0.06 0.74 0.00 0.00 0.00 176.54 177.91 1jqb h PHE 4156N 0.78 1.15 -0.11 5.60 -1.00 -1.32 -1.94 116.94 120.10 1jqb h PHE 4156Ca 0.18 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1jqb h PHE 4156Cb 0.26 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1jqb h PHE 4156CO 0.02 0.99 0.07 1.25 -1.61 0.00 0.00 178.31 179.02 1jqb h HIS 4157N 0.98 0.14 -0.68 -0.55 2.76 -1.11 0.36 115.15 117.05 1jqb h HIS 4157Ca 0.19 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 1jqb h HIS 4157Cb 0.49 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 1jqb h HIS 4157CO 0.04 0.09 0.17 0.78 -1.30 0.00 0.00 177.93 177.71 1jqb h GLY 4158N 0.16 1.17 1.53 5.26 0.00 -0.57 0.82 103.07 111.45 1jqb h GLY 4158Ca 0.04 -0.73 -0.16 0.00 0.00 0.00 0.00 47.33 46.48 1jqb h GLY 4158CO -0.01 0.68 -0.57 0.00 0.00 0.00 0.00 176.54 176.64 1jqb h ALA 4159N 1.08 0.72 -0.14 3.60 0.00 -0.50 -2.43 119.26 121.58 1jqb h ALA 4159Ca 0.22 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1jqb h ALA 4159Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jqb h ALA 4159CO 0.00 0.70 -0.04 0.93 0.00 0.00 0.00 179.25 180.84 1jqb h GLU 4160N 0.37 0.27 0.00 0.00 5.08 -0.08 -2.88 114.58 117.33 1jqb h GLU 4160Ca 0.00 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1jqb h GLU 4160Cb 1.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1jqb h GLU 4160CO 0.10 0.56 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.43 1jqb h LEU 4161N -0.04 0.00 -1.17 1.33 3.38 -0.86 -1.81 115.31 116.14 1jqb h LEU 4161Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jqb h LEU 4161Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1jqb h LEU 4161CO 0.01 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1jqb h ALA 4162N 1.82 1.00 -6.43 1.53 0.00 -1.21 -3.47 119.26 112.50 1jqb h ALA 4162Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1jqb h ALA 4162Cb 0.40 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.24 1jqb h ALA 4162CO 0.02 0.00 -0.95 -3.47 0.00 0.00 0.00 179.25 174.85 1jqb n ASP 4163N -2.62 -4.25 -4.77 0.00 2.03 -0.68 -4.80 116.55 101.46 1jqb n ASP 4163Ca 0.01 -1.08 -0.40 0.00 0.52 0.00 0.00 54.79 53.84 1jqb n ASP 4163Cb 0.24 -2.95 -0.03 0.00 -0.72 0.00 0.00 41.12 37.66 1jqb n ASP 4163CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jqb s ILE 4164N -3.56 3.06 0.18 5.18 1.01 -1.26 -5.06 121.20 120.75 1jqb s ILE 4164Ca 0.40 1.02 0.06 0.00 0.00 0.00 0.00 60.65 62.13 1jqb s ILE 4164Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1jqb s ILE 4164CO 0.89 0.20 0.11 -1.61 0.00 0.00 0.00 174.94 174.53 1jqb s GLU 4165N -1.84 2.77 -0.24 2.79 2.02 -1.26 -4.91 118.70 118.03 1jqb s GLU 4165Ca 0.50 -0.96 -0.33 0.00 0.02 0.00 0.00 54.97 54.20 1jqb s GLU 4165Cb -0.35 -2.56 -0.10 0.00 0.10 0.00 0.00 34.13 31.23 1jqb s GLU 4165CO 0.45 0.47 2.12 -1.33 0.02 0.00 0.00 175.26 176.98 1jqb n MET 4166N -0.39 1.63 -0.24 1.61 2.81 -1.26 -0.08 117.12 121.19 1jqb n MET 4166Ca -0.08 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 1jqb n MET 4166Cb 0.55 -2.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.32 1jqb n MET 4166CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jqb n GLY 4167N 5.73 0.65 3.70 3.03 0.00 0.12 -4.95 105.19 113.47 1jqb n GLY 4167Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 1jqb n GLY 4167CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jqb n SER 4168N 0.00 1.85 -4.82 1.61 7.64 0.89 -3.82 113.62 116.97 1jqb n SER 4168Ca 0.00 0.86 -0.38 0.00 1.01 0.00 0.00 58.87 60.36 1jqb n SER 4168Cb 0.00 -1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 61.63 1jqb n SER 4168CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1jqb s SER 4169N -1.22 6.69 -0.00 6.43 1.04 -1.26 0.21 113.70 125.58 1jqb s SER 4169Ca 0.78 0.82 0.02 0.00 0.48 0.00 0.00 55.95 58.04 1jqb s SER 4169Cb -0.40 -2.22 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 1jqb s SER 4169CO 0.44 0.28 -0.05 -0.69 0.98 0.00 0.00 173.24 174.20 1jqb s VAL 4170N -0.70 0.38 -0.13 5.02 1.01 0.48 -1.84 120.40 124.62 1jqb s VAL 4170Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1jqb s VAL 4170Cb -0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1jqb s VAL 4170CO 0.10 0.10 -0.15 -0.69 0.00 0.00 0.00 175.10 174.46 1jqb s VAL 4171N -0.14 2.86 -0.28 2.92 1.01 -0.45 0.63 120.40 126.95 1jqb s VAL 4171Ca 0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1jqb s VAL 4171Cb -0.02 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.21 1jqb s VAL 4171CO -0.00 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.89 1jqb s VAL 4172N 0.41 2.75 -0.43 2.92 1.01 0.32 -0.19 120.40 127.17 1jqb s VAL 4172Ca -0.11 -1.35 -0.24 0.00 0.00 0.00 0.00 61.98 60.28 1jqb s VAL 4172Cb -0.16 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1jqb s VAL 4172CO 0.06 0.00 0.82 -0.63 0.00 0.00 0.00 175.10 175.35 1jqb s ILE 4173N 1.24 4.62 0.00 2.22 1.01 0.02 -1.38 121.20 128.93 1jqb s ILE 4173Ca -0.05 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1jqb s ILE 4173Cb -0.19 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 37.95 1jqb s ILE 4173CO -0.03 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 174.83 1jqb n GLY 4174N 4.87 1.76 1.84 6.18 0.00 -0.64 -0.93 105.19 118.27 1jqb n GLY 4174Ca 0.03 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 1jqb n GLY 4174CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jqb n ILE 4175N 2.46 2.66 -1.30 -0.61 -5.35 -1.16 -4.09 119.36 111.98 1jqb n ILE 4175Ca 0.00 -3.79 -0.15 0.00 -0.27 0.00 0.00 62.75 58.54 1jqb n ILE 4175Cb 0.00 -0.97 0.11 0.00 -1.74 0.00 0.00 39.64 37.04 1jqb n ILE 4175CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jqb n GLY 4176N -0.82 -1.63 0.27 3.28 0.00 -1.26 -4.45 105.19 100.56 1jqb n GLY 4176Ca 0.43 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.86 1jqb n GLY 4176CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb h ALA 4177N -2.01 0.85 -0.46 4.61 0.00 -1.95 0.98 119.26 121.28 1jqb h ALA 4177Ca -0.21 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1jqb h ALA 4177Cb 0.60 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1jqb h ALA 4177CO 0.15 -0.38 0.18 0.28 0.00 0.00 0.00 179.25 179.48 1jqb h VAL 4178N 0.19 1.21 -0.21 0.00 2.07 -1.89 -2.16 116.25 115.45 1jqb h VAL 4178Ca 0.40 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1jqb h VAL 4178Cb 0.69 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1jqb h VAL 4178CO -0.56 0.24 -0.08 1.23 0.02 0.00 0.00 177.57 178.42 1jqb h GLY 4179N 0.60 0.36 1.37 2.17 0.00 -1.33 -0.23 103.07 106.02 1jqb h GLY 4179Ca 0.15 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 1jqb h GLY 4179CO -0.01 0.20 -0.39 1.41 0.00 0.00 0.00 176.54 177.74 1jqb h LEU 4180N 0.32 0.73 -0.60 3.11 3.38 -0.59 -1.07 115.31 120.59 1jqb h LEU 4180Ca 0.07 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1jqb h LEU 4180Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1jqb h LEU 4180CO 0.02 1.04 -0.33 0.24 0.09 0.00 0.00 178.44 179.49 1jqb h MET 4181N 0.57 0.00 -0.38 1.13 2.86 -0.96 -1.37 114.93 116.79 1jqb h MET 4181Ca 0.05 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.54 1jqb h MET 4181Cb 0.92 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1jqb h MET 4181CO 0.08 0.33 -0.36 0.78 1.06 0.00 0.00 176.91 178.80 1jqb h GLY 4182N 2.73 0.97 0.76 8.32 0.00 -0.51 0.48 103.07 115.82 1jqb h GLY 4182Ca -0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 1jqb h GLY 4182CO 0.04 0.87 0.01 -2.22 0.00 0.00 0.00 176.54 175.24 1jqb h ILE 4183N 0.73 1.20 -0.64 2.60 2.04 -0.93 0.00 117.51 122.52 1jqb h ILE 4183Ca 0.07 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.34 1jqb h ILE 4183Cb 0.94 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1jqb h ILE 4183CO 0.09 0.16 0.41 0.00 0.00 0.00 0.00 178.15 178.81 1jqb h ALA 4184N 0.76 0.83 -0.71 1.87 0.00 -1.20 -1.28 119.26 119.54 1jqb h ALA 4184Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1jqb h ALA 4184Cb 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1jqb h ALA 4184CO 0.00 0.18 0.22 0.78 0.00 0.00 0.00 179.25 180.43 1jqb h GLY 4185N 0.81 1.18 1.02 0.00 0.00 -0.78 -1.10 103.07 104.19 1jqb h GLY 4185Ca 0.25 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1jqb h GLY 4185CO -0.09 0.66 0.38 0.00 0.00 0.00 0.00 176.54 177.49 1jqb h ALA 4186N 1.10 0.97 -0.57 3.60 0.00 -0.47 -1.88 119.26 122.01 1jqb h ALA 4186Ca 0.23 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1jqb h ALA 4186Cb 0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jqb h ALA 4186CO -0.01 0.52 0.06 -0.22 0.00 0.00 0.00 179.25 179.60 1jqb h LYS 4187N 1.05 0.94 -0.02 0.00 3.64 -0.95 -1.65 116.57 119.57 1jqb h LYS 4187Ca 0.26 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1jqb h LYS 4187Cb 0.09 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1jqb h LYS 4187CO -0.04 0.89 0.00 1.28 -2.27 0.00 0.00 179.45 179.31 1jqb n LEU 4188N -4.22 0.02 -0.07 5.20 4.77 -0.44 -2.08 117.00 120.18 1jqb n LEU 4188Ca 0.03 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1jqb n LEU 4188Cb 0.29 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1jqb n LEU 4188CO 0.42 0.01 0.37 0.54 -1.33 0.00 0.00 177.39 177.40 1jqb n ARG 4189N -0.49 0.72 -0.17 3.23 5.12 -0.68 -5.00 116.66 119.40 1jqb n ARG 4189Ca 0.00 -0.99 0.00 0.00 -1.93 0.00 0.00 57.85 54.93 1jqb n ARG 4189Cb 0.01 -1.03 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 1jqb n ARG 4189CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jqb n GLY 4190N -0.09 0.91 3.68 -0.13 0.00 -0.88 -4.39 105.19 104.29 1jqb n GLY 4190Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1jqb n GLY 4190CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n ALA 4191N -1.50 0.91 -1.51 4.61 0.00 -0.88 0.13 120.51 122.28 1jqb n ALA 4191Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1jqb n ALA 4191Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1jqb n ALA 4191CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqb n GLY 4192N 0.99 0.85 3.74 0.00 0.00 0.13 -4.65 105.19 106.26 1jqb n GLY 4192Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1jqb n GLY 4192CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jqb s ARG 4193N 0.20 4.56 -0.18 1.61 3.52 -1.25 -4.92 118.95 122.50 1jqb s ARG 4193Ca 0.00 1.75 -0.01 0.00 -0.13 0.00 0.00 55.73 57.34 1jqb s ARG 4193Cb 0.00 -3.28 0.05 0.00 -1.56 0.00 0.00 34.95 30.16 1jqb s ARG 4193CO 0.00 0.02 -0.03 0.42 -0.81 0.00 0.00 175.30 174.90 1jqb s ILE 4194N -0.12 1.02 -0.40 4.11 1.01 -1.26 -0.39 121.20 125.18 1jqb s ILE 4194Ca 0.51 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 1jqb s ILE 4194Cb -0.30 -1.28 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1jqb s ILE 4194CO 0.35 0.02 0.29 -0.63 0.00 0.00 0.00 174.94 174.97 1jqb s ILE 4195N 1.66 5.20 -0.05 2.92 1.01 0.20 -0.15 121.20 131.99 1jqb s ILE 4195Ca -0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 1jqb s ILE 4195Cb -0.16 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 1jqb s ILE 4195CO -0.07 -0.28 0.34 -0.83 0.00 0.00 0.00 174.94 174.09 1jqb s GLY 4196N 1.67 2.38 -0.21 6.18 0.00 -0.19 -0.52 107.32 116.63 1jqb s GLY 4196Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 44.72 44.40 1jqb s GLY 4196CO 0.10 0.09 -0.07 0.14 0.00 0.00 0.00 173.10 173.35 1jqb s VAL 4197N -0.82 3.15 0.00 1.40 1.01 -0.48 -1.11 120.40 123.54 1jqb s VAL 4197Ca 0.21 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1jqb s VAL 4197Cb -0.15 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1jqb s VAL 4197CO 0.10 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1jqb n GLY 4198N 4.64 -0.64 0.00 4.51 0.00 -0.48 -1.62 105.19 111.61 1jqb n GLY 4198Ca -0.19 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1jqb n GLY 4198CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jqb n SER 4199N 0.00 1.67 -4.48 1.61 3.41 -1.26 -4.16 113.62 110.42 1jqb n SER 4199Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.15 1jqb n SER 4199Cb 0.00 0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1jqb n SER 4199CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1jqb n ARG 4200N -1.62 0.92 -0.32 4.33 0.63 -1.26 -4.80 116.66 114.53 1jqb n ARG 4200Ca 0.00 0.19 0.09 0.00 -0.92 0.00 0.00 57.85 57.20 1jqb n ARG 4200Cb 0.19 -2.52 0.18 0.00 0.45 0.00 0.00 32.46 30.76 1jqb n ARG 4200CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1jqb n PRO 4201N 8.42 -0.08 -0.36 -0.14 -0.02 -1.26 -0.06 135.00 141.51 1jqb n PRO 4201Ca 0.44 1.39 -0.01 0.00 -2.02 0.00 0.00 63.50 63.31 1jqb n PRO 4201Cb 0.27 -2.13 0.13 0.00 -0.02 0.00 0.00 33.50 31.74 1jqb n PRO 4201CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1jqb h ILE 4202N 0.00 1.18 -0.12 4.25 6.09 -1.88 -1.38 117.51 125.65 1jqb h ILE 4202Ca 0.48 -0.42 -0.14 0.00 -1.37 0.00 0.00 64.86 63.41 1jqb h ILE 4202Cb 0.84 -0.16 -0.01 0.00 0.47 0.00 0.00 36.82 37.96 1jqb h ILE 4202CO -0.90 0.23 -0.51 0.00 -3.07 0.00 0.00 178.15 173.89 1jqb h VAL 4204N 0.27 1.22 -0.52 0.00 2.07 -0.22 0.17 116.25 119.24 1jqb h VAL 4204Ca 0.01 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 1jqb h VAL 4204Cb 0.99 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1jqb h VAL 4204CO 0.08 0.26 -0.14 -0.33 0.02 0.00 0.00 177.57 177.47 1jqb h GLU 4205N 0.85 1.01 -0.52 1.57 4.39 -1.21 -2.67 114.58 117.99 1jqb h GLU 4205Ca 0.21 -0.38 -0.10 0.00 0.34 0.00 0.00 59.36 59.42 1jqb h GLU 4205Cb 0.15 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1jqb h GLU 4205CO -0.02 1.07 -0.09 0.00 -1.16 0.00 0.00 179.01 178.80 1jqb h ALA 4206N 0.94 0.86 -0.65 3.43 0.00 -1.17 -1.66 119.26 121.01 1jqb h ALA 4206Ca 0.13 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1jqb h ALA 4206Cb 0.70 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1jqb h ALA 4206CO 0.05 0.65 0.30 0.00 0.00 0.00 0.00 179.25 180.26 1jqb h ALA 4207N 1.03 0.86 -0.34 0.00 0.00 -0.41 0.12 119.26 120.53 1jqb h ALA 4207Ca 0.14 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 1jqb h ALA 4207Cb 0.63 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jqb h ALA 4207CO 0.04 -0.09 -0.45 0.87 0.00 0.00 0.00 179.25 179.63 1jqb h LYS 4208N 0.54 0.88 -0.80 0.00 1.57 -1.33 -0.17 116.57 117.26 1jqb h LYS 4208Ca 0.31 -0.50 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1jqb h LYS 4208Cb 0.32 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1jqb h LYS 4208CO -0.26 1.14 0.52 0.35 -0.57 0.00 0.00 179.45 180.64 1jqb h PHE 4209N 0.70 0.94 0.00 -1.35 3.57 -0.27 -1.95 116.94 118.58 1jqb h PHE 4209Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1jqb h PHE 4209Cb 1.04 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1jqb h PHE 4209CO 0.06 0.54 -0.22 0.66 -2.23 0.00 0.00 178.31 177.13 1jqb n TYR 4210N -4.45 0.34 0.00 0.41 4.01 0.29 -4.92 117.16 112.84 1jqb n TYR 4210Ca 0.10 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 1jqb n TYR 4210Cb 0.12 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.56 1jqb n TYR 4210CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jqb n GLY 4211N 1.42 0.45 3.72 2.72 0.00 -0.73 -4.05 105.19 108.72 1jqb n GLY 4211Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1jqb n GLY 4211CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n ALA 4212N 0.00 1.99 0.06 4.61 0.00 -0.13 -4.64 120.51 122.41 1jqb n ALA 4212Ca 0.00 0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.92 1jqb n ALA 4212Cb 0.00 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 16.91 1jqb n ALA 4212CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jqb n THR 4213N 2.02 0.00 -3.90 0.00 -2.24 0.79 -4.56 114.28 106.39 1jqb n THR 4213Ca 0.10 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1jqb n THR 4213Cb 0.35 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.60 1jqb n THR 4213CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jqb s ASP 4214N -4.14 0.08 -0.06 3.42 1.11 -0.98 -4.96 116.67 111.13 1jqb s ASP 4214Ca -0.06 -0.26 0.01 0.00 0.18 0.00 0.00 52.55 52.43 1jqb s ASP 4214Cb 0.13 0.17 0.02 0.00 1.07 0.00 0.00 42.92 44.31 1jqb s ASP 4214CO 0.81 -0.31 -0.07 -0.63 1.18 0.00 0.00 175.17 176.15 1jqb s ILE 4215N -1.24 0.79 0.06 0.77 -1.09 -1.26 -1.02 121.20 118.21 1jqb s ILE 4215Ca -0.13 -0.25 0.09 0.00 -2.23 0.00 0.00 60.65 58.12 1jqb s ILE 4215Cb -0.08 -0.77 -0.03 0.00 -1.58 0.00 0.00 42.46 40.00 1jqb s ILE 4215CO 0.01 0.29 -0.25 -0.76 -1.23 0.00 0.00 174.94 172.99 1jqb s LEU 4216N 0.95 2.19 -0.24 2.97 1.43 -0.27 -4.97 118.68 120.75 1jqb s LEU 4216Ca -0.10 -0.60 -0.08 0.00 -1.03 0.00 0.00 54.13 52.32 1jqb s LEU 4216Cb -0.15 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1jqb s LEU 4216CO 0.00 0.22 0.08 0.21 0.23 0.00 0.00 176.35 177.10 1jqb s ASN 4217N -1.36 5.34 0.00 2.29 3.84 -1.26 -1.38 114.94 122.41 1jqb s ASN 4217Ca 0.11 -0.12 -0.01 0.00 0.21 0.00 0.00 52.86 53.05 1jqb s ASN 4217Cb -0.10 -1.95 -0.05 0.00 -0.55 0.00 0.00 41.25 38.60 1jqb s ASN 4217CO 0.03 0.01 1.47 0.00 -2.79 0.00 0.00 177.10 175.82 1jqb n TYR 4218N 4.62 0.00 -2.05 0.43 4.11 -1.26 -2.47 117.16 120.53 1jqb n TYR 4218Ca -0.16 -0.65 -0.01 0.00 -0.00 0.00 0.00 57.90 57.09 1jqb n TYR 4218Cb 0.52 -0.60 -0.01 0.00 -0.00 0.00 0.00 39.34 39.25 1jqb n TYR 4218CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1jqb n LYS 4219N 2.02 0.00 -0.41 -3.48 5.02 -1.26 -4.87 118.16 115.19 1jqb n LYS 4219Ca 0.07 -0.65 0.06 0.00 -2.02 0.00 0.00 58.31 55.77 1jqb n LYS 4219Cb 0.35 -0.05 0.10 0.00 -0.02 0.00 0.00 35.03 35.41 1jqb n LYS 4219CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jqb n ASN 4220N 0.05 1.43 0.00 4.39 5.03 -1.03 -5.09 115.26 120.04 1jqb n ASN 4220Ca -0.04 -2.79 0.00 0.00 0.87 0.00 0.00 54.58 52.62 1jqb n ASN 4220Cb 0.66 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 1jqb n ASN 4220CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jqb n GLY 4221N -0.78 3.47 3.63 7.41 0.00 -1.26 -5.01 105.19 112.64 1jqb n GLY 4221Ca 0.11 -1.82 -0.55 0.00 0.00 0.00 0.00 46.02 43.76 1jqb n GLY 4221CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jqb n HIS 4222N -1.14 1.63 -0.24 1.61 8.25 -1.26 -4.80 115.22 119.28 1jqb n HIS 4222Ca 0.00 0.65 0.12 0.00 -0.26 0.00 0.00 57.72 58.23 1jqb n HIS 4222Cb 0.00 -2.35 0.41 0.00 1.12 0.00 0.00 29.99 29.16 1jqb n HIS 4222CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1jqb h ILE 4223N 3.95 0.84 -0.04 1.59 6.09 -1.94 -1.64 117.51 126.36 1jqb h ILE 4223Ca -0.47 -0.22 0.02 0.00 -1.37 0.00 0.00 64.86 62.82 1jqb h ILE 4223Cb 1.34 0.16 -0.02 0.00 0.47 0.00 0.00 36.82 38.76 1jqb h ILE 4223CO 0.83 0.12 -0.06 -0.33 -3.07 0.00 0.00 178.15 175.64 1jqb h GLU 4224N 0.63 -0.09 -0.39 2.19 3.07 -1.88 -1.08 114.58 117.03 1jqb h GLU 4224Ca 0.42 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.31 1jqb h GLU 4224Cb 0.71 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.61 1jqb h GLU 4224CO -0.17 -0.06 0.21 -0.44 -1.40 0.00 0.00 179.01 177.15 1jqb h ASP 4225N -0.09 0.33 -0.41 1.42 3.32 -1.68 -0.77 116.42 118.54 1jqb h ASP 4225Ca 0.04 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1jqb h ASP 4225Cb 0.14 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1jqb h ASP 4225CO -0.09 0.24 0.19 1.56 -1.72 0.00 0.00 179.24 179.42 1jqb h GLN 4226N 0.43 0.38 -0.50 3.56 4.20 -1.10 -0.19 115.11 121.89 1jqb h GLN 4226Ca 0.16 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1jqb h GLN 4226Cb 0.04 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1jqb h GLN 4226CO -0.09 0.25 0.33 0.28 -0.67 0.00 0.00 178.83 178.92 1jqb h VAL 4227N 0.39 1.11 -0.77 -0.54 2.07 -0.78 -0.90 116.25 116.82 1jqb h VAL 4227Ca 0.18 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1jqb h VAL 4227Cb 0.11 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1jqb h VAL 4227CO -0.14 0.12 0.41 0.24 0.02 0.00 0.00 177.57 178.22 1jqb h MET 4228N 0.66 1.08 0.10 1.57 2.86 -0.62 -0.85 114.93 119.74 1jqb h MET 4228Ca 0.19 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1jqb h MET 4228Cb -0.05 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.40 1jqb h MET 4228CO -0.06 0.80 -0.05 -0.22 1.06 0.00 0.00 176.91 178.45 1jqb h LYS 4229N 1.09 -0.13 -0.02 1.72 1.63 -0.45 1.05 116.57 121.45 1jqb h LYS 4229Ca 0.27 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 1jqb h LYS 4229Cb 0.05 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1jqb h LYS 4229CO -0.04 0.01 -0.02 -0.07 -3.45 0.00 0.00 179.45 175.88 1jqb h LEU 4230N -0.24 0.03 -3.42 5.20 3.38 -0.80 -2.31 115.31 117.15 1jqb h LEU 4230Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jqb h LEU 4230Cb 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1jqb h LEU 4230CO 0.02 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1jqb n THR 4231N -4.49 2.47 -3.85 0.22 -2.24 -0.36 -4.94 114.28 101.07 1jqb n THR 4231Ca -0.03 -1.44 -0.26 0.00 -2.27 0.00 0.00 64.05 60.05 1jqb n THR 4231Cb 0.12 -0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.19 1jqb n THR 4231CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jqb n ASN 4232N 0.53 -2.21 -0.10 3.42 2.85 -0.65 -0.94 115.26 118.15 1jqb n ASN 4232Ca 0.26 -0.86 -0.01 0.00 -0.11 0.00 0.00 54.58 53.86 1jqb n ASN 4232Cb 1.07 -3.71 -0.01 0.00 1.24 0.00 0.00 39.78 38.38 1jqb n ASN 4232CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jqb n GLY 4233N -1.68 0.27 0.05 8.20 0.00 0.35 -4.85 105.19 107.54 1jqb n GLY 4233Ca -0.18 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1jqb n GLY 4233CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jqb n LYS 4234N -0.39 0.38 -0.34 1.61 4.76 -0.11 -5.05 118.16 119.01 1jqb n LYS 4234Ca -0.01 0.03 0.05 0.00 -2.87 0.00 0.00 58.31 55.50 1jqb n LYS 4234Cb 0.37 -1.65 -0.01 0.00 -1.84 0.00 0.00 35.03 31.89 1jqb n LYS 4234CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jqb n GLY 4235N 1.32 -2.04 3.68 0.72 0.00 -1.26 -4.68 105.19 102.92 1jqb n GLY 4235Ca 0.01 -1.38 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 1jqb n GLY 4235CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jqb s VAL 4236N -1.03 3.41 0.10 1.61 -7.23 -0.18 -4.83 120.40 112.25 1jqb s VAL 4236Ca 0.00 -1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 1jqb s VAL 4236Cb 0.00 -2.93 -0.18 0.00 0.56 0.00 0.00 36.38 33.83 1jqb s VAL 4236CO 0.00 -0.32 1.27 0.44 -0.31 0.00 0.00 175.10 176.19 1jqb h ASP 4237N 1.76 0.88 -4.97 4.85 3.32 -1.79 0.18 116.42 120.65 1jqb h ASP 4237Ca -0.44 -0.63 -0.18 0.00 0.02 0.00 0.00 57.03 55.80 1jqb h ASP 4237Cb 1.25 -0.26 -0.19 0.00 0.22 0.00 0.00 39.33 40.35 1jqb h ASP 4237CO 0.61 1.42 -0.70 -0.13 -1.72 0.00 0.00 179.24 178.73 1jqb s ARG 4238N -3.55 0.48 -0.04 3.56 1.81 -0.77 -2.91 118.95 117.53 1jqb s ARG 4238Ca -0.09 -0.86 0.01 0.00 -1.72 0.00 0.00 55.73 53.06 1jqb s ARG 4238Cb 0.08 0.03 0.02 0.00 -0.45 0.00 0.00 34.95 34.64 1jqb s ARG 4238CO 0.90 -0.04 -0.02 0.08 -0.68 0.00 0.00 175.30 175.54 1jqb s VAL 4239N -2.27 0.33 -0.22 3.52 1.01 -0.92 -1.34 120.40 120.52 1jqb s VAL 4239Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1jqb s VAL 4239Cb -0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1jqb s VAL 4239CO -0.03 0.18 -0.02 -0.63 0.00 0.00 0.00 175.10 174.60 1jqb s ILE 4240N 0.96 3.68 -0.43 2.22 1.01 0.73 -0.76 121.20 128.62 1jqb s ILE 4240Ca -0.11 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 1jqb s ILE 4240Cb -0.14 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1jqb s ILE 4240CO -0.01 0.41 0.59 -0.04 0.00 0.00 0.00 174.94 175.90 1jqb s MET 4241N 1.31 3.23 0.00 2.79 -1.94 0.32 -0.80 119.30 124.21 1jqb s MET 4241Ca 0.04 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1jqb s MET 4241Cb -0.14 -3.95 0.00 0.00 2.01 0.00 0.00 34.83 32.74 1jqb s MET 4241CO -0.00 -0.97 0.69 0.00 -0.01 0.00 0.00 175.02 174.73 1jqb n ALA 4242N 6.10 1.88 -3.60 3.03 0.00 -0.10 -1.27 120.51 126.54 1jqb n ALA 4242Ca -0.03 -0.69 0.01 0.00 0.00 0.00 0.00 53.44 52.72 1jqb n ALA 4242Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1jqb n ALA 4242CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jqb s GLY 4243N -0.47 -0.38 0.00 0.00 0.00 -0.75 -4.46 107.32 101.26 1jqb s GLY 4243Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1jqb s GLY 4243CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.02 1jqb n GLY 4244N -0.33 -3.68 3.90 0.20 0.00 -1.26 -4.55 105.19 99.47 1jqb n GLY 4244Ca -0.05 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 1jqb n GLY 4244CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqb n GLY 4245N -0.02 -0.87 0.18 -0.02 0.00 -1.26 -4.95 105.19 98.26 1jqb n GLY 4245Ca 0.00 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.35 1jqb n GLY 4245CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jqb h SER 4246N -1.42 0.00 0.56 1.61 4.64 -1.93 -2.33 113.55 114.68 1jqb h SER 4246Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1jqb h SER 4246Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1jqb h SER 4246CO 0.32 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 177.33 1jqb h GLU 4247N 0.00 0.00 0.00 4.77 9.09 -1.94 -2.21 114.58 124.30 1jqb h GLU 4247Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jqb h GLU 4247Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1jqb h GLU 4247CO 0.00 0.00 0.00 1.79 0.05 0.00 0.00 179.01 180.85 1jqb h THR 4248N 0.00 0.00 -0.24 -1.06 1.35 -1.78 -1.98 112.91 109.19 1jqb h THR 4248Ca 0.00 -0.11 -0.04 0.00 -0.55 0.00 0.00 66.41 65.71 1jqb h THR 4248Cb 0.28 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1jqb h THR 4248CO 0.00 0.00 -0.01 0.25 -0.25 0.00 0.00 175.52 175.51 1jqb h LEU 4249N 0.00 0.42 -0.64 3.87 5.85 -1.63 -0.15 115.31 123.02 1jqb h LEU 4249Ca 0.00 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1jqb h LEU 4249Cb 0.11 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1jqb h LEU 4249CO 0.00 0.64 0.33 -1.28 -0.34 0.00 0.00 178.44 177.79 1jqb h SER 4250N 0.19 0.81 -0.73 1.25 0.87 -1.41 -1.24 113.55 113.29 1jqb h SER 4250Ca 0.07 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1jqb h SER 4250Cb 0.43 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1jqb h SER 4250CO 0.01 0.69 0.44 1.56 -0.53 0.00 0.00 176.83 179.01 1jqb h GLN 4251N 0.87 0.99 -0.38 2.24 4.20 -1.30 -1.49 115.11 120.24 1jqb h GLN 4251Ca 0.22 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1jqb h GLN 4251Cb 0.08 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1jqb h GLN 4251CO -0.03 0.70 0.20 0.00 -0.67 0.00 0.00 178.83 179.03 1jqb h ALA 4252N 1.23 0.49 -0.89 3.87 0.00 -0.58 -2.20 119.26 121.18 1jqb h ALA 4252Ca 0.26 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1jqb h ALA 4252Cb -0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1jqb h ALA 4252CO -0.05 0.02 0.58 0.28 0.00 0.00 0.00 179.25 180.08 1jqb h VAL 4253N 0.48 1.17 0.00 0.00 2.07 -0.84 -1.48 116.25 117.66 1jqb h VAL 4253Ca 0.13 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1jqb h VAL 4253Cb 0.07 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1jqb h VAL 4253CO -0.02 0.21 -0.30 0.11 0.02 0.00 0.00 177.57 177.59 1jqb h LYS 4254N 1.15 0.00 0.00 1.57 1.57 -1.03 -3.27 116.57 116.55 1jqb h LYS 4254Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1jqb h LYS 4254Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1jqb h LYS 4254CO -0.10 0.30 -1.49 0.00 -0.57 0.00 0.00 179.45 177.59 1jqb n MET 4255N -3.43 0.42 -3.22 3.15 0.00 -0.85 -4.95 117.12 108.23 1jqb n MET 4255Ca 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 57.70 57.27 1jqb n MET 4255Cb 0.48 -1.55 -0.06 0.00 0.00 0.00 0.00 33.22 32.09 1jqb n MET 4255CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1jqb s VAL 4256N -3.31 4.72 0.69 3.17 0.11 -0.59 -1.00 120.40 124.18 1jqb s VAL 4256Ca -0.01 0.96 -0.12 0.00 -2.93 0.00 0.00 61.98 59.88 1jqb s VAL 4256Cb 0.14 -3.73 0.01 0.00 -1.53 0.00 0.00 36.38 31.28 1jqb s VAL 4256CO 0.87 0.07 1.07 -0.54 -3.33 0.00 0.00 175.10 173.24 1jqb s LYS 4257N -2.36 2.86 0.34 1.54 1.02 0.64 -4.80 119.74 118.98 1jqb s LYS 4257Ca 0.45 1.08 -0.29 0.00 0.02 0.00 0.00 55.97 57.24 1jqb s LYS 4257Cb -0.14 -1.98 -0.11 0.00 -0.52 0.00 0.00 37.83 35.09 1jqb s LYS 4257CO 0.20 -1.17 1.43 -2.14 -0.92 0.00 0.00 175.35 172.75 1jqb s PRO 4258N -4.75 4.22 0.00 -1.68 0.02 -1.26 -0.78 135.00 130.77 1jqb s PRO 4258Ca 0.60 2.41 0.00 0.00 0.02 0.00 0.00 61.00 64.04 1jqb s PRO 4258Cb -0.16 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1jqb s PRO 4258CO 0.50 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 177.18 1jqb n GLY 4259N 0.97 1.34 3.31 0.52 0.00 0.09 -4.97 105.19 106.47 1jqb n GLY 4259Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1jqb n GLY 4259CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqb n GLY 4260N -2.00 -2.06 2.98 -0.02 0.00 0.04 -4.83 105.19 99.31 1jqb n GLY 4260Ca 0.00 -1.61 -0.19 0.00 0.00 0.00 0.00 46.02 44.22 1jqb n GLY 4260CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jqb s ILE 4261N -3.22 0.68 -0.19 -0.61 1.01 -1.14 -2.11 121.20 115.62 1jqb s ILE 4261Ca 0.66 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.97 1jqb s ILE 4261Cb -0.04 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 1jqb s ILE 4261CO 0.48 0.22 -0.08 -0.63 0.00 0.00 0.00 174.94 174.93 1jqb s ILE 4262N 0.19 3.24 -0.26 2.92 1.01 0.59 -2.17 121.20 126.72 1jqb s ILE 4262Ca -0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1jqb s ILE 4262Cb -0.08 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1jqb s ILE 4262CO 0.00 0.47 -0.05 -0.55 0.00 0.00 0.00 174.94 174.81 1jqb s SER 4263N 1.04 4.45 -0.16 3.58 0.15 0.07 0.13 113.70 122.96 1jqb s SER 4263Ca 0.00 -1.01 -0.13 0.00 0.70 0.00 0.00 55.95 55.51 1jqb s SER 4263Cb -0.15 -1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 62.45 1jqb s SER 4263CO -0.01 -0.16 0.26 0.21 1.20 0.00 0.00 173.24 174.74 1jqb s ASN 4264N 1.29 6.40 -0.01 5.45 2.47 0.57 -0.52 114.94 130.59 1jqb s ASN 4264Ca -0.02 0.47 0.02 0.00 0.42 0.00 0.00 52.86 53.75 1jqb s ASN 4264Cb -0.18 -2.16 0.03 0.00 -1.45 0.00 0.00 41.25 37.49 1jqb s ASN 4264CO -0.04 0.13 0.79 2.30 -3.72 0.00 0.00 177.10 176.56 1jqb n ILE 4265N 3.45 0.47 -3.04 -5.21 -5.35 -0.40 -2.41 119.36 106.88 1jqb n ILE 4265Ca -0.13 -0.51 -0.41 0.00 -0.27 0.00 0.00 62.75 61.43 1jqb n ILE 4265Cb 0.52 0.65 -0.05 0.00 -1.74 0.00 0.00 39.64 39.02 1jqb n ILE 4265CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jqb s ASN 4266N -0.74 6.75 -0.84 7.28 2.47 -1.01 -4.91 114.94 123.95 1jqb s ASN 4266Ca 0.03 0.92 -0.25 0.00 0.42 0.00 0.00 52.86 53.99 1jqb s ASN 4266Cb 0.03 -2.38 0.05 0.00 -1.45 0.00 0.00 41.25 37.49 1jqb s ASN 4266CO 0.00 -0.34 1.30 -0.47 -3.72 0.00 0.00 177.10 173.87 1jqb s TYR 4267N 2.13 2.46 -0.57 0.43 5.04 -1.26 -4.96 117.35 120.63 1jqb s TYR 4267Ca 0.31 -0.46 -0.28 0.00 -2.44 0.00 0.00 57.07 54.21 1jqb s TYR 4267Cb -0.16 -4.60 0.01 0.00 0.35 0.00 0.00 41.96 37.56 1jqb s TYR 4267CO 0.10 -1.95 1.53 -1.01 -1.34 0.00 0.00 175.55 172.88 1jqb s HIS 4268N 5.11 2.12 -1.69 4.97 3.76 -1.26 -4.88 115.29 123.41 1jqb s HIS 4268Ca 0.37 0.50 0.21 0.00 -0.15 0.00 0.00 55.06 56.00 1jqb s HIS 4268Cb -0.06 -4.33 0.66 0.00 1.11 0.00 0.00 32.58 29.96 1jqb s HIS 4268CO 0.04 -2.14 1.56 0.41 -0.85 0.00 0.00 174.74 173.77 1jqb n GLY 4269N 5.37 2.59 3.22 -2.22 0.00 -1.26 -4.98 105.19 107.91 1jqb n GLY 4269Ca 0.14 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1jqb n GLY 4269CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jqb s SER 4270N -0.98 0.06 0.00 1.61 0.15 -1.26 -4.32 113.70 108.96 1jqb s SER 4270Ca 0.49 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1jqb s SER 4270Cb 0.27 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1jqb s SER 4270CO 0.30 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1jqb n GLY 4271N -0.04 -0.58 0.08 9.45 0.00 -1.26 -4.84 105.19 107.99 1jqb n GLY 4271Ca -0.15 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 1jqb n GLY 4271CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jqb h ASP 4272N 0.00 0.11 -5.11 1.61 5.19 -2.02 -3.48 116.42 112.72 1jqb h ASP 4272Ca 0.00 -0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1jqb h ASP 4272Cb 0.00 -0.03 -0.07 0.00 0.18 0.00 0.00 39.33 39.41 1jqb h ASP 4272CO 0.00 1.10 0.07 0.00 -3.12 0.00 0.00 179.24 177.29 1jqb s ALA 4273N -2.67 -0.78 -0.11 3.45 0.00 -1.26 -5.15 121.76 115.24 1jqb s ALA 4273Ca -0.02 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1jqb s ALA 4273Cb 0.09 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 1jqb s ALA 4273CO 0.83 -0.95 -0.18 -0.51 0.00 0.00 0.00 175.76 174.96 1jqb s LEU 4274N -2.96 2.45 -0.03 0.00 1.02 -1.26 -4.97 118.68 112.93 1jqb s LEU 4274Ca 0.16 -0.41 -0.13 0.00 0.02 0.00 0.00 54.13 53.77 1jqb s LEU 4274Cb -0.03 -1.52 -0.05 0.00 0.02 0.00 0.00 46.19 44.60 1jqb s LEU 4274CO 0.08 0.18 0.35 -0.76 0.02 0.00 0.00 176.35 176.21 1jqb s LEU 4275N 0.24 4.46 -0.29 1.79 1.02 -1.26 -5.07 118.68 119.56 1jqb s LEU 4275Ca -0.12 0.85 -0.06 0.00 0.02 0.00 0.00 54.13 54.83 1jqb s LEU 4275Cb -0.16 -2.47 0.02 0.00 0.02 0.00 0.00 46.19 43.60 1jqb s LEU 4275CO 0.06 0.34 0.06 -0.63 0.02 0.00 0.00 176.35 176.20 1jqb s ILE 4276N -1.05 3.69 -0.11 -0.59 1.01 -1.26 -3.55 121.20 119.34 1jqb s ILE 4276Ca 0.22 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 1jqb s ILE 4276Cb -0.16 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 1jqb s ILE 4276CO 0.11 0.05 1.96 -2.16 0.00 0.00 0.00 174.94 174.90 1jqb s PRO 4277N 1.44 3.73 0.14 2.79 0.04 -1.26 -4.89 135.00 136.99 1jqb s PRO 4277Ca 0.01 2.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.98 1jqb s PRO 4277Cb -0.18 -4.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 1jqb s PRO 4277CO 0.01 -1.41 1.60 -0.09 0.04 0.00 0.00 177.00 177.16 1jqb h ARG 4278N 12.05 -0.38 0.12 4.56 2.43 -1.97 -2.44 114.38 128.76 1jqb h ARG 4278Ca -0.43 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.79 1jqb h ARG 4278Cb 1.22 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.82 1jqb h ARG 4278CO 0.96 -0.25 -0.28 0.28 -1.51 0.00 0.00 179.97 179.17 1jqb h VAL 4279N -0.40 0.39 0.00 0.20 2.07 -1.97 -1.33 116.25 115.22 1jqb h VAL 4279Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1jqb h VAL 4279Cb 0.56 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1jqb h VAL 4279CO -0.39 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.58 1jqb n GLU 4280N -5.39 0.02 -0.91 1.57 4.71 -1.18 -1.34 120.64 118.11 1jqb n GLU 4280Ca -0.07 0.28 0.06 0.00 -0.01 0.00 0.00 57.16 57.42 1jqb n GLU 4280Cb 0.30 -1.50 0.39 0.00 -1.01 0.00 0.00 31.44 29.63 1jqb n GLU 4280CO 0.00 0.00 0.00 1.87 0.09 0.00 0.00 177.13 179.09 1jqb n TRP 4281N -1.48 2.11 -3.37 -0.32 -0.00 -0.90 -4.75 117.44 108.73 1jqb n TRP 4281Ca 0.03 -0.79 -0.24 0.00 -0.00 0.00 0.00 57.50 56.50 1jqb n TRP 4281Cb 0.14 -0.53 0.01 0.00 -0.00 0.00 0.00 31.31 30.93 1jqb n TRP 4281CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1jqb n GLY 4282N 0.50 -0.49 2.42 5.87 0.00 -0.45 -0.26 105.19 112.78 1jqb n GLY 4282Ca 0.29 0.11 -0.19 0.00 0.00 0.00 0.00 46.02 46.24 1jqb n GLY 4282CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n GLY 4284N -0.82 0.58 0.09 0.00 0.00 0.64 -4.94 105.19 100.74 1jqb n GLY 4284Ca -0.22 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.19 1jqb n GLY 4284CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jqb n MET 4285N -2.70 1.31 -0.10 1.61 2.81 -0.34 -4.77 117.12 114.94 1jqb n MET 4285Ca 0.00 -1.35 0.08 0.00 -1.81 0.00 0.00 57.70 54.62 1jqb n MET 4285Cb 0.00 -0.87 0.29 0.00 -0.71 0.00 0.00 33.22 31.93 1jqb n MET 4285CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jqb n ALA 4286N -0.46 2.50 -3.56 3.04 0.00 -1.21 -4.91 120.51 115.91 1jqb n ALA 4286Ca 0.03 -0.46 -0.26 0.00 0.00 0.00 0.00 53.44 52.75 1jqb n ALA 4286Cb 0.47 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.86 1jqb n ALA 4286CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jqb n HIS 4287N 0.18 -1.97 -3.24 0.00 8.25 -1.26 -0.73 115.22 116.45 1jqb n HIS 4287Ca 0.13 0.64 -0.46 0.00 -0.26 0.00 0.00 57.72 57.77 1jqb n HIS 4287Cb 0.26 -3.46 -0.02 0.00 1.12 0.00 0.00 29.99 27.89 1jqb n HIS 4287CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1jqb s LYS 4288N -6.24 3.67 0.27 -0.41 1.02 -1.26 -1.93 119.74 114.86 1jqb s LYS 4288Ca 0.50 -2.40 -0.29 0.00 0.02 0.00 0.00 55.97 53.80 1jqb s LYS 4288Cb -0.26 -4.55 -0.10 0.00 -0.52 0.00 0.00 37.83 32.41 1jqb s LYS 4288CO 0.62 -1.39 1.32 0.99 -0.92 0.00 0.00 175.35 175.97 1jqb s THR 4289N 0.55 2.89 -0.17 2.17 2.01 -0.90 -4.89 115.64 117.31 1jqb s THR 4289Ca 0.22 0.82 0.01 0.00 0.31 0.00 0.00 61.69 63.05 1jqb s THR 4289Cb -0.09 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1jqb s THR 4289CO -0.09 0.16 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.20 1jqb s ILE 4290N -0.57 2.36 0.26 1.82 1.01 -1.26 -0.30 121.20 124.53 1jqb s ILE 4290Ca 0.53 -0.85 0.11 0.00 0.00 0.00 0.00 60.65 60.43 1jqb s ILE 4290Cb -0.39 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1jqb s ILE 4290CO 0.46 0.52 -0.19 -0.54 0.00 0.00 0.00 174.94 175.19 1jqb s LYS 4291N 1.11 1.60 -0.30 2.79 1.02 0.12 -4.97 119.74 121.12 1jqb s LYS 4291Ca 0.00 -1.73 -0.13 0.00 0.02 0.00 0.00 55.97 54.14 1jqb s LYS 4291Cb -0.14 -1.63 0.16 0.00 -0.52 0.00 0.00 37.83 35.69 1jqb s LYS 4291CO -0.07 0.30 0.90 0.20 -0.92 0.00 0.00 175.35 175.77 1jqb s GLY 4292N -3.46 -0.36 0.02 -3.33 0.00 -1.26 -0.31 107.32 98.61 1jqb s GLY 4292Ca 0.28 2.81 -0.16 0.00 0.00 0.00 0.00 44.72 47.65 1jqb s GLY 4292CO 0.13 3.27 0.34 -0.32 0.00 0.00 0.00 173.10 176.52 1jqb s GLY 4293N 2.61 -0.18 0.44 0.20 0.00 -1.01 -4.96 107.32 104.41 1jqb s GLY 4293Ca -0.01 0.23 -0.24 0.00 0.00 0.00 0.00 44.72 44.70 1jqb s GLY 4293CO -0.17 0.01 1.23 -2.27 0.00 0.00 0.00 173.10 171.89 1jqb s LEU 4294N -1.75 4.10 0.42 0.66 2.96 -1.26 -4.76 118.68 119.05 1jqb s LEU 4294Ca -0.08 2.47 -0.25 0.00 -0.22 0.00 0.00 54.13 56.04 1jqb s LEU 4294Cb -0.02 -4.09 -0.08 0.00 0.50 0.00 0.00 46.19 42.49 1jqb s LEU 4294CO 0.00 -0.91 1.25 0.00 -1.32 0.00 0.00 176.35 175.37 1jqb s PRO 4296N -2.38 3.27 0.00 0.00 0.02 -1.26 -4.78 135.00 129.87 1jqb s PRO 4296Ca 0.59 1.28 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1jqb s PRO 4296Cb -0.35 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.15 1jqb s PRO 4296CO 0.44 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1jqb n GLY 4297N -0.75 5.63 0.00 0.52 0.00 -1.26 -4.74 105.19 104.59 1jqb n GLY 4297Ca 0.09 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1jqb n GLY 4297CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqb n GLY 4298N 1.01 0.02 0.16 -0.02 0.00 -0.67 -4.35 105.19 101.34 1jqb n GLY 4298Ca 0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 1jqb n GLY 4298CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jqb h ARG 4299N 0.00 0.15 -0.28 1.61 2.43 -1.14 -2.19 114.38 114.96 1jqb h ARG 4299Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1jqb h ARG 4299Cb 0.00 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1jqb h ARG 4299CO 0.00 0.10 0.10 1.25 -1.51 0.00 0.00 179.97 179.91 1jqb h LEU 4300N 0.16 0.13 -0.51 3.80 5.85 -1.86 0.56 115.31 123.44 1jqb h LEU 4300Ca 0.18 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1jqb h LEU 4300Cb 0.23 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1jqb h LEU 4300CO -0.27 0.11 0.33 -0.09 -0.34 0.00 0.00 178.44 178.19 1jqb h ARG 4301N 0.23 0.66 -0.39 1.25 9.65 -1.72 -0.21 114.38 123.85 1jqb h ARG 4301Ca 0.12 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.84 1jqb h ARG 4301Cb 0.08 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1jqb h ARG 4301CO -0.11 0.44 -0.25 0.00 2.80 0.00 0.00 179.97 182.84 1jqb h ALA 4302N 1.19 0.82 -0.25 2.80 0.00 -1.09 -1.55 119.26 121.17 1jqb h ALA 4302Ca 0.19 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1jqb h ALA 4302Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1jqb h ALA 4302CO -0.05 0.64 -0.41 0.93 0.00 0.00 0.00 179.25 180.37 1jqb h GLU 4303N 0.69 0.61 -0.26 0.00 5.08 -0.62 0.47 114.58 120.56 1jqb h GLU 4303Ca 0.09 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1jqb h GLU 4303Cb 0.78 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1jqb h GLU 4303CO 0.06 0.91 -0.11 0.00 -1.00 0.00 0.00 179.01 178.87 1jqb h ARG 4304N 0.50 0.53 -0.46 2.33 3.08 -0.88 -0.61 114.38 118.87 1jqb h ARG 4304Ca 0.04 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 1jqb h ARG 4304Cb 0.92 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1jqb h ARG 4304CO 0.08 0.77 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.42 1jqb h LEU 4305N 0.26 1.03 -0.10 3.04 3.38 -1.25 -1.95 115.31 119.71 1jqb h LEU 4305Ca 0.06 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1jqb h LEU 4305Cb 0.61 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1jqb h LEU 4305CO 0.03 1.22 0.01 -0.09 0.09 0.00 0.00 178.44 179.71 1jqb h ARG 4306N 0.84 0.05 -0.50 1.13 2.43 -0.84 -2.05 114.38 115.45 1jqb h ARG 4306Ca 0.10 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1jqb h ARG 4306Cb 0.86 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1jqb h ARG 4306CO 0.08 0.04 0.29 -0.44 -1.51 0.00 0.00 179.97 178.42 1jqb h ASP 4307N 0.05 0.59 -0.86 -3.80 3.32 -0.96 -0.44 116.42 114.33 1jqb h ASP 4307Ca 0.05 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1jqb h ASP 4307Cb 0.04 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1jqb h ASP 4307CO -0.07 0.46 0.42 0.24 -1.72 0.00 0.00 179.24 178.58 1jqb h MET 4308N 0.68 1.23 -0.21 3.56 2.86 -0.77 0.42 114.93 122.70 1jqb h MET 4308Ca 0.18 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1jqb h MET 4308Cb -0.01 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 1jqb h MET 4308CO -0.03 0.93 0.05 0.28 1.06 0.00 0.00 176.91 179.20 1jqb h VAL 4309N 1.21 1.20 -0.28 -2.22 2.07 -0.50 -0.52 116.25 117.22 1jqb h VAL 4309Ca 0.30 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1jqb h VAL 4309Cb 0.10 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1jqb h VAL 4309CO -0.04 0.21 0.19 0.58 0.02 0.00 0.00 177.57 178.53 1jqb h VAL 4310N 0.16 1.05 -0.38 2.57 2.07 -0.74 -0.38 116.25 120.59 1jqb h VAL 4310Ca 0.07 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jqb h VAL 4310Cb 0.26 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1jqb h VAL 4310CO 0.00 0.06 0.00 -1.22 0.02 0.00 0.00 177.57 176.43 1jqb n TYR 4311N -4.50 1.01 -3.22 1.57 4.01 0.10 -4.93 117.16 111.21 1jqb n TYR 4311Ca 0.02 -0.38 -0.23 0.00 -0.16 0.00 0.00 57.90 57.15 1jqb n TYR 4311Cb 0.10 -0.23 0.01 0.00 -0.31 0.00 0.00 39.34 38.91 1jqb n TYR 4311CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1jqb n ASN 4312N 0.52 -4.57 0.17 7.72 5.03 -0.15 -4.86 115.26 119.12 1jqb n ASN 4312Ca 0.16 -0.34 0.05 0.00 0.87 0.00 0.00 54.58 55.32 1jqb n ASN 4312Cb 0.66 -3.74 0.23 0.00 -1.02 0.00 0.00 39.78 35.91 1jqb n ASN 4312CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1jqb h ARG 4313N -1.10 0.00 -2.89 3.52 2.47 -1.33 -3.44 114.38 111.61 1jqb h ARG 4313Ca -0.46 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.13 1jqb h ARG 4313Cb 1.31 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.40 1jqb h ARG 4313CO 0.54 0.42 -0.27 0.54 0.56 0.00 0.00 179.97 181.76 1jqb s VAL 4314N -3.36 0.02 -0.45 2.04 0.11 -1.26 -5.05 120.40 112.44 1jqb s VAL 4314Ca 0.01 -0.15 -0.12 0.00 -2.93 0.00 0.00 61.98 58.80 1jqb s VAL 4314Cb 0.10 -0.56 0.09 0.00 -1.53 0.00 0.00 36.38 34.48 1jqb s VAL 4314CO 0.71 -0.08 0.33 -0.62 -3.33 0.00 0.00 175.10 172.10 1jqb s ASP 4315N -0.32 5.84 0.11 3.54 -1.08 -1.26 -4.70 116.67 118.79 1jqb s ASP 4315Ca -0.05 -1.53 0.25 0.00 -0.52 0.00 0.00 52.55 50.70 1jqb s ASP 4315Cb -0.03 -2.07 0.96 0.00 -1.46 0.00 0.00 42.92 40.32 1jqb s ASP 4315CO 0.02 -0.62 1.77 0.18 0.52 0.00 0.00 175.17 177.05 1jqb n LEU 4316N 5.03 0.37 0.03 -1.34 4.77 -1.26 -3.85 117.00 120.75 1jqb n LEU 4316Ca -0.11 0.55 0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1jqb n LEU 4316Cb 0.43 -0.45 0.54 0.00 -2.33 0.00 0.00 43.42 41.60 1jqb n LEU 4316CO 0.43 -0.18 1.15 0.77 -1.33 0.00 0.00 177.39 178.23 1jqb h SER 4317N 0.00 0.26 0.14 -1.43 4.64 -1.92 -2.05 113.55 113.19 1jqb h SER 4317Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jqb h SER 4317Cb 0.52 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1jqb h SER 4317CO 0.00 0.17 0.00 0.11 -0.87 0.00 0.00 176.83 176.24 1jqb h LYS 4318N 0.30 0.00 0.01 4.77 1.79 -2.02 -2.35 116.57 119.06 1jqb h LYS 4318Ca 0.17 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.44 1jqb h LYS 4318Cb 0.30 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 1jqb h LYS 4318CO -0.04 0.00 -0.94 -0.07 -1.08 0.00 0.00 179.45 177.32 1jqb h LEU 4319N 0.00 0.04 -8.46 2.94 3.38 -1.65 -3.43 115.31 108.12 1jqb h LEU 4319Ca 0.00 -0.04 -0.64 0.00 0.09 0.00 0.00 57.88 57.29 1jqb h LEU 4319Cb 0.07 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 40.66 1jqb h LEU 4319CO 0.00 0.95 0.32 -0.69 0.09 0.00 0.00 178.44 179.12 1jqb s VAL 4320N -2.89 4.62 -0.19 1.22 1.01 -0.89 -1.08 120.40 122.20 1jqb s VAL 4320Ca 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 61.98 62.08 1jqb s VAL 4320Cb 0.10 -4.42 -0.24 0.00 0.00 0.00 0.00 36.38 31.83 1jqb s VAL 4320CO 0.81 -0.95 0.08 0.35 0.00 0.00 0.00 175.10 175.40 1jqb n THR 4321N 5.94 1.43 -4.10 3.92 -2.24 -0.61 -4.92 114.28 113.70 1jqb n THR 4321Ca -0.02 -0.81 -0.33 0.00 -2.27 0.00 0.00 64.05 60.63 1jqb n THR 4321Cb 0.47 -0.69 -0.16 0.00 -2.10 0.00 0.00 70.33 67.85 1jqb n THR 4321CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1jqb s HIS 4322N -2.51 2.82 -0.12 4.78 3.76 -1.03 -5.02 115.29 117.97 1jqb s HIS 4322Ca -0.14 -1.63 0.02 0.00 -0.15 0.00 0.00 55.06 53.17 1jqb s HIS 4322Cb 0.07 -1.94 -0.00 0.00 1.11 0.00 0.00 32.58 31.82 1jqb s HIS 4322CO 0.79 -0.79 -0.21 0.08 -0.85 0.00 0.00 174.74 173.76 1jqb s VAL 4323N 1.30 2.29 0.19 -0.90 1.01 -1.26 0.17 120.40 123.20 1jqb s VAL 4323Ca 0.04 -0.92 0.11 0.00 0.00 0.00 0.00 61.98 61.21 1jqb s VAL 4323Cb -0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1jqb s VAL 4323CO -0.12 0.55 -0.23 -0.31 0.00 0.00 0.00 175.10 174.99 1jqb s TYR 4324N 0.53 2.20 -0.18 5.22 1.51 0.33 -4.97 117.35 121.98 1jqb s TYR 4324Ca -0.13 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1jqb s TYR 4324Cb -0.17 -1.09 0.03 0.00 -0.11 0.00 0.00 41.96 40.63 1jqb s TYR 4324CO 0.05 0.47 -0.16 -1.01 -1.11 0.00 0.00 175.55 173.79 1jqb s HIS 4325N -1.76 2.61 0.00 2.71 3.76 -1.26 0.17 115.29 121.52 1jqb s HIS 4325Ca 0.20 -1.61 0.00 0.00 -0.15 0.00 0.00 55.06 53.50 1jqb s HIS 4325Cb -0.07 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.83 1jqb s HIS 4325CO 0.09 -0.77 0.00 0.41 -0.85 0.00 0.00 174.74 173.62 1jqb n GLY 4326N 4.65 3.87 0.30 -2.22 0.00 0.06 -4.88 105.19 106.96 1jqb n GLY 4326Ca -0.18 -1.16 0.10 0.00 0.00 0.00 0.00 46.02 44.79 1jqb n GLY 4326CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jqb h PHE 4327N 0.00 0.29 -0.46 1.61 3.04 -1.82 -1.64 116.94 117.97 1jqb h PHE 4327Ca 0.00 0.05 0.13 0.00 3.98 0.00 0.00 57.97 62.13 1jqb h PHE 4327Cb 0.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1jqb h PHE 4327CO 0.00 -0.17 0.44 -0.44 -2.02 0.00 0.00 178.31 176.11 1jqb h ASP 4328N 0.22 0.00 0.28 0.41 3.32 -1.98 -1.51 116.42 117.15 1jqb h ASP 4328Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1jqb h ASP 4328Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1jqb h ASP 4328CO -0.62 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.31 1jqb n HIS 4329N -3.88 0.00 -0.23 4.55 8.25 -0.61 -3.52 115.22 119.77 1jqb n HIS 4329Ca 0.08 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1jqb n HIS 4329Cb 0.63 -0.23 0.21 0.00 1.12 0.00 0.00 29.99 31.73 1jqb n HIS 4329CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1jqb h ILE 4330N 0.00 1.21 0.92 1.59 2.04 -1.46 -0.79 117.51 121.02 1jqb h ILE 4330Ca 0.00 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1jqb h ILE 4330Cb 0.14 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1jqb h ILE 4330CO 0.00 0.21 -0.45 -0.08 0.00 0.00 0.00 178.15 177.83 1jqb h GLU 4331N 1.05 -1.20 -0.74 2.37 4.81 -1.82 -1.38 114.58 117.67 1jqb h GLU 4331Ca 0.28 0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.65 1jqb h GLU 4331Cb -0.07 0.27 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 1jqb h GLU 4331CO -0.06 -0.80 0.44 1.49 -0.73 0.00 0.00 179.01 179.36 1jqb h GLU 4332N -1.25 0.80 -0.22 1.92 4.81 -1.77 -1.69 114.58 117.18 1jqb h GLU 4332Ca -0.13 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1jqb h GLU 4332Cb 0.96 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 1jqb h GLU 4332CO 0.20 0.53 0.05 0.00 -0.73 0.00 0.00 179.01 179.05 1jqb h ALA 4333N 1.36 0.22 -0.73 2.92 0.00 -1.06 -2.27 119.26 119.70 1jqb h ALA 4333Ca 0.32 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1jqb h ALA 4333Cb 0.15 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1jqb h ALA 4333CO -0.16 -0.38 0.49 1.25 0.00 0.00 0.00 179.25 180.44 1jqb h LEU 4334N 0.13 0.84 -2.05 0.00 5.85 -0.77 -1.65 115.31 117.66 1jqb h LEU 4334Ca 0.10 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jqb h LEU 4334Cb 0.09 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1jqb h LEU 4334CO -0.13 0.61 0.00 -0.07 -0.34 0.00 0.00 178.44 178.51 1jqb h LEU 4335N 0.99 0.00 -0.40 2.25 3.38 -0.84 -1.69 115.31 119.00 1jqb h LEU 4335Ca 0.27 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 1jqb h LEU 4335Cb -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1jqb h LEU 4335CO -0.06 0.00 -0.50 -0.07 0.09 0.00 0.00 178.44 177.90 1jqb h LEU 4336N 0.00 0.87 -1.74 1.67 3.38 -0.74 -1.97 115.31 116.78 1jqb h LEU 4336Ca 0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1jqb h LEU 4336Cb 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1jqb h LEU 4336CO 0.00 1.22 0.00 0.24 0.09 0.00 0.00 178.44 179.99 1jqb h MET 4337N 0.62 0.00 0.00 1.13 2.86 -1.34 1.68 114.93 119.88 1jqb h MET 4337Ca 0.03 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.47 1jqb h MET 4337Cb 1.08 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 1jqb h MET 4337CO 0.11 0.00 -1.09 -0.22 1.06 0.00 0.00 176.91 176.77 1jqb h LYS 4338N 0.00 0.00 0.00 1.72 3.64 -1.50 -3.39 116.57 117.04 1jqb h LYS 4338Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1jqb h LYS 4338Cb 0.18 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1jqb h LYS 4338CO 0.00 0.90 -0.87 -0.44 -2.27 0.00 0.00 179.45 176.77 1jqb h ASP 4339N -1.00 0.00 -6.03 4.20 3.32 -1.12 -3.49 116.42 112.30 1jqb h ASP 4339Ca -0.29 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.61 1jqb h ASP 4339Cb 1.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.75 1jqb h ASP 4339CO -0.18 0.87 -0.98 0.29 -1.72 0.00 0.00 179.24 177.52 1jqb n LYS 4340N -3.51 -1.83 -1.70 3.56 5.02 0.57 -4.96 118.16 115.31 1jqb n LYS 4340Ca -0.00 1.61 -0.31 0.00 -2.02 0.00 0.00 58.31 57.58 1jqb n LYS 4340Cb 0.83 -3.04 0.04 0.00 -0.02 0.00 0.00 35.03 32.84 1jqb n LYS 4340CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1jqb s PRO 4341N -1.98 3.09 0.37 1.97 0.04 -1.26 -4.96 135.00 132.28 1jqb s PRO 4341Ca 0.20 0.98 0.10 0.00 0.04 0.00 0.00 61.00 62.31 1jqb s PRO 4341Cb -0.03 -2.01 0.85 0.00 0.04 0.00 0.00 34.50 33.35 1jqb s PRO 4341CO 0.61 -0.98 1.91 0.87 0.04 0.00 0.00 177.00 179.45 1jqb h LYS 4342N -0.43 0.63 -0.79 4.56 1.79 -2.00 -2.37 116.57 117.95 1jqb h LYS 4342Ca -0.44 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1jqb h LYS 4342Cb 1.21 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1jqb h LYS 4342CO 0.57 0.41 0.01 -0.40 -1.08 0.00 0.00 179.45 178.96 1jqb n ASP 4343N -4.52 3.45 -4.35 0.86 5.68 -1.26 -4.49 116.55 111.92 1jqb n ASP 4343Ca 0.15 -2.49 -0.32 0.00 -0.50 0.00 0.00 54.79 51.63 1jqb n ASP 4343Cb 0.41 -0.60 -0.15 0.00 -1.14 0.00 0.00 41.12 39.64 1jqb n ASP 4343CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1jqb s LEU 4344N -1.43 2.50 0.00 -2.12 2.96 -0.90 -4.84 118.68 114.86 1jqb s LEU 4344Ca 0.28 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1jqb s LEU 4344Cb 0.22 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.38 1jqb s LEU 4344CO 0.08 0.22 0.00 -0.38 -1.32 0.00 0.00 176.35 174.95 1jqb n ILE 4345N 3.14 0.00 -4.22 6.68 5.41 -1.26 -4.87 119.36 124.24 1jqb n ILE 4345Ca -0.18 0.03 -0.19 0.00 1.00 0.00 0.00 62.75 63.42 1jqb n ILE 4345Cb 0.52 -0.78 -0.12 0.00 -0.71 0.00 0.00 39.64 38.55 1jqb n ILE 4345CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1jqb s LYS 4346N -0.37 0.86 -0.02 0.38 -0.14 -0.24 -4.73 119.74 115.49 1jqb s LYS 4346Ca 0.00 -0.92 0.06 0.00 -1.36 0.00 0.00 55.97 53.75 1jqb s LYS 4346Cb 0.00 -0.88 -0.03 0.00 -1.68 0.00 0.00 37.83 35.24 1jqb s LYS 4346CO 0.00 0.20 -0.19 0.00 -0.76 0.00 0.00 175.35 174.60 1jqb s ALA 4347N -1.17 2.49 -0.07 5.17 0.00 -1.26 -1.58 121.76 125.35 1jqb s ALA 4347Ca -0.01 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1jqb s ALA 4347Cb -0.09 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1jqb s ALA 4347CO 0.02 0.55 -0.14 0.08 0.00 0.00 0.00 175.76 176.27 1jqb s VAL 4348N -0.75 1.27 -0.33 0.00 1.01 0.13 -4.00 120.40 117.72 1jqb s VAL 4348Ca 0.12 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 1jqb s VAL 4348Cb -0.10 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1jqb s VAL 4348CO 0.01 0.38 0.14 -0.69 0.00 0.00 0.00 175.10 174.95 1jqb s VAL 4349N 0.55 4.28 -0.23 2.92 1.01 0.61 -0.51 120.40 129.03 1jqb s VAL 4349Ca -0.14 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1jqb s VAL 4349Cb -0.16 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1jqb s VAL 4349CO 0.04 -0.09 0.54 -0.63 0.00 0.00 0.00 175.10 174.96 1jqb s ILE 4350N 1.52 5.07 -2.00 2.22 1.01 0.13 -1.47 121.20 127.68 1jqb s ILE 4350Ca 0.02 0.96 0.10 0.00 0.00 0.00 0.00 60.65 61.73 1jqb s ILE 4350Cb -0.18 -3.85 0.27 0.00 0.01 0.00 0.00 42.46 38.71 1jqb s ILE 4350CO 0.05 0.12 1.02 0.18 0.00 0.00 0.00 174.94 176.31