#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rj3 h ASP 4005N 0.00 0.00 -3.00 -3.46 3.32 -1.39 -3.47 116.42 108.42 2rj3 h ASP 4005Ca 0.00 -0.11 -0.64 0.00 0.02 0.00 0.00 57.03 56.30 2rj3 h ASP 4005Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.37 2rj3 h ASP 4005CO 0.00 0.06 -0.81 0.68 -1.72 0.00 0.00 179.24 177.45 2rj3 s VAL 4006N -3.27 2.35 0.30 -1.35 -7.23 -1.23 -5.06 120.40 104.92 2rj3 s VAL 4006Ca 0.03 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.16 2rj3 s VAL 4006Cb 0.11 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.94 2rj3 s VAL 4006CO 0.76 -0.19 1.70 0.15 -0.31 0.00 0.00 175.10 177.21 2rj3 h PHE 4007N 3.00 0.25 0.00 2.82 3.57 -1.95 -3.38 116.94 121.25 2rj3 h PHE 4007Ca -0.45 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 60.88 2rj3 h PHE 4007Cb 1.22 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2rj3 h PHE 4007CO 0.71 0.61 -1.39 0.72 -2.23 0.00 0.00 178.31 176.73 2rj3 n HIS 4008N -4.01 0.00 0.42 0.41 8.25 -1.26 -4.78 115.22 114.25 2rj3 n HIS 4008Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 2rj3 n HIS 4008Cb 0.49 -0.28 0.16 0.00 1.12 0.00 0.00 29.99 31.48 2rj3 n HIS 4008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2rj3 h LEU 4009N 0.00 0.00 -0.97 2.41 3.38 -1.90 -3.44 115.31 114.79 2rj3 h LEU 4009Ca -0.16 -0.11 -0.29 0.00 0.09 0.00 0.00 57.88 57.42 2rj3 h LEU 4009Cb 1.33 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.19 2rj3 h LEU 4009CO 0.00 0.05 -0.50 0.61 0.09 0.00 0.00 178.44 178.69 2rj3 n GLY 4010N 1.27 -0.15 3.14 0.83 0.00 -1.26 -4.66 105.19 104.36 2rj3 n GLY 4010Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2rj3 n GLY 4010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rj3 s LEU 4011N -5.58 2.09 0.24 0.99 1.43 -1.26 -4.14 118.68 112.45 2rj3 s LEU 4011Ca 0.39 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 2rj3 s LEU 4011Cb -0.17 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.29 2rj3 s LEU 4011CO 0.53 0.13 0.39 0.42 0.23 0.00 0.00 176.35 178.06 2rj3 s THR 4012N -0.55 5.23 0.42 5.49 -4.23 -1.26 -0.90 115.64 119.84 2rj3 s THR 4012Ca 0.05 -0.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.93 2rj3 s THR 4012Cb -0.07 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 70.24 2rj3 s THR 4012CO 0.00 -0.32 2.03 0.50 -0.54 0.00 0.00 174.62 176.30 2rj3 h LYS 4013N 1.36 0.46 0.00 3.99 3.64 -1.96 -0.94 116.57 123.12 2rj3 h LYS 4013Ca -0.50 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 2rj3 h LYS 4013Cb 1.22 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2rj3 h LYS 4013CO 0.63 0.30 -0.17 -0.97 -2.27 0.00 0.00 179.45 176.97 2rj3 h ASN 4014N 0.47 0.00 0.05 4.20 -1.24 -1.95 -2.93 115.58 114.19 2rj3 h ASN 4014Ca 0.19 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.16 2rj3 h ASN 4014Cb 0.18 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 2rj3 h ASN 4014CO -0.05 0.17 -0.12 0.44 -1.29 0.00 0.00 177.43 176.58 2rj3 h ASP 4015N 0.00 0.15 1.48 1.15 3.45 -1.56 -3.02 116.42 118.06 2rj3 h ASP 4015Ca -0.00 -0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.38 2rj3 h ASP 4015Cb 0.46 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 2rj3 h ASP 4015CO 0.02 0.29 -0.25 -0.07 -1.57 0.00 0.00 179.24 177.66 2rj3 h LEU 4016N 0.15 0.00 -0.89 1.55 3.38 -1.59 -3.48 115.31 114.43 2rj3 h LEU 4016Ca 0.03 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.59 2rj3 h LEU 4016Cb 0.31 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.17 2rj3 h LEU 4016CO 0.02 0.25 -0.70 0.00 0.09 0.00 0.00 178.44 178.10 2rj3 n GLN 4017N -3.22 -7.57 -0.49 1.13 1.13 -1.14 -2.15 117.38 105.07 2rj3 n GLN 4017Ca 0.02 0.79 0.00 0.00 -1.94 0.00 0.00 57.00 55.87 2rj3 n GLN 4017Cb 0.57 -5.82 0.00 0.00 0.11 0.00 0.00 30.24 25.10 2rj3 n GLN 4017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rj3 n GLY 4018N -1.94 0.84 3.69 1.08 0.00 -1.26 -4.62 105.19 102.97 2rj3 n GLY 4018Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2rj3 n GLY 4018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 n ALA 4019N -0.43 1.28 -0.05 4.61 0.00 -0.91 -4.86 120.51 120.15 2rj3 n ALA 4019Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2rj3 n ALA 4019Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.17 2rj3 n ALA 4019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2rj3 n GLN 4020N 1.42 3.98 -5.27 0.00 6.02 -1.26 -4.30 117.38 117.97 2rj3 n GLN 4020Ca 0.09 -0.06 -0.31 0.00 -0.01 0.00 0.00 57.00 56.71 2rj3 n GLN 4020Cb 0.34 -0.43 -0.16 0.00 1.02 0.00 0.00 30.24 31.01 2rj3 n GLN 4020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2rj3 s LEU 4021N -1.17 2.08 0.01 1.08 0.20 -1.26 -0.71 118.68 118.90 2rj3 s LEU 4021Ca 0.00 -0.49 0.07 0.00 0.69 0.00 0.00 54.13 54.40 2rj3 s LEU 4021Cb 0.00 -1.36 -0.02 0.00 -0.43 0.00 0.00 46.19 44.38 2rj3 s LEU 4021CO 0.00 0.28 -0.22 0.00 -0.29 0.00 0.00 176.35 176.11 2rj3 s ALA 4022N -0.35 1.86 -0.21 5.97 0.00 0.46 -2.22 121.76 127.28 2rj3 s ALA 4022Ca 0.02 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 2rj3 s ALA 4022Cb -0.12 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2rj3 s ALA 4022CO 0.02 0.44 0.12 0.42 0.00 0.00 0.00 175.76 176.77 2rj3 s ILE 4023N -0.62 5.26 -0.57 0.00 1.01 0.62 -1.01 121.20 125.88 2rj3 s ILE 4023Ca 0.09 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.91 2rj3 s ILE 4023Cb -0.09 -3.41 0.15 0.00 0.01 0.00 0.00 42.46 39.12 2rj3 s ILE 4023CO 0.00 0.41 0.35 0.68 0.00 0.00 0.00 174.94 176.38 2rj3 s VAL 4024N 0.59 2.47 0.63 2.92 -7.23 0.11 -1.94 120.40 117.96 2rj3 s VAL 4024Ca 0.07 -3.55 -0.13 0.00 -1.81 0.00 0.00 61.98 56.56 2rj3 s VAL 4024Cb -0.12 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 2rj3 s VAL 4024CO 0.00 -0.90 1.04 -2.16 -0.31 0.00 0.00 175.10 172.77 2rj3 s PRO 4025N -0.63 3.28 0.16 4.82 0.04 -1.25 -3.55 135.00 137.87 2rj3 s PRO 4025Ca 0.21 0.98 0.08 0.00 0.04 0.00 0.00 61.00 62.30 2rj3 s PRO 4025Cb -0.17 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 2rj3 s PRO 4025CO -0.07 -0.83 1.35 0.78 0.04 0.00 0.00 177.00 178.28 2rj3 h GLY 4026N -0.16 0.00 -7.66 0.56 0.00 -1.84 -1.45 103.07 92.52 2rj3 h GLY 4026Ca -0.45 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.24 2rj3 h GLY 4026CO 0.58 0.00 -0.41 -0.35 0.00 0.00 0.00 176.54 176.37 2rj3 s ASP 4027N -6.73 6.11 0.52 0.19 -1.08 -1.26 -2.26 116.67 112.15 2rj3 s ASP 4027Ca 0.01 0.08 0.21 0.00 -0.52 0.00 0.00 52.55 52.33 2rj3 s ASP 4027Cb 0.11 -2.16 1.32 0.00 -1.46 0.00 0.00 42.92 40.73 2rj3 s ASP 4027CO 0.81 -0.11 2.05 1.55 0.52 0.00 0.00 175.17 179.98 2rj3 h PRO 4028N 8.30 0.03 0.00 4.34 0.13 -1.86 -2.40 132.00 140.55 2rj3 h PRO 4028Ca -0.33 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2rj3 h PRO 4028Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2rj3 h PRO 4028CO 0.59 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.31 2rj3 h GLU 4029N 0.04 0.00 0.00 0.86 5.08 -1.96 -3.12 114.58 115.48 2rj3 h GLU 4029Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2rj3 h GLU 4029Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2rj3 h GLU 4029CO -0.01 0.00 -0.89 0.54 -1.00 0.00 0.00 179.01 177.65 2rj3 n ARG 4030N -2.51 0.17 -0.12 2.33 5.12 -0.90 -4.19 116.66 116.56 2rj3 n ARG 4030Ca 0.03 -0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.90 2rj3 n ARG 4030Cb 0.31 -1.55 0.03 0.00 -1.16 0.00 0.00 32.46 30.08 2rj3 n ARG 4030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2rj3 h VAL 4031N 0.00 0.68 -0.57 1.55 2.07 -1.61 -1.91 116.25 116.46 2rj3 h VAL 4031Ca 0.00 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2rj3 h VAL 4031Cb 0.63 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2rj3 h VAL 4031CO 0.00 0.02 0.36 -0.08 0.02 0.00 0.00 177.57 177.88 2rj3 h GLU 4032N 0.09 0.70 -0.95 1.57 4.81 -1.78 -2.06 114.58 116.96 2rj3 h GLU 4032Ca 0.20 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2rj3 h GLU 4032Cb 0.28 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 2rj3 h GLU 4032CO -0.34 0.46 0.62 0.87 -0.73 0.00 0.00 179.01 179.89 2rj3 h LYS 4033N 0.72 1.17 -0.26 1.92 6.56 -1.65 -1.08 116.57 123.95 2rj3 h LYS 4033Ca 0.22 -0.07 -0.08 0.00 -1.06 0.00 0.00 60.65 59.66 2rj3 h LYS 4033Cb -0.03 -0.26 -0.01 0.00 -0.57 0.00 0.00 32.23 31.36 2rj3 h LYS 4033CO -0.07 0.78 -0.16 0.82 -2.06 0.00 0.00 179.45 178.76 2rj3 h ILE 4034N 1.21 1.30 -0.02 1.86 2.04 -1.07 -3.11 117.51 119.72 2rj3 h ILE 4034Ca 0.37 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 2rj3 h ILE 4034Cb -0.02 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2rj3 h ILE 4034CO -0.11 0.40 -0.27 0.00 0.00 0.00 0.00 178.15 178.16 2rj3 h ALA 4035N 0.72 1.52 0.00 1.87 0.00 -1.06 -2.76 119.26 119.54 2rj3 h ALA 4035Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2rj3 h ALA 4035Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2rj3 h ALA 4035CO 0.04 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2rj3 h ALA 4036N 1.70 1.00 -0.07 0.00 0.00 -1.13 -1.77 119.26 118.99 2rj3 h ALA 4036Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rj3 h ALA 4036Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2rj3 h ALA 4036CO 0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2rj3 n LEU 4037N -3.01 1.82 -4.78 0.00 4.77 -1.04 -4.92 117.00 109.84 2rj3 n LEU 4037Ca -0.02 -0.66 -0.32 0.00 -0.03 0.00 0.00 56.01 54.98 2rj3 n LEU 4037Cb 0.13 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2rj3 n LEU 4037CO 0.21 0.33 -0.22 -0.04 -1.33 0.00 0.00 177.39 176.34 2rj3 s MET 4038N -1.92 2.21 0.15 3.23 -1.94 -0.67 -5.13 119.30 115.23 2rj3 s MET 4038Ca 0.35 -2.36 -0.21 0.00 -1.71 0.00 0.00 55.69 51.76 2rj3 s MET 4038Cb 0.20 -1.60 -0.07 0.00 2.01 0.00 0.00 34.83 35.37 2rj3 s MET 4038CO 0.31 -0.40 0.67 -0.51 -0.01 0.00 0.00 175.02 175.08 2rj3 s ASP 4039N -3.93 7.14 -1.20 3.03 1.01 0.11 -4.45 116.67 118.39 2rj3 s ASP 4039Ca 0.08 1.40 -0.05 0.00 0.71 0.00 0.00 52.55 54.70 2rj3 s ASP 4039Cb 0.01 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.51 2rj3 s ASP 4039CO 0.05 0.18 0.83 0.29 0.21 0.00 0.00 175.17 176.72 2rj3 n LYS 4040N 1.35 -4.02 -2.32 8.23 5.02 -1.26 0.26 118.16 125.42 2rj3 n LYS 4040Ca -0.06 0.70 -0.42 0.00 -2.02 0.00 0.00 58.31 56.50 2rj3 n LYS 4040Cb 0.50 -5.30 -0.03 0.00 -0.02 0.00 0.00 35.03 30.19 2rj3 n LYS 4040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rj3 s PRO 4041N -5.48 4.31 -0.08 1.97 0.04 -1.26 -4.43 135.00 130.08 2rj3 s PRO 4041Ca 0.19 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.08 2rj3 s PRO 4041Cb -0.04 -3.56 0.02 0.00 0.04 0.00 0.00 34.50 30.96 2rj3 s PRO 4041CO 0.79 -0.51 -0.09 0.08 0.04 0.00 0.00 177.00 177.30 2rj3 s VAL 4042N 2.27 1.00 0.09 -0.36 1.01 -0.07 -5.01 120.40 119.33 2rj3 s VAL 4042Ca 0.61 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.92 2rj3 s VAL 4042Cb -0.29 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 2rj3 s VAL 4042CO 0.25 0.34 1.40 -0.75 0.00 0.00 0.00 175.10 176.34 2rj3 s LYS 4043N 1.07 4.31 -0.01 2.72 2.20 -1.26 -1.14 119.74 127.63 2rj3 s LYS 4043Ca -0.07 2.06 -0.01 0.00 -0.36 0.00 0.00 55.97 57.59 2rj3 s LYS 4043Cb -0.14 -3.32 -0.00 0.00 -1.51 0.00 0.00 37.83 32.85 2rj3 s LYS 4043CO -0.01 -0.47 -0.01 1.28 -0.36 0.00 0.00 175.35 175.78 2rj3 n LEU 4044N 4.27 0.07 -3.80 5.43 4.77 -0.69 -4.92 117.00 122.13 2rj3 n LEU 4044Ca 0.12 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 2rj3 n LEU 4044Cb 0.43 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2rj3 n LEU 4044CO 0.59 -0.49 -0.03 0.00 -1.33 0.00 0.00 177.39 176.12 2rj3 s ALA 4045N -3.00 -0.46 -0.23 -1.18 0.00 -1.13 -5.02 121.76 110.75 2rj3 s ALA 4045Ca -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 2rj3 s ALA 4045Cb 0.00 0.42 0.08 0.00 0.00 0.00 0.00 23.12 23.62 2rj3 s ALA 4045CO 0.02 -0.47 0.11 0.45 0.00 0.00 0.00 175.76 175.87 2rj3 s SER 4046N -2.47 2.87 -0.05 0.00 0.15 -1.26 -0.49 113.70 112.45 2rj3 s SER 4046Ca -0.00 -0.92 -0.01 0.00 0.70 0.00 0.00 55.95 55.73 2rj3 s SER 4046Cb 0.02 -0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.07 2rj3 s SER 4046CO -0.08 -0.39 0.01 -1.00 1.20 0.00 0.00 173.24 172.99 2rj3 s HIS 4047N 2.12 0.40 0.00 3.44 3.76 -0.67 -4.99 115.29 119.35 2rj3 s HIS 4047Ca 0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 2rj3 s HIS 4047Cb -0.16 -0.57 0.00 0.00 1.11 0.00 0.00 32.58 32.96 2rj3 s HIS 4047CO -0.22 -0.21 0.00 0.54 -0.85 0.00 0.00 174.74 174.00 2rj3 n ARG 4048N 4.74 0.00 -0.09 1.40 1.74 -1.26 -0.70 116.66 122.49 2rj3 n ARG 4048Ca -0.14 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.01 2rj3 n ARG 4048Cb 0.50 0.00 0.26 0.00 -1.02 0.00 0.00 32.46 32.20 2rj3 n ARG 4048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2rj3 n GLU 4049N 14.00 1.55 -3.43 5.56 0.00 -1.26 -4.75 120.64 132.31 2rj3 n GLU 4049Ca 0.00 -0.85 -0.44 0.00 0.00 0.00 0.00 57.16 55.87 2rj3 n GLU 4049Cb 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 31.44 30.12 2rj3 n GLU 4049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2rj3 s PHE 4050N -1.75 3.59 -0.23 -1.84 0.40 0.13 -4.06 117.98 114.22 2rj3 s PHE 4050Ca 0.24 -2.04 -0.11 0.00 -0.60 0.00 0.00 56.93 54.41 2rj3 s PHE 4050Cb 0.12 -3.66 -0.05 0.00 0.51 0.00 0.00 43.02 39.95 2rj3 s PHE 4050CO 0.18 -0.96 0.20 0.99 0.70 0.00 0.00 175.22 176.33 2rj3 s THR 4051N 0.43 5.33 -0.04 0.64 2.01 -1.26 -1.67 115.64 121.09 2rj3 s THR 4051Ca 0.14 0.28 0.06 0.00 0.31 0.00 0.00 61.69 62.49 2rj3 s THR 4051Cb -0.17 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2rj3 s THR 4051CO -0.05 0.34 -0.23 -0.94 -0.69 0.00 0.00 174.62 173.04 2rj3 s SER 4052N 1.00 2.81 0.12 3.53 1.04 0.35 -1.42 113.70 121.13 2rj3 s SER 4052Ca 0.10 -0.46 0.08 0.00 0.48 0.00 0.00 55.95 56.15 2rj3 s SER 4052Cb -0.14 -0.61 -0.04 0.00 0.10 0.00 0.00 66.02 65.34 2rj3 s SER 4052CO 0.05 0.25 -0.19 0.26 0.98 0.00 0.00 173.24 174.58 2rj3 s TRP 4053N -0.27 1.72 0.04 5.02 0.52 0.16 -1.71 118.94 124.43 2rj3 s TRP 4053Ca 0.01 -0.45 0.05 0.00 0.02 0.00 0.00 56.10 55.73 2rj3 s TRP 4053Cb -0.12 -0.91 -0.04 0.00 -1.15 0.00 0.00 33.47 31.26 2rj3 s TRP 4053CO 0.02 0.23 -0.08 0.50 0.02 0.00 0.00 176.95 177.64 2rj3 s ARG 4054N -2.25 2.40 0.14 4.98 3.52 -0.29 -0.95 118.95 126.50 2rj3 s ARG 4054Ca 0.09 -0.84 -0.00 0.00 -0.13 0.00 0.00 55.73 54.85 2rj3 s ARG 4054Cb -0.08 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 2rj3 s ARG 4054CO 0.05 0.56 0.18 0.00 -0.81 0.00 0.00 175.30 175.29 2rj3 n ALA 4055N 1.20 -0.08 -3.63 6.12 0.00 0.14 -0.89 120.51 123.37 2rj3 n ALA 4055Ca -0.14 -0.67 -0.18 0.00 0.00 0.00 0.00 53.44 52.45 2rj3 n ALA 4055Cb 0.52 0.54 -0.16 0.00 0.00 0.00 0.00 19.45 20.35 2rj3 n ALA 4055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2rj3 s GLU 4056N -2.35 0.56 -0.16 0.00 2.12 0.14 -1.36 118.70 117.65 2rj3 s GLU 4056Ca 0.12 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.43 2rj3 s GLU 4056Cb -0.00 -0.64 0.03 0.00 0.26 0.00 0.00 34.13 33.78 2rj3 s GLU 4056CO 0.09 -0.09 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.09 2rj3 s LEU 4057N 0.89 1.82 -1.45 2.70 1.43 0.55 -0.71 118.68 123.91 2rj3 s LEU 4057Ca -0.10 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.34 2rj3 s LEU 4057Cb -0.13 -1.14 0.03 0.00 0.03 0.00 0.00 46.19 44.98 2rj3 s LEU 4057CO -0.01 -0.10 0.58 0.47 0.23 0.00 0.00 176.35 177.52 2rj3 n ASP 4058N 4.77 -1.37 -1.09 2.29 8.00 -1.26 -1.08 116.55 126.81 2rj3 n ASP 4058Ca -0.15 -0.96 -0.10 0.00 0.71 0.00 0.00 54.79 54.29 2rj3 n ASP 4058Cb 0.49 -3.24 -0.01 0.00 -0.02 0.00 0.00 41.12 38.34 2rj3 n ASP 4058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rj3 n GLY 4059N -1.80 0.11 2.90 0.44 0.00 -1.26 -5.03 105.19 100.54 2rj3 n GLY 4059Ca -0.21 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 2rj3 n GLY 4059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rj3 s LYS 4060N -4.29 0.46 0.24 1.61 -0.14 -0.24 -5.13 119.74 112.24 2rj3 s LYS 4060Ca 0.00 -0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 54.23 2rj3 s LYS 4060Cb 0.00 -0.51 -0.09 0.00 -1.68 0.00 0.00 37.83 35.55 2rj3 s LYS 4060CO 0.00 -0.00 1.26 0.00 -0.76 0.00 0.00 175.35 175.85 2rj3 s ALA 4061N 0.43 3.49 0.01 5.17 0.00 -1.26 -0.33 121.76 129.27 2rj3 s ALA 4061Ca -0.05 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.01 2rj3 s ALA 4061Cb -0.08 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2rj3 s ALA 4061CO -0.00 -0.48 -0.04 0.14 0.00 0.00 0.00 175.76 175.37 2rj3 s VAL 4062N -0.39 0.30 -0.14 0.00 -7.23 -0.46 -4.15 120.40 108.33 2rj3 s VAL 4062Ca 0.52 -0.49 -0.03 0.00 -1.81 0.00 0.00 61.98 60.17 2rj3 s VAL 4062Cb -0.36 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 2rj3 s VAL 4062CO 0.42 -0.13 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.42 2rj3 s ILE 4063N -0.61 4.02 -0.21 -0.62 -1.09 -0.94 -0.68 121.20 121.06 2rj3 s ILE 4063Ca -0.04 -0.32 -0.05 0.00 -2.23 0.00 0.00 60.65 58.01 2rj3 s ILE 4063Cb -0.05 -2.74 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 2rj3 s ILE 4063CO -0.00 0.52 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.53 2rj3 s VAL 4064N 0.06 3.79 -0.08 2.92 1.01 -0.13 -0.27 120.40 127.69 2rj3 s VAL 4064Ca 0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2rj3 s VAL 4064Cb -0.13 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.58 2rj3 s VAL 4064CO 0.02 0.42 0.17 0.00 0.00 0.00 0.00 175.10 175.72 2rj3 s SER 4066N 1.64 5.81 -0.01 0.00 1.04 -0.51 -3.75 113.70 117.92 2rj3 s SER 4066Ca -0.04 1.72 0.08 0.00 0.48 0.00 0.00 55.95 58.19 2rj3 s SER 4066Cb -0.12 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.37 2rj3 s SER 4066CO -0.06 -1.15 0.24 0.35 0.98 0.00 0.00 173.24 173.60 2rj3 n THR 4067N -2.28 0.00 -0.19 2.02 -2.24 -0.55 -4.40 114.28 106.65 2rj3 n THR 4067Ca 0.08 -0.23 0.02 0.00 -2.27 0.00 0.00 64.05 61.65 2rj3 n THR 4067Cb 0.53 0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 69.30 2rj3 n THR 4067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rj3 n GLY 4068N 1.73 -1.71 3.71 3.38 0.00 -0.96 -3.11 105.19 108.23 2rj3 n GLY 4068Ca -0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2rj3 n GLY 4068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rj3 s ILE 4069N -1.69 4.74 0.00 -0.61 1.01 -1.26 -4.69 121.20 118.70 2rj3 s ILE 4069Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.62 2rj3 s ILE 4069Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.21 2rj3 s ILE 4069CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.69 2rj3 n GLY 4070N 2.96 2.30 0.28 6.18 0.00 -1.26 -4.69 105.19 110.96 2rj3 n GLY 4070Ca 0.07 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.29 2rj3 n GLY 4070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rj3 h GLY 4071N 0.00 1.09 0.42 -0.02 0.00 -1.87 -2.29 103.07 100.41 2rj3 h GLY 4071Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.09 2rj3 h GLY 4071CO 0.00 0.12 -0.29 -2.55 0.00 0.00 0.00 176.54 173.82 2rj3 h PRO 4072N 0.69 -0.45 -0.04 4.80 0.11 -1.95 0.87 132.00 136.03 2rj3 h PRO 4072Ca 0.34 0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.36 2rj3 h PRO 4072Cb 0.30 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2rj3 h PRO 4072CO -0.23 -0.30 -0.53 0.66 -0.21 0.00 0.00 178.00 177.39 2rj3 h SER 4073N -0.47 0.13 -0.43 -2.05 4.64 -1.80 -2.49 113.55 111.09 2rj3 h SER 4073Ca 0.05 -0.07 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2rj3 h SER 4073Cb 0.53 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 2rj3 h SER 4073CO -0.21 0.64 0.23 0.74 -0.87 0.00 0.00 176.83 177.35 2rj3 h THR 4074N 0.10 0.99 -0.08 2.95 2.02 -0.96 -2.04 112.91 115.88 2rj3 h THR 4074Ca -0.00 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 2rj3 h THR 4074Cb 0.96 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2rj3 h THR 4074CO 0.07 0.08 -0.14 0.77 0.37 0.00 0.00 175.52 176.68 2rj3 h SER 4075N 0.46 0.12 0.18 4.18 4.64 0.11 -1.73 113.55 121.51 2rj3 h SER 4075Ca 0.18 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2rj3 h SER 4075Cb 0.07 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2rj3 h SER 4075CO -0.11 0.28 -0.09 0.40 -0.87 0.00 0.00 176.83 176.44 2rj3 h ILE 4076N 0.12 0.92 -0.32 0.95 2.04 -1.19 -2.33 117.51 117.69 2rj3 h ILE 4076Ca 0.03 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.04 2rj3 h ILE 4076Cb 0.33 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2rj3 h ILE 4076CO 0.02 0.19 0.08 0.00 0.00 0.00 0.00 178.15 178.44 2rj3 h ALA 4077N -0.04 0.35 0.06 1.87 0.00 -1.13 -1.41 119.26 118.97 2rj3 h ALA 4077Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2rj3 h ALA 4077Cb 0.50 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2rj3 h ALA 4077CO 0.04 -0.32 -0.03 0.28 0.00 0.00 0.00 179.25 179.22 2rj3 h VAL 4078N 0.21 1.08 -0.26 0.00 2.07 -1.42 0.19 116.25 118.11 2rj3 h VAL 4078Ca 0.15 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.24 2rj3 h VAL 4078Cb 0.15 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 2rj3 h VAL 4078CO -0.18 0.12 -0.15 -0.08 0.02 0.00 0.00 177.57 177.30 2rj3 h GLU 4079N -0.30 -0.12 -0.11 1.57 4.57 -1.30 0.27 114.58 119.16 2rj3 h GLU 4079Ca -0.01 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 2rj3 h GLU 4079Cb 0.27 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2rj3 h GLU 4079CO 0.01 -0.08 -0.61 0.93 -1.18 0.00 0.00 179.01 178.09 2rj3 h GLU 4080N -0.13 0.37 -0.40 1.92 5.08 -1.16 -0.43 114.58 119.84 2rj3 h GLU 4080Ca 0.14 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2rj3 h GLU 4080Cb 0.34 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2rj3 h GLU 4080CO -0.34 0.87 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.39 2rj3 h LEU 4081N 0.27 0.66 -0.63 1.33 3.38 -0.32 -2.56 115.31 117.44 2rj3 h LEU 4081Ca -0.01 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2rj3 h LEU 4081Cb 1.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2rj3 h LEU 4081CO 0.10 0.78 0.08 0.00 0.09 0.00 0.00 178.44 179.49 2rj3 h ALA 4082N 1.29 0.84 0.00 1.53 0.00 0.03 -1.53 119.26 121.42 2rj3 h ALA 4082Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2rj3 h ALA 4082Cb 0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2rj3 h ALA 4082CO 0.03 0.62 -0.02 1.96 0.00 0.00 0.00 179.25 181.84 2rj3 h GLN 4083N 0.97 0.00 -0.01 0.00 4.20 -0.91 -1.73 115.11 117.63 2rj3 h GLN 4083Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2rj3 h GLN 4083Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2rj3 h GLN 4083CO 0.02 0.02 -0.14 1.28 -0.67 0.00 0.00 178.83 179.34 2rj3 n LEU 4084N -4.33 1.10 0.00 1.46 4.77 -0.98 -4.94 117.00 114.08 2rj3 n LEU 4084Ca -0.03 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2rj3 n LEU 4084Cb 0.11 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2rj3 n LEU 4084CO 0.33 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2rj3 n GLY 4085N 1.26 0.93 3.73 -0.72 0.00 -0.65 -4.82 105.19 104.91 2rj3 n GLY 4085Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2rj3 n GLY 4085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rj3 s ILE 4086N -2.00 3.87 0.00 -0.61 -1.09 -0.61 -4.55 121.20 116.21 2rj3 s ILE 4086Ca 0.00 1.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.88 2rj3 s ILE 4086Cb 0.00 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 2rj3 s ILE 4086CO 0.00 0.18 0.26 0.54 -1.23 0.00 0.00 174.94 174.69 2rj3 n ARG 4087N 3.19 1.19 -4.18 2.79 3.00 0.11 -4.17 116.66 118.59 2rj3 n ARG 4087Ca 0.06 -0.26 -0.21 0.00 -0.01 0.00 0.00 57.85 57.43 2rj3 n ARG 4087Cb 0.46 -0.73 -0.16 0.00 0.00 0.00 0.00 32.46 32.03 2rj3 n ARG 4087CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2rj3 s THR 4088N -0.24 0.59 -0.10 0.55 2.01 -0.89 -0.95 115.64 116.61 2rj3 s THR 4088Ca 0.00 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.87 2rj3 s THR 4088Cb 0.00 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.91 2rj3 s THR 4088CO 0.00 0.24 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.68 2rj3 s PHE 4089N 0.96 1.72 -0.24 4.92 0.40 0.19 -0.40 117.98 125.53 2rj3 s PHE 4089Ca -0.10 -0.78 -0.00 0.00 -0.60 0.00 0.00 56.93 55.44 2rj3 s PHE 4089Cb -0.14 -1.28 0.03 0.00 0.51 0.00 0.00 43.02 42.14 2rj3 s PHE 4089CO -0.00 -0.43 -0.09 -0.51 0.70 0.00 0.00 175.22 174.89 2rj3 s LEU 4090N 1.05 3.11 -0.14 -0.37 1.43 -0.18 -1.13 118.68 122.45 2rj3 s LEU 4090Ca -0.06 -0.95 -0.22 0.00 -1.03 0.00 0.00 54.13 51.87 2rj3 s LEU 4090Cb -0.15 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 2rj3 s LEU 4090CO -0.02 -0.13 0.64 -0.60 0.23 0.00 0.00 176.35 176.48 2rj3 s ARG 4091N 1.28 4.31 -0.24 1.70 3.52 -0.46 0.09 118.95 129.16 2rj3 s ARG 4091Ca -0.01 0.71 -0.05 0.00 -0.13 0.00 0.00 55.73 56.25 2rj3 s ARG 4091Cb -0.17 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 2rj3 s ARG 4091CO -0.06 -0.09 -0.00 -1.50 -0.81 0.00 0.00 175.30 172.84 2rj3 s ILE 4092N 1.38 3.68 0.03 4.11 1.10 -1.23 -1.40 121.20 128.86 2rj3 s ILE 4092Ca 0.32 -0.43 0.01 0.00 -0.51 0.00 0.00 60.65 60.03 2rj3 s ILE 4092Cb -0.16 -2.71 -0.00 0.00 0.15 0.00 0.00 42.46 39.73 2rj3 s ILE 4092CO 0.13 0.37 0.02 0.61 -2.11 0.00 0.00 174.94 173.95 2rj3 n GLY 4093N 4.84 3.98 3.39 1.50 0.00 -0.82 -3.85 105.19 114.23 2rj3 n GLY 4093Ca -0.17 -1.80 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 2rj3 n GLY 4093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rj3 s THR 4094N -1.90 2.25 0.13 2.61 -4.23 -1.26 -2.28 115.64 110.96 2rj3 s THR 4094Ca 0.03 -1.81 -0.10 0.00 -1.18 0.00 0.00 61.69 58.63 2rj3 s THR 4094Cb 0.00 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.84 2rj3 s THR 4094CO 0.02 0.04 0.28 0.28 -0.54 0.00 0.00 174.62 174.69 2rj3 s THR 4095N -1.20 0.09 -0.24 3.99 -1.32 -0.82 -4.84 115.64 111.30 2rj3 s THR 4095Ca 0.15 -1.19 -0.00 0.00 -1.21 0.00 0.00 61.69 59.44 2rj3 s THR 4095Cb -0.10 -1.57 0.03 0.00 -1.51 0.00 0.00 72.50 69.35 2rj3 s THR 4095CO 0.07 -0.42 -0.09 -0.83 -2.21 0.00 0.00 174.62 171.14 2rj3 s GLY 4096N -2.91 1.59 0.24 6.08 0.00 -1.01 -0.93 107.32 110.38 2rj3 s GLY 4096Ca 0.11 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 43.06 2rj3 s GLY 4096CO -0.05 0.49 1.43 0.00 0.00 0.00 0.00 173.10 174.97 2rj3 s ALA 4097N 1.28 3.62 -0.13 3.20 0.00 0.10 -1.02 121.76 128.82 2rj3 s ALA 4097Ca -0.01 1.30 0.18 0.00 0.00 0.00 0.00 51.96 53.44 2rj3 s ALA 4097Cb -0.17 -3.55 -0.23 0.00 0.00 0.00 0.00 23.12 19.18 2rj3 s ALA 4097CO -0.06 -0.72 0.44 -0.89 0.00 0.00 0.00 175.76 174.53 2rj3 n ILE 4098N 2.41 1.11 -3.24 0.00 5.41 0.96 -0.72 119.36 125.29 2rj3 n ILE 4098Ca 0.07 -0.74 -0.37 0.00 1.00 0.00 0.00 62.75 62.71 2rj3 n ILE 4098Cb 0.40 -0.53 -0.06 0.00 -0.71 0.00 0.00 39.64 38.74 2rj3 n ILE 4098CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2rj3 s GLN 4099N -2.81 4.16 0.47 0.38 -1.52 -1.22 -4.64 119.66 114.47 2rj3 s GLN 4099Ca -0.07 0.71 0.18 0.00 -1.95 0.00 0.00 55.36 54.22 2rj3 s GLN 4099Cb 0.08 -3.04 1.14 0.00 -0.22 0.00 0.00 33.01 30.97 2rj3 s GLN 4099CO 0.84 0.52 2.03 -1.35 -0.25 0.00 0.00 175.29 177.08 2rj3 h PRO 4100N 3.91 0.00 -0.01 2.91 0.11 -1.96 -2.95 132.00 134.01 2rj3 h PRO 4100Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2rj3 h PRO 4100Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2rj3 h PRO 4100CO 0.65 0.15 -0.07 -2.39 -0.21 0.00 0.00 178.00 176.13 2rj3 n HIS 4101N -4.20 0.00 -3.62 0.65 1.44 -1.26 -4.78 115.22 103.45 2rj3 n HIS 4101Ca -0.02 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.31 2rj3 n HIS 4101Cb 0.22 -0.09 -0.11 0.00 0.12 0.00 0.00 29.99 30.14 2rj3 n HIS 4101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2rj3 s ILE 4102N -2.24 5.11 0.36 0.61 1.01 -1.12 -5.08 121.20 119.85 2rj3 s ILE 4102Ca 0.35 0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.10 2rj3 s ILE 4102Cb 0.21 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 2rj3 s ILE 4102CO 0.42 0.25 0.54 0.20 0.00 0.00 0.00 174.94 176.34 2rj3 s ASN 4103N 1.73 6.11 0.15 3.58 0.01 -1.26 -4.84 114.94 120.41 2rj3 s ASN 4103Ca 0.07 0.22 -0.31 0.00 -0.71 0.00 0.00 52.86 52.13 2rj3 s ASN 4103Cb -0.16 -1.71 -0.10 0.00 0.41 0.00 0.00 41.25 39.69 2rj3 s ASN 4103CO 0.10 -0.40 1.65 -0.69 -1.51 0.00 0.00 177.10 176.24 2rj3 s VAL 4104N -2.31 2.56 0.00 1.60 1.01 -1.26 -2.06 120.40 119.95 2rj3 s VAL 4104Ca 0.42 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2rj3 s VAL 4104Cb -0.10 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2rj3 s VAL 4104CO 0.35 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2rj3 n GLY 4105N 3.90 2.60 3.71 4.51 0.00 -0.45 -5.01 105.19 114.46 2rj3 n GLY 4105Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2rj3 n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rj3 s ASP 4106N -0.84 4.12 -0.19 1.61 1.11 -0.87 -4.65 116.67 116.96 2rj3 s ASP 4106Ca 0.00 2.51 -0.04 0.00 0.18 0.00 0.00 52.55 55.20 2rj3 s ASP 4106Cb 0.00 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.36 2rj3 s ASP 4106CO 0.00 -2.33 -0.03 -0.69 1.18 0.00 0.00 175.17 173.30 2rj3 s VAL 4107N -1.74 3.70 -0.17 -1.27 1.01 -0.65 -1.19 120.40 120.09 2rj3 s VAL 4107Ca 0.78 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 2rj3 s VAL 4107Cb -0.33 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 2rj3 s VAL 4107CO 0.45 0.45 -0.14 -0.76 0.00 0.00 0.00 175.10 175.11 2rj3 s LEU 4108N 0.88 2.54 -0.18 3.92 1.43 0.13 -2.03 118.68 125.37 2rj3 s LEU 4108Ca -0.00 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 2rj3 s LEU 4108Cb -0.15 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2rj3 s LEU 4108CO 0.01 0.06 0.07 -0.69 0.23 0.00 0.00 176.35 176.04 2rj3 s VAL 4109N 0.95 4.86 -0.23 -1.59 1.01 -0.76 -1.41 120.40 123.23 2rj3 s VAL 4109Ca -0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 2rj3 s VAL 4109Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2rj3 s VAL 4109CO -0.02 0.47 0.47 -0.89 0.00 0.00 0.00 175.10 175.14 2rj3 s THR 4110N 0.24 5.12 -0.06 3.92 2.01 -0.39 -1.78 115.64 124.70 2rj3 s THR 4110Ca 0.04 0.83 -0.19 0.00 0.31 0.00 0.00 61.69 62.68 2rj3 s THR 4110Cb -0.12 -3.79 -0.30 0.00 0.01 0.00 0.00 72.50 68.29 2rj3 s THR 4110CO 0.00 0.16 0.79 0.71 -0.69 0.00 0.00 174.62 175.59 2rj3 h THR 4111N 5.22 1.32 -2.96 -0.82 1.35 -1.58 -3.40 112.91 112.05 2rj3 h THR 4111Ca -0.32 -2.51 0.03 0.00 -0.55 0.00 0.00 66.41 63.06 2rj3 h THR 4111Cb 1.15 3.02 -0.09 0.00 -1.73 0.00 0.00 68.15 70.50 2rj3 h THR 4111CO 0.71 0.72 0.23 0.00 -0.25 0.00 0.00 175.52 176.94 2rj3 s ALA 4112N -2.46 -1.42 0.06 6.62 0.00 -1.26 -0.50 121.76 122.80 2rj3 s ALA 4112Ca -0.15 0.10 0.04 0.00 0.00 0.00 0.00 51.96 51.95 2rj3 s ALA 4112Cb 0.02 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 2rj3 s ALA 4112CO 0.82 -0.91 -0.12 -1.54 0.00 0.00 0.00 175.76 174.01 2rj3 s SER 4113N -2.83 1.40 -0.06 0.00 1.04 -0.22 -2.36 113.70 110.67 2rj3 s SER 4113Ca 0.06 -0.60 -0.30 0.00 0.48 0.00 0.00 55.95 55.59 2rj3 s SER 4113Cb -0.03 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.02 2rj3 s SER 4113CO -0.03 -0.12 1.46 -0.69 0.98 0.00 0.00 173.24 174.84 2rj3 s VAL 4114N -1.35 3.79 -0.95 5.02 1.01 0.13 -4.32 120.40 123.73 2rj3 s VAL 4114Ca -0.04 1.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.79 2rj3 s VAL 4114Cb -0.10 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.69 2rj3 s VAL 4114CO 0.02 -0.05 1.25 -0.13 0.00 0.00 0.00 175.10 176.19 2rj3 s ARG 4115N 3.20 3.57 -0.36 2.72 0.52 -1.26 -1.54 118.95 125.80 2rj3 s ARG 4115Ca 0.65 -1.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.50 2rj3 s ARG 4115Cb -0.30 -5.05 0.54 0.00 0.52 0.00 0.00 34.95 30.66 2rj3 s ARG 4115CO 0.25 -1.96 1.59 1.28 0.02 0.00 0.00 175.30 176.48 2rj3 n LEU 4116N 7.61 5.03 -4.78 2.53 4.77 -0.69 -4.98 117.00 126.49 2rj3 n LEU 4116Ca 0.26 -3.86 -0.32 0.00 -0.03 0.00 0.00 56.01 52.05 2rj3 n LEU 4116Cb 0.50 -0.69 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 2rj3 n LEU 4116CO 0.58 1.30 -0.23 1.51 -1.33 0.00 0.00 177.39 179.22 2rj3 s ASP 4117N -2.30 4.18 -0.04 -1.43 3.84 -1.22 -1.56 116.67 118.16 2rj3 s ASP 4117Ca 0.49 -1.62 0.05 0.00 -0.00 0.00 0.00 52.55 51.47 2rj3 s ASP 4117Cb 0.43 0.52 -0.06 0.00 -1.38 0.00 0.00 42.92 42.43 2rj3 s ASP 4117CO 0.02 -0.88 0.03 0.61 -0.00 0.00 0.00 175.17 174.96 2rj3 n GLY 4118N -1.32 -0.24 0.20 2.12 0.00 -1.26 -4.71 105.19 99.98 2rj3 n GLY 4118Ca -0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2rj3 n GLY 4118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 h ALA 4119N 0.29 1.26 -0.66 4.61 0.00 -1.98 -2.48 119.26 120.30 2rj3 h ALA 4119Ca -0.11 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.48 2rj3 h ALA 4119Cb 1.11 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2rj3 h ALA 4119CO 0.01 0.51 0.44 0.66 0.00 0.00 0.00 179.25 180.86 2rj3 h SER 4120N 0.14 0.67 0.12 0.00 4.64 -1.85 -0.11 113.55 117.17 2rj3 h SER 4120Ca 0.02 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2rj3 h SER 4120Cb 0.69 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2rj3 h SER 4120CO 0.05 0.46 0.00 -0.07 -0.87 0.00 0.00 176.83 176.41 2rj3 h LEU 4121N 0.78 0.00 -0.42 5.97 -0.00 -1.55 -1.69 115.31 118.41 2rj3 h LEU 4121Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 2rj3 h LEU 4121Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2rj3 h LEU 4121CO -0.07 0.00 0.00 1.41 -0.00 0.00 0.00 178.44 179.78 2rj3 n HIS 4122N -3.01 0.01 0.00 1.13 8.25 -0.05 -3.96 115.22 117.58 2rj3 n HIS 4122Ca -0.02 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2rj3 n HIS 4122Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2rj3 n HIS 4122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2rj3 n PHE 4123N -0.48 0.00 -3.74 4.41 3.01 -0.75 -5.10 117.46 114.82 2rj3 n PHE 4123Ca 0.21 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.54 2rj3 n PHE 4123Cb 0.21 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.60 2rj3 n PHE 4123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2rj3 s ALA 4124N -1.76 -0.90 1.04 4.37 0.00 -0.71 -5.02 121.76 118.78 2rj3 s ALA 4124Ca 0.00 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 2rj3 s ALA 4124Cb 0.00 -0.08 0.21 0.00 0.00 0.00 0.00 23.12 23.25 2rj3 s ALA 4124CO 0.00 -0.25 1.07 -1.25 0.00 0.00 0.00 175.76 175.33 2rj3 s PRO 4125N -0.98 0.12 0.49 0.00 0.04 -1.26 -3.85 135.00 129.56 2rj3 s PRO 4125Ca -0.10 0.72 0.19 0.00 0.04 0.00 0.00 61.00 61.85 2rj3 s PRO 4125Cb -0.04 -1.68 1.24 0.00 0.04 0.00 0.00 34.50 34.06 2rj3 s PRO 4125CO 0.04 -2.99 2.07 1.98 0.04 0.00 0.00 177.00 178.14 2rj3 h MET 4126N -2.09 0.00 0.00 4.56 4.05 -1.94 -2.19 114.93 117.32 2rj3 h MET 4126Ca -0.56 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.84 2rj3 h MET 4126Cb 1.32 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.12 2rj3 h MET 4126CO 0.54 0.11 -0.12 1.05 0.23 0.00 0.00 176.91 178.73 2rj3 h GLU 4127N 0.00 0.00 -6.75 0.39 9.09 -2.03 -3.43 114.58 111.85 2rj3 h GLU 4127Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 2rj3 h GLU 4127Cb 0.22 0.00 0.05 0.00 -1.65 0.00 0.00 28.75 27.38 2rj3 h GLU 4127CO 0.01 0.12 0.73 0.12 0.05 0.00 0.00 179.01 180.05 2rj3 s PHE 4128N -3.80 3.06 0.14 2.06 2.19 -0.83 -4.99 117.98 115.82 2rj3 s PHE 4128Ca -0.00 1.09 -0.30 0.00 0.33 0.00 0.00 56.93 58.04 2rj3 s PHE 4128Cb 0.11 -3.77 -0.07 0.00 -1.31 0.00 0.00 43.02 37.97 2rj3 s PHE 4128CO 0.58 -2.48 1.00 -1.25 1.83 0.00 0.00 175.22 174.90 2rj3 s PRO 4129N -0.44 4.68 -1.46 10.12 0.04 -1.26 -4.95 135.00 141.72 2rj3 s PRO 4129Ca 0.58 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 2rj3 s PRO 4129Cb -0.41 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2rj3 s PRO 4129CO 0.43 0.20 2.37 0.00 0.04 0.00 0.00 177.00 180.04 2rj3 n ALA 4130N 2.55 5.88 -2.83 8.56 0.00 -1.26 -4.71 120.51 128.70 2rj3 n ALA 4130Ca 0.02 -3.76 -0.36 0.00 0.00 0.00 0.00 53.44 49.34 2rj3 n ALA 4130Cb 0.48 -3.50 -0.07 0.00 0.00 0.00 0.00 19.45 16.36 2rj3 n ALA 4130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rj3 s VAL 4131N 3.06 5.27 0.71 0.00 0.11 -1.26 -1.06 120.40 127.22 2rj3 s VAL 4131Ca 0.52 0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.58 2rj3 s VAL 4131Cb 0.15 -3.30 0.02 0.00 -1.53 0.00 0.00 36.38 31.71 2rj3 s VAL 4131CO -0.07 0.59 1.07 0.00 -3.33 0.00 0.00 175.10 173.35 2rj3 s ALA 4132N -0.77 2.56 0.23 1.54 0.00 0.34 -4.68 121.76 120.97 2rj3 s ALA 4132Ca 0.13 0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2rj3 s ALA 4132Cb -0.12 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2rj3 s ALA 4132CO 0.03 -1.34 1.25 0.34 0.00 0.00 0.00 175.76 176.04 2rj3 s ASP 4133N -3.53 6.98 0.17 0.00 -1.08 0.61 -4.96 116.67 114.86 2rj3 s ASP 4133Ca 0.60 2.39 -0.13 0.00 -0.52 0.00 0.00 52.55 54.90 2rj3 s ASP 4133Cb -0.15 -2.62 0.07 0.00 -1.46 0.00 0.00 42.92 38.75 2rj3 s ASP 4133CO 0.53 -0.43 1.74 0.15 0.52 0.00 0.00 175.17 177.68 2rj3 h PHE 4134N 4.70 0.84 -0.33 -5.34 3.57 -1.95 -1.37 116.94 117.06 2rj3 h PHE 4134Ca -0.46 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 60.91 2rj3 h PHE 4134Cb 1.22 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2rj3 h PHE 4134CO 0.60 0.66 -0.15 0.00 -2.23 0.00 0.00 178.31 177.20 2rj3 h ALA 4135N 1.09 1.12 -0.23 2.41 0.00 -1.95 -1.59 119.26 120.12 2rj3 h ALA 4135Ca 0.19 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2rj3 h ALA 4135Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2rj3 h ALA 4135CO -0.02 0.55 -0.10 0.00 0.00 0.00 0.00 179.25 179.68 2rj3 h THR 4137N 0.18 1.20 0.47 0.00 2.02 -1.21 -1.47 112.91 114.10 2rj3 h THR 4137Ca 0.05 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 2rj3 h THR 4137Cb 0.59 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2rj3 h THR 4137CO 0.03 0.22 -0.32 0.74 0.37 0.00 0.00 175.52 176.56 2rj3 h THR 4138N 0.85 0.35 -0.97 3.16 2.02 -1.22 0.18 112.91 117.27 2rj3 h THR 4138Ca 0.22 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.53 2rj3 h THR 4138Cb 0.04 0.35 -0.08 0.00 -1.74 0.00 0.00 68.15 66.72 2rj3 h THR 4138CO -0.04 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.47 2rj3 h ALA 4139N -0.31 1.60 -0.38 6.16 0.00 -1.31 0.22 119.26 125.24 2rj3 h ALA 4139Ca -0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2rj3 h ALA 4139Cb 0.63 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2rj3 h ALA 4139CO 0.04 0.15 0.03 -0.07 0.00 0.00 0.00 179.25 179.39 2rj3 h LEU 4140N 0.91 0.63 -0.41 0.00 3.38 -0.82 0.41 115.31 119.40 2rj3 h LEU 4140Ca 0.48 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 2rj3 h LEU 4140Cb 0.55 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2rj3 h LEU 4140CO -0.25 0.76 -0.11 0.58 0.09 0.00 0.00 178.44 179.51 2rj3 h VAL 4141N 0.48 1.27 -0.61 1.22 2.07 -0.49 -1.83 116.25 118.36 2rj3 h VAL 4141Ca 0.11 -1.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 2rj3 h VAL 4141Cb 0.42 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2rj3 h VAL 4141CO 0.01 0.41 0.01 -0.33 0.02 0.00 0.00 177.57 177.69 2rj3 h GLU 4142N 0.62 1.07 -0.31 1.57 4.39 -0.46 -2.64 114.58 118.82 2rj3 h GLU 4142Ca 0.10 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 2rj3 h GLU 4142Cb 0.64 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2rj3 h GLU 4142CO 0.04 1.04 0.04 0.00 -1.16 0.00 0.00 179.01 178.97 2rj3 h ALA 4143N 0.99 1.50 -0.55 3.43 0.00 -0.12 -2.62 119.26 121.89 2rj3 h ALA 4143Ca 0.17 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2rj3 h ALA 4143Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2rj3 h ALA 4143CO 0.03 0.37 0.09 0.00 0.00 0.00 0.00 179.25 179.74 2rj3 h ALA 4144N 1.60 1.13 -0.12 0.00 0.00 -0.97 -2.00 119.26 118.90 2rj3 h ALA 4144Ca 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2rj3 h ALA 4144Cb 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2rj3 h ALA 4144CO 0.00 0.57 0.00 0.87 0.00 0.00 0.00 179.25 180.70 2rj3 h LYS 4145N 0.82 0.21 0.10 0.00 1.57 -1.29 -1.60 116.57 116.39 2rj3 h LYS 4145Ca 0.17 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2rj3 h LYS 4145Cb 0.36 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2rj3 h LYS 4145CO 0.01 0.45 -0.37 0.77 -0.57 0.00 0.00 179.45 179.73 2rj3 h SER 4146N -0.05 -1.09 0.47 0.86 0.02 -1.28 -2.77 113.55 109.71 2rj3 h SER 4146Ca 0.03 0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 2rj3 h SER 4146Cb 0.35 0.41 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 2rj3 h SER 4146CO 0.01 -0.45 -0.46 0.40 -1.14 0.00 0.00 176.83 175.19 2rj3 h ILE 4147N -0.59 1.33 -1.05 3.27 1.08 -1.44 -3.49 117.51 116.63 2rj3 h ILE 4147Ca 0.03 -1.58 0.00 0.00 -0.39 0.00 0.00 64.86 62.92 2rj3 h ILE 4147Cb 0.63 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 2rj3 h ILE 4147CO -0.23 0.45 0.00 0.61 -0.69 0.00 0.00 178.15 178.29 2rj3 n GLY 4148N -0.20 -2.00 3.64 5.37 0.00 -0.61 -5.11 105.19 106.28 2rj3 n GLY 4148Ca -0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 2rj3 n GLY 4148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 s ALA 4149N 0.00 -2.01 -0.37 4.61 0.00 -1.18 -4.99 121.76 117.81 2rj3 s ALA 4149Ca 0.00 1.86 -0.29 0.00 0.00 0.00 0.00 51.96 53.53 2rj3 s ALA 4149Cb 0.00 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.64 2rj3 s ALA 4149CO 0.00 -0.22 1.39 0.95 0.00 0.00 0.00 175.76 177.88 2rj3 s THR 4150N 0.22 3.96 -0.06 0.00 -4.23 -1.26 -4.86 115.64 109.40 2rj3 s THR 4150Ca 0.04 1.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.61 2rj3 s THR 4150Cb -0.05 -4.17 -0.01 0.00 1.34 0.00 0.00 72.50 69.61 2rj3 s THR 4150CO -0.08 -0.66 -0.24 -0.89 -0.54 0.00 0.00 174.62 172.22 2rj3 s THR 4151N 5.13 1.98 0.05 3.99 2.01 -1.26 -1.63 115.64 125.91 2rj3 s THR 4151Ca 0.60 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.67 2rj3 s THR 4151Cb -0.15 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 2rj3 s THR 4151CO 0.30 0.55 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.54 2rj3 s HIS 4152N -0.04 2.04 -0.09 4.92 3.76 -0.86 -5.00 115.29 120.02 2rj3 s HIS 4152Ca -0.06 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 2rj3 s HIS 4152Cb -0.14 -1.21 0.02 0.00 1.11 0.00 0.00 32.58 32.35 2rj3 s HIS 4152CO 0.04 0.11 -0.12 0.08 -0.85 0.00 0.00 174.74 174.01 2rj3 s VAL 4153N -0.81 1.23 -2.52 -0.90 1.01 -1.26 -1.82 120.40 115.32 2rj3 s VAL 4153Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2rj3 s VAL 4153Cb -0.09 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.14 2rj3 s VAL 4153CO 0.02 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2rj3 n GLY 4154N 4.20 -0.62 3.74 4.51 0.00 -0.74 -4.96 105.19 111.32 2rj3 n GLY 4154Ca -0.19 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 2rj3 n GLY 4154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rj3 s VAL 4155N -3.72 4.90 0.07 1.61 1.01 -1.26 -1.42 120.40 121.59 2rj3 s VAL 4155Ca 0.00 1.46 0.08 0.00 0.00 0.00 0.00 61.98 63.52 2rj3 s VAL 4155Cb 0.00 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2rj3 s VAL 4155CO 0.00 0.33 -0.18 0.42 0.00 0.00 0.00 175.10 175.67 2rj3 s THR 4156N 0.24 2.78 -0.38 3.92 -4.23 -0.99 -1.69 115.64 115.29 2rj3 s THR 4156Ca 0.36 -1.31 -0.19 0.00 -1.18 0.00 0.00 61.69 59.37 2rj3 s THR 4156Cb -0.19 -2.20 0.01 0.00 1.34 0.00 0.00 72.50 71.45 2rj3 s THR 4156CO 0.20 0.25 0.56 0.00 -0.54 0.00 0.00 174.62 175.09 2rj3 s ALA 4157N -1.00 3.44 -0.42 3.99 0.00 0.06 0.17 121.76 128.00 2rj3 s ALA 4157Ca 0.16 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 2rj3 s ALA 4157Cb -0.10 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.94 2rj3 s ALA 4157CO 0.07 -1.40 0.31 0.45 0.00 0.00 0.00 175.76 175.19 2rj3 s SER 4158N 1.82 6.05 -0.07 0.00 0.15 -0.59 -1.79 113.70 119.27 2rj3 s SER 4158Ca 0.20 -1.07 -0.03 0.00 0.70 0.00 0.00 55.95 55.75 2rj3 s SER 4158Cb -0.15 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2rj3 s SER 4158CO 0.15 -0.50 0.08 -0.55 1.20 0.00 0.00 173.24 173.62 2rj3 s SER 4159N 1.95 5.81 0.00 5.45 0.15 0.11 -1.70 113.70 125.47 2rj3 s SER 4159Ca 0.04 0.27 0.23 0.00 0.70 0.00 0.00 55.95 57.19 2rj3 s SER 4159Cb -0.21 -1.75 1.14 0.00 -1.71 0.00 0.00 66.02 63.50 2rj3 s SER 4159CO 0.08 0.35 1.74 0.47 1.20 0.00 0.00 173.24 177.08 2rj3 n ASP 4160N 1.76 0.00 -4.10 5.45 10.43 -0.60 -4.34 116.55 125.14 2rj3 n ASP 4160Ca -0.17 -0.03 -0.16 0.00 2.57 0.00 0.00 54.79 56.99 2rj3 n ASP 4160Cb 0.54 -0.29 -0.12 0.00 1.84 0.00 0.00 41.12 43.09 2rj3 n ASP 4160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2rj3 s THR 4161N -2.57 0.81 0.18 -3.53 -4.23 -1.26 -5.02 115.64 100.01 2rj3 s THR 4161Ca 0.21 -1.06 0.13 0.00 -1.18 0.00 0.00 61.69 59.78 2rj3 s THR 4161Cb 0.15 -0.80 -0.01 0.00 1.34 0.00 0.00 72.50 73.18 2rj3 s THR 4161CO 0.35 -0.22 1.57 0.15 -0.54 0.00 0.00 174.62 175.92 2rj3 h PHE 4162N 4.64 0.00 0.00 3.99 3.04 -1.98 -3.37 116.94 123.26 2rj3 h PHE 4162Ca -0.37 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.58 2rj3 h PHE 4162Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2rj3 h PHE 4162CO 0.60 0.61 0.00 0.66 -2.02 0.00 0.00 178.31 178.16 2rj3 n TYR 4163N -3.60 0.00 0.14 0.41 4.02 -1.26 -4.44 117.16 112.44 2rj3 n TYR 4163Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2rj3 n TYR 4163Cb 0.65 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 40.27 2rj3 n TYR 4163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2rj3 h PRO 4164N 0.00 0.12 0.00 -0.72 0.13 -1.85 0.29 132.00 129.97 2rj3 h PRO 4164Ca 0.00 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2rj3 h PRO 4164Cb 0.00 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2rj3 h PRO 4164CO 0.00 0.49 -0.00 0.78 -0.23 0.00 0.00 178.00 179.03 2rj3 h GLY 4165N 1.17 0.00 -2.41 1.56 0.00 -1.87 -1.61 103.07 99.90 2rj3 h GLY 4165Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2rj3 h GLY 4165CO 0.05 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.53 2rj3 n GLN 4166N -3.10 3.55 -4.02 4.80 6.02 -0.99 -4.91 117.38 118.73 2rj3 n GLN 4166Ca 0.01 -2.78 -0.29 0.00 -0.01 0.00 0.00 57.00 53.93 2rj3 n GLN 4166Cb 0.35 -1.83 -0.03 0.00 1.02 0.00 0.00 30.24 29.74 2rj3 n GLN 4166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2rj3 n GLU 4167N 0.47 -2.37 -3.21 -1.09 2.13 -0.61 -4.92 120.64 111.05 2rj3 n GLU 4167Ca 0.22 0.32 -0.39 0.00 0.66 0.00 0.00 57.16 57.97 2rj3 n GLU 4167Cb 0.86 -4.15 -0.05 0.00 0.27 0.00 0.00 31.44 28.37 2rj3 n GLU 4167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2rj3 s ARG 4168N -6.75 4.34 0.00 5.31 0.52 0.97 -4.98 118.95 118.36 2rj3 s ARG 4168Ca 0.08 0.68 0.14 0.00 -0.52 0.00 0.00 55.73 56.11 2rj3 s ARG 4168Cb -0.03 -3.39 -0.09 0.00 0.52 0.00 0.00 34.95 31.96 2rj3 s ARG 4168CO 0.92 0.25 0.70 0.66 0.02 0.00 0.00 175.30 177.85 2rj3 n TYR 4169N 3.19 0.00 -0.74 -0.53 4.02 -1.26 -4.47 117.16 117.36 2rj3 n TYR 4169Ca -0.06 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.63 2rj3 n TYR 4169Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 2rj3 n TYR 4169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2rj3 n ASP 4170N -0.81 4.79 -4.61 7.72 10.43 -1.26 -4.44 116.55 128.38 2rj3 n ASP 4170Ca 0.04 -2.29 -0.31 0.00 2.57 0.00 0.00 54.79 54.81 2rj3 n ASP 4170Cb 0.26 -1.07 -0.08 0.00 1.84 0.00 0.00 41.12 42.07 2rj3 n ASP 4170CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2rj3 s THR 4171N 3.05 1.13 0.16 -3.53 -4.23 -1.26 -5.04 115.64 105.92 2rj3 s THR 4171Ca 0.41 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.80 2rj3 s THR 4171Cb 0.12 -2.30 0.04 0.00 1.34 0.00 0.00 72.50 71.71 2rj3 s THR 4171CO -0.03 0.00 1.65 0.22 -0.54 0.00 0.00 174.62 175.92 2rj3 h TYR 4172N 1.50 0.95 0.04 3.99 5.03 -1.98 -3.31 116.97 123.19 2rj3 h TYR 4172Ca -0.42 -0.13 -0.29 0.00 2.58 0.00 0.00 58.73 60.46 2rj3 h TYR 4172Cb 1.30 -0.26 -0.04 0.00 1.55 0.00 0.00 36.73 39.28 2rj3 h TYR 4172CO 1.42 0.85 -1.62 0.66 -1.32 0.00 0.00 178.16 178.15 2rj3 h SER 4173N 0.78 0.12 0.00 -2.11 4.64 -1.97 -3.48 113.55 111.55 2rj3 h SER 4173Ca 0.16 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2rj3 h SER 4173Cb 0.41 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2rj3 h SER 4173CO 0.01 1.20 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 2rj3 n GLY 4174N 1.61 0.60 3.48 -0.77 0.00 -1.25 -5.00 105.19 103.86 2rj3 n GLY 4174Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2rj3 n GLY 4174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rj3 s ARG 4175N -0.36 1.71 -0.02 1.61 1.70 -1.26 -4.93 118.95 117.40 2rj3 s ARG 4175Ca 0.00 -1.67 0.04 0.00 -0.47 0.00 0.00 55.73 53.63 2rj3 s ARG 4175Cb 0.00 -1.83 -0.01 0.00 -0.57 0.00 0.00 34.95 32.54 2rj3 s ARG 4175CO 0.00 0.35 -0.15 0.08 -1.08 0.00 0.00 175.30 174.50 2rj3 s VAL 4176N -2.29 1.19 0.64 4.99 1.01 -1.26 -4.98 120.40 119.71 2rj3 s VAL 4176Ca 0.28 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 2rj3 s VAL 4176Cb -0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 2rj3 s VAL 4176CO 0.14 0.34 1.28 0.54 0.00 0.00 0.00 175.10 177.41 2rj3 s VAL 4177N -0.23 2.12 0.25 2.92 0.11 -1.26 -4.60 120.40 119.72 2rj3 s VAL 4177Ca 0.03 0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 2rj3 s VAL 4177Cb -0.07 -3.01 0.33 0.00 -1.53 0.00 0.00 36.38 32.10 2rj3 s VAL 4177CO -0.00 -0.02 1.56 -0.09 -3.33 0.00 0.00 175.10 173.22 2rj3 h ARG 4178N 0.56 -0.01 -0.93 1.54 2.43 -2.00 0.81 114.38 116.78 2rj3 h ARG 4178Ca -0.51 0.00 0.26 0.00 -0.81 0.00 0.00 59.98 58.92 2rj3 h ARG 4178Cb 1.33 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.84 2rj3 h ARG 4178CO 0.53 -0.00 0.65 -0.09 -1.51 0.00 0.00 179.97 179.55 2rj3 h ARG 4179N -0.01 0.09 -0.06 0.20 1.12 -2.01 -2.17 114.38 111.55 2rj3 h ARG 4179Ca 0.40 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.27 2rj3 h ARG 4179Cb 0.65 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.59 2rj3 h ARG 4179CO -0.99 0.06 0.00 1.19 -3.11 0.00 0.00 179.97 177.13 2rj3 n PHE 4180N -4.33 0.07 -1.86 2.20 3.01 0.22 -4.79 117.46 111.98 2rj3 n PHE 4180Ca 0.20 -0.08 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 2rj3 n PHE 4180Cb 0.93 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.37 2rj3 n PHE 4180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2rj3 s LYS 4181N -0.86 4.16 -1.65 -1.08 1.02 -0.82 -2.48 119.74 118.03 2rj3 s LYS 4181Ca 0.13 2.37 0.00 0.00 0.02 0.00 0.00 55.97 58.49 2rj3 s LYS 4181Cb 0.09 -4.07 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 2rj3 s LYS 4181CO 0.13 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 2rj3 n GLY 4182N 4.32 0.83 0.09 -3.33 0.00 -1.26 -4.91 105.19 100.93 2rj3 n GLY 4182Ca 0.18 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2rj3 n GLY 4182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rj3 h SER 4183N 0.00 0.16 0.03 1.61 4.64 -1.79 -3.25 113.55 114.96 2rj3 h SER 4183Ca -0.37 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2rj3 h SER 4183Cb 1.18 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2rj3 h SER 4183CO 0.49 1.08 -0.02 -0.03 -0.87 0.00 0.00 176.83 177.49 2rj3 h MET 4184N 0.04 -0.05 0.00 4.77 -1.53 -1.91 -0.99 114.93 115.27 2rj3 h MET 4184Ca -0.05 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 2rj3 h MET 4184Cb 1.75 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 32.81 2rj3 h MET 4184CO 0.15 0.08 0.00 -0.85 0.14 0.00 0.00 176.91 176.43 2rj3 n GLU 4185N -5.05 0.21 0.03 0.39 0.28 -1.26 -0.94 120.64 114.30 2rj3 n GLU 4185Ca -0.08 0.39 -0.19 0.00 -0.16 0.00 0.00 57.16 57.12 2rj3 n GLU 4185Cb 0.10 -1.87 -0.09 0.00 1.43 0.00 0.00 31.44 31.01 2rj3 n GLU 4185CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2rj3 h GLU 4186N 0.00 0.68 -0.42 3.44 5.08 -1.50 -2.39 114.58 119.46 2rj3 h GLU 4186Ca 0.00 -0.69 -0.12 0.00 -1.00 0.00 0.00 59.36 57.55 2rj3 h GLU 4186Cb 0.44 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2rj3 h GLU 4186CO 0.00 1.28 -0.19 -1.49 -1.00 0.00 0.00 179.01 177.62 2rj3 h TRP 4187N 0.40 1.01 -0.31 4.33 -0.00 -0.36 -2.42 115.95 118.59 2rj3 h TRP 4187Ca -0.11 -0.24 0.05 0.00 -0.00 0.00 0.00 58.89 58.59 2rj3 h TRP 4187Cb 1.63 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.16 30.50 2rj3 h TRP 4187CO 0.09 1.02 0.02 0.37 -0.00 0.00 0.00 178.44 179.94 2rj3 h GLN 4188N 0.70 0.11 0.00 0.49 4.15 -1.13 0.43 115.11 119.85 2rj3 h GLN 4188Ca 0.10 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2rj3 h GLN 4188Cb 0.75 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 2rj3 h GLN 4188CO 0.06 0.07 -0.14 0.00 -1.93 0.00 0.00 178.83 176.89 2rj3 h ALA 4189N 1.26 1.55 -0.07 3.38 0.00 -1.38 -1.37 119.26 122.63 2rj3 h ALA 4189Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2rj3 h ALA 4189Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2rj3 h ALA 4189CO -0.24 0.17 0.00 -1.33 0.00 0.00 0.00 179.25 177.85 2rj3 n MET 4190N -4.05 1.41 -0.83 0.00 2.81 -0.80 -4.91 117.12 110.74 2rj3 n MET 4190Ca -0.02 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.26 2rj3 n MET 4190Cb 0.22 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2rj3 n MET 4190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2rj3 n GLY 4191N 1.02 0.64 3.73 3.03 0.00 -0.52 -5.02 105.19 108.07 2rj3 n GLY 4191Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2rj3 n GLY 4191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rj3 s VAL 4192N -2.26 2.82 -0.13 1.61 1.01 0.08 -4.71 120.40 118.82 2rj3 s VAL 4192Ca 0.00 0.65 0.18 0.00 0.00 0.00 0.00 61.98 62.81 2rj3 s VAL 4192Cb 0.00 -3.41 -0.23 0.00 0.00 0.00 0.00 36.38 32.74 2rj3 s VAL 4192CO 0.00 0.08 0.46 1.15 0.00 0.00 0.00 175.10 176.80 2rj3 n MET 4193N 2.98 0.66 -3.76 2.72 0.00 -0.68 -4.35 117.12 114.69 2rj3 n MET 4193Ca 0.09 0.05 -0.09 0.00 0.00 0.00 0.00 57.70 57.75 2rj3 n MET 4193Cb 0.40 -1.64 -0.03 0.00 0.00 0.00 0.00 33.22 31.96 2rj3 n MET 4193CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2rj3 s ASN 4194N -5.42 -0.30 -0.17 3.17 4.22 -1.26 -0.03 114.94 115.15 2rj3 s ASN 4194Ca -0.07 -0.49 -0.02 0.00 -2.14 0.00 0.00 52.86 50.14 2rj3 s ASN 4194Cb 0.09 0.65 -0.01 0.00 1.28 0.00 0.00 41.25 43.26 2rj3 s ASN 4194CO 0.84 -1.18 -0.09 -0.31 -2.04 0.00 0.00 177.10 174.32 2rj3 s TYR 4195N -3.89 2.89 0.00 1.54 2.02 -0.19 -0.76 117.35 118.97 2rj3 s TYR 4195Ca 0.10 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 2rj3 s TYR 4195Cb -0.03 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 2rj3 s TYR 4195CO 0.01 -0.31 0.00 -0.85 -1.57 0.00 0.00 175.55 172.83 2rj3 n GLU 4196N 3.97 0.01 0.00 -0.62 -0.00 -0.74 -2.41 120.64 120.86 2rj3 n GLU 4196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2rj3 n GLU 4196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 2rj3 n GLU 4196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2rj3 n MET 4197N 0.00 -0.41 0.00 3.44 2.81 -1.26 0.06 117.12 121.76 2rj3 n MET 4197Ca 0.00 -0.36 0.00 0.00 -1.81 0.00 0.00 57.70 55.53 2rj3 n MET 4197Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 2rj3 n MET 4197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2rj3 n GLU 4198N -0.02 2.17 -0.28 0.03 4.71 -1.26 -3.65 120.64 122.34 2rj3 n GLU 4198Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 2rj3 n GLU 4198Cb 0.12 -0.83 0.08 0.00 -1.01 0.00 0.00 31.44 29.80 2rj3 n GLU 4198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2rj3 h SER 4199N 0.00 1.08 -0.64 1.62 4.64 -1.94 -1.70 113.55 116.61 2rj3 h SER 4199Ca 0.00 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 2rj3 h SER 4199Cb 0.16 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 61.92 2rj3 h SER 4199CO 0.00 0.96 0.37 0.00 -0.87 0.00 0.00 176.83 177.29 2rj3 h ALA 4200N 1.19 0.84 0.07 5.18 0.00 -1.88 0.04 119.26 124.70 2rj3 h ALA 4200Ca 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2rj3 h ALA 4200Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2rj3 h ALA 4200CO -0.02 0.09 -0.03 1.15 0.00 0.00 0.00 179.25 180.44 2rj3 h THR 4201N 0.72 1.23 0.03 0.00 2.02 -1.85 -2.55 112.91 112.50 2rj3 h THR 4201Ca 0.27 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.31 2rj3 h THR 4201Cb 0.09 1.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.42 2rj3 h THR 4201CO -0.14 0.28 -0.33 0.25 0.37 0.00 0.00 175.52 175.95 2rj3 h LEU 4202N -0.63 -0.99 -0.21 2.58 5.85 -1.21 -1.04 115.31 119.65 2rj3 h LEU 4202Ca -0.01 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2rj3 h LEU 4202Cb 0.53 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2rj3 h LEU 4202CO 0.02 -0.40 0.07 -0.07 -0.34 0.00 0.00 178.44 177.72 2rj3 h LEU 4203N -0.50 0.31 -0.26 2.25 4.07 -1.10 -2.18 115.31 117.89 2rj3 h LEU 4203Ca 0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 2rj3 h LEU 4203Cb 0.58 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 2rj3 h LEU 4203CO -0.26 0.41 0.14 0.74 -1.08 0.00 0.00 178.44 178.39 2rj3 h THR 4204N 0.18 1.13 -0.17 0.22 2.02 -1.40 -1.18 112.91 113.72 2rj3 h THR 4204Ca 0.07 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 2rj3 h THR 4204Cb 0.21 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2rj3 h THR 4204CO -0.00 0.12 -0.29 0.00 0.37 0.00 0.00 175.52 175.72 2rj3 h MET 4205N 0.30 0.32 0.01 6.66 -0.00 -1.16 -2.52 114.93 118.55 2rj3 h MET 4205Ca 0.09 -0.12 -0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2rj3 h MET 4205Cb 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 2rj3 h MET 4205CO -0.01 0.59 -0.00 0.00 -0.00 0.00 0.00 176.91 177.48 2rj3 h ALA 4207N 0.00 1.43 -0.13 0.00 0.00 -1.25 0.88 119.26 120.20 2rj3 h ALA 4207Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2rj3 h ALA 4207Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2rj3 h ALA 4207CO 0.00 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 2rj3 n SER 4208N -3.78 2.89 -0.26 0.00 3.41 -0.95 -4.28 113.62 110.65 2rj3 n SER 4208Ca -0.02 -1.93 0.05 0.00 -0.26 0.00 0.00 58.87 56.71 2rj3 n SER 4208Cb 0.16 -0.07 0.07 0.00 -0.26 0.00 0.00 64.21 64.11 2rj3 n SER 4208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rj3 n GLN 4209N 1.21 0.70 -2.87 4.33 6.02 -0.62 -5.01 117.38 121.14 2rj3 n GLN 4209Ca 0.16 -1.83 -0.20 0.00 -0.01 0.00 0.00 57.00 55.12 2rj3 n GLN 4209Cb 0.56 -1.03 0.03 0.00 1.02 0.00 0.00 30.24 30.82 2rj3 n GLN 4209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rj3 n GLY 4210N -0.76 -0.39 3.55 1.08 0.00 -0.86 -5.00 105.19 102.81 2rj3 n GLY 4210Ca 0.08 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2rj3 n GLY 4210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rj3 s LEU 4211N -5.92 2.95 -0.06 0.99 1.43 0.21 -5.04 118.68 113.24 2rj3 s LEU 4211Ca 0.24 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 2rj3 s LEU 4211Cb -0.11 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2rj3 s LEU 4211CO 0.30 0.21 0.46 -0.13 0.23 0.00 0.00 176.35 177.41 2rj3 s ARG 4212N -1.94 4.19 0.00 1.70 0.52 -0.13 -3.72 118.95 119.57 2rj3 s ARG 4212Ca 0.19 0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 55.83 2rj3 s ARG 4212Cb -0.11 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 2rj3 s ARG 4212CO 0.11 0.39 0.03 0.00 0.02 0.00 0.00 175.30 175.84 2rj3 s ALA 4213N -0.12 -0.05 0.04 2.13 0.00 -1.26 -0.64 121.76 121.87 2rj3 s ALA 4213Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 2rj3 s ALA 4213Cb -0.16 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2rj3 s ALA 4213CO 0.12 -0.12 -0.03 0.20 0.00 0.00 0.00 175.76 175.93 2rj3 s GLY 4214N -0.92 0.40 -0.07 0.00 0.00 -0.29 -0.28 107.32 106.17 2rj3 s GLY 4214Ca -0.10 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 2rj3 s GLY 4214CO -0.00 -1.07 -0.04 -0.29 0.00 0.00 0.00 173.10 171.70 2rj3 s MET 4215N -2.95 0.91 0.05 2.90 1.75 -1.26 -1.35 119.30 119.35 2rj3 s MET 4215Ca -0.02 -0.06 0.04 0.00 -1.25 0.00 0.00 55.69 54.41 2rj3 s MET 4215Cb 0.01 -1.06 -0.02 0.00 2.84 0.00 0.00 34.83 36.59 2rj3 s MET 4215CO -0.06 -0.20 -0.12 0.54 -0.65 0.00 0.00 175.02 174.53 2rj3 s VAL 4216N 1.49 0.93 -0.19 10.11 0.11 -0.49 -1.26 120.40 131.09 2rj3 s VAL 4216Ca -0.02 -1.12 -0.21 0.00 -2.93 0.00 0.00 61.98 57.70 2rj3 s VAL 4216Cb -0.13 -0.90 0.06 0.00 -1.53 0.00 0.00 36.38 33.88 2rj3 s VAL 4216CO -0.03 -0.19 0.58 0.00 -3.33 0.00 0.00 175.10 172.12 2rj3 s ALA 4217N -1.14 -1.45 -0.11 1.54 0.00 -0.50 -1.94 121.76 118.16 2rj3 s ALA 4217Ca -0.03 1.55 -0.17 0.00 0.00 0.00 0.00 51.96 53.31 2rj3 s ALA 4217Cb -0.09 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 2rj3 s ALA 4217CO 0.01 -0.29 0.44 0.20 0.00 0.00 0.00 175.76 176.13 2rj3 s GLY 4218N 0.07 2.38 0.09 0.00 0.00 -0.97 -0.70 107.32 108.19 2rj3 s GLY 4218Ca -0.02 -0.23 -0.31 0.00 0.00 0.00 0.00 44.72 44.17 2rj3 s GLY 4218CO 0.02 0.66 1.30 0.14 0.00 0.00 0.00 173.10 175.22 2rj3 s VAL 4219N 0.42 3.66 -0.17 1.40 1.01 -0.34 -1.94 120.40 124.44 2rj3 s VAL 4219Ca 0.24 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.45 2rj3 s VAL 4219Cb -0.15 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2rj3 s VAL 4219CO 0.10 0.09 0.16 2.30 0.00 0.00 0.00 175.10 177.75 2rj3 n ILE 4220N 3.96 0.00 -3.62 2.22 -5.35 -0.11 -1.34 119.36 115.12 2rj3 n ILE 4220Ca 0.10 -0.39 -0.16 0.00 -0.27 0.00 0.00 62.75 62.03 2rj3 n ILE 4220Cb 0.44 0.97 -0.07 0.00 -1.74 0.00 0.00 39.64 39.24 2rj3 n ILE 4220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2rj3 s VAL 4221N -1.40 0.01 -0.27 7.28 0.11 -1.24 -4.36 120.40 120.53 2rj3 s VAL 4221Ca 0.01 -0.09 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 2rj3 s VAL 4221Cb 0.03 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 2rj3 s VAL 4221CO 0.16 -0.05 0.04 0.21 -3.33 0.00 0.00 175.10 172.13 2rj3 s ASN 4222N -0.67 4.87 0.50 3.54 3.84 -1.26 -0.72 114.94 125.03 2rj3 s ASN 4222Ca -0.08 -0.67 0.29 0.00 0.21 0.00 0.00 52.86 52.61 2rj3 s ASN 4222Cb -0.03 -1.82 1.11 0.00 -0.55 0.00 0.00 41.25 39.97 2rj3 s ASN 4222CO 0.06 -0.15 1.89 0.03 -2.79 0.00 0.00 177.10 176.14 2rj3 h ARG 4223N 8.17 0.00 0.00 0.43 2.47 -1.00 -1.27 114.38 123.18 2rj3 h ARG 4223Ca -0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 2rj3 h ARG 4223Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 2rj3 h ARG 4223CO 0.59 0.09 0.00 0.25 0.56 0.00 0.00 179.97 181.47 2rj3 n THR 4224N -3.22 0.64 0.00 2.04 -2.24 -1.26 -3.71 114.28 106.53 2rj3 n THR 4224Ca 0.01 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2rj3 n THR 4224Cb 0.37 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2rj3 n THR 4224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rj3 n GLN 4225N -1.42 2.54 -3.69 -0.78 10.64 -0.89 -5.11 117.38 118.67 2rj3 n GLN 4225Ca 0.06 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.12 2rj3 n GLN 4225Cb 0.19 -0.83 -0.06 0.00 -0.86 0.00 0.00 30.24 28.67 2rj3 n GLN 4225CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2rj3 s GLN 4226N -1.60 0.93 -0.24 2.61 -2.07 -0.53 -5.09 119.66 113.67 2rj3 s GLN 4226Ca 0.00 -0.53 -0.18 0.00 -1.82 0.00 0.00 55.36 52.83 2rj3 s GLN 4226Cb 0.00 0.41 -0.16 0.00 -1.09 0.00 0.00 33.01 32.17 2rj3 s GLN 4226CO 0.00 -0.33 -0.04 0.39 -1.32 0.00 0.00 175.29 174.00 2rj3 n GLU 4227N 0.28 0.58 -3.64 9.60 1.02 -1.26 -3.72 120.64 123.50 2rj3 n GLU 4227Ca -0.18 0.43 -0.36 0.00 -0.02 0.00 0.00 57.16 57.03 2rj3 n GLU 4227Cb 0.61 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 30.31 2rj3 n GLU 4227CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2rj3 s ILE 4228N -2.43 5.35 0.62 -3.67 -1.16 -1.26 -5.01 121.20 113.64 2rj3 s ILE 4228Ca -0.33 0.28 -0.17 0.00 -0.51 0.00 0.00 60.65 59.92 2rj3 s ILE 4228Cb 0.10 -3.53 -0.02 0.00 0.61 0.00 0.00 42.46 39.62 2rj3 s ILE 4228CO 0.55 0.37 1.15 -2.84 -2.81 0.00 0.00 174.94 171.36 2rj3 s PRO 4229N 0.77 2.91 -0.43 3.50 0.02 -1.26 -5.07 135.00 135.44 2rj3 s PRO 4229Ca 0.10 1.59 0.05 0.00 0.02 0.00 0.00 61.00 62.75 2rj3 s PRO 4229Cb -0.13 -1.95 0.29 0.00 0.02 0.00 0.00 34.50 32.73 2rj3 s PRO 4229CO 0.02 -1.20 1.10 -1.71 -0.33 0.00 0.00 177.00 174.89 2rj3 n ASN 4230N -1.96 -2.21 0.00 2.53 4.05 -1.26 -5.10 115.26 111.30 2rj3 n ASN 4230Ca 0.12 -3.01 0.00 0.00 0.45 0.00 0.00 54.58 52.14 2rj3 n ASN 4230Cb 0.51 1.61 0.00 0.00 1.23 0.00 0.00 39.78 43.13 2rj3 n ASN 4230CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2rj3 n GLU 4232N 0.99 0.00 0.00 1.20 2.13 -1.26 -5.13 120.64 118.57 2rj3 n GLU 4232Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2rj3 n GLU 4232Cb 0.69 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.40 2rj3 n GLU 4232CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2rj3 n THR 4233N -2.01 0.00 -0.33 6.31 -2.24 -1.26 -3.00 114.28 111.75 2rj3 n THR 4233Ca 0.00 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.97 2rj3 n THR 4233Cb 0.00 0.00 0.40 0.00 -2.10 0.00 0.00 70.33 68.63 2rj3 n THR 4233CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2rj3 h MET 4234N 0.00 0.39 -0.89 -0.78 2.86 -1.96 -2.52 114.93 112.04 2rj3 h MET 4234Ca 0.00 -0.02 0.31 0.00 -2.06 0.00 0.00 59.70 57.93 2rj3 h MET 4234Cb 0.00 -0.09 -0.16 0.00 0.06 0.00 0.00 31.60 31.41 2rj3 h MET 4234CO 0.00 0.26 0.27 1.17 1.06 0.00 0.00 176.91 179.67 2rj3 n LYS 4235N -5.02 -0.06 -0.02 1.72 4.81 -1.16 -0.98 118.16 117.44 2rj3 n LYS 4235Ca 0.27 1.27 -0.03 0.00 -0.87 0.00 0.00 58.31 58.95 2rj3 n LYS 4235Cb 0.82 -2.16 -0.02 0.00 0.02 0.00 0.00 35.03 33.69 2rj3 n LYS 4235CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2rj3 n GLN 4236N -5.13 0.44 -0.19 1.64 1.13 -1.14 -4.55 117.38 109.59 2rj3 n GLN 4236Ca 0.28 0.03 -0.02 0.00 -1.94 0.00 0.00 57.00 55.34 2rj3 n GLN 4236Cb 0.94 -1.10 0.19 0.00 0.11 0.00 0.00 30.24 30.38 2rj3 n GLN 4236CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2rj3 h THR 4237N 0.00 1.22 0.26 5.09 2.02 -1.21 -0.80 112.91 119.49 2rj3 h THR 4237Ca -0.11 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2rj3 h THR 4237Cb 1.18 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2rj3 h THR 4237CO -0.01 0.27 -0.13 -0.08 0.37 0.00 0.00 175.52 175.93 2rj3 h GLU 4238N 0.95 -0.34 -0.91 6.66 4.81 -1.27 -2.69 114.58 121.78 2rj3 h GLU 4238Ca 0.23 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.68 2rj3 h GLU 4238Cb 0.12 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 2rj3 h GLU 4238CO -0.03 0.01 0.60 0.77 -0.73 0.00 0.00 179.01 179.63 2rj3 h SER 4239N -0.79 0.44 0.85 1.04 0.02 -1.62 0.17 113.55 113.65 2rj3 h SER 4239Ca -0.04 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2rj3 h SER 4239Cb 0.51 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.02 2rj3 h SER 4239CO 0.06 0.17 -0.41 -0.74 -1.14 0.00 0.00 176.83 174.78 2rj3 h HIS 4240N 0.43 -1.05 -0.12 3.45 -0.00 -1.12 -1.26 115.15 115.47 2rj3 h HIS 4240Ca 0.48 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.78 2rj3 h HIS 4240Cb 1.15 0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 28.90 2rj3 h HIS 4240CO -0.00 -0.65 -0.10 0.00 -0.00 0.00 0.00 177.93 177.17 2rj3 h ALA 4241N -1.25 1.61 -0.42 5.26 0.00 -1.09 -2.53 119.26 120.84 2rj3 h ALA 4241Ca -0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2rj3 h ALA 4241Cb 0.87 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2rj3 h ALA 4241CO 0.19 0.29 0.15 0.28 0.00 0.00 0.00 179.25 180.16 2rj3 h VAL 4242N 0.18 1.21 -0.70 0.00 2.07 -0.63 -1.91 116.25 116.47 2rj3 h VAL 4242Ca 0.04 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 66.96 2rj3 h VAL 4242Cb 0.30 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2rj3 h VAL 4242CO 0.02 0.24 0.46 0.11 0.02 0.00 0.00 177.57 178.42 2rj3 h LYS 4243N 0.53 0.68 -0.11 1.57 1.57 -0.79 -1.84 116.57 118.17 2rj3 h LYS 4243Ca 0.14 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2rj3 h LYS 4243Cb 0.23 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2rj3 h LYS 4243CO -0.01 0.45 -0.14 0.82 -0.57 0.00 0.00 179.45 180.00 2rj3 h ILE 4244N 0.70 1.37 -0.16 1.86 2.04 -1.28 -1.86 117.51 120.16 2rj3 h ILE 4244Ca 0.31 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 2rj3 h ILE 4244Cb 0.30 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2rj3 h ILE 4244CO -0.10 0.38 -0.18 1.62 0.00 0.00 0.00 178.15 179.87 2rj3 h VAL 4245N -0.12 1.21 -0.21 1.67 3.04 -1.06 0.11 116.25 120.89 2rj3 h VAL 4245Ca 0.02 -0.97 -0.08 0.00 -1.01 0.00 0.00 66.70 64.66 2rj3 h VAL 4245Cb 0.68 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 31.25 2rj3 h VAL 4245CO 0.03 0.30 -0.19 0.58 -1.01 0.00 0.00 177.57 177.28 2rj3 h VAL 4246N 0.26 1.32 -0.54 1.51 2.07 -1.35 -1.99 116.25 117.53 2rj3 h VAL 4246Ca 0.05 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 2rj3 h VAL 4246Cb 0.48 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2rj3 h VAL 4246CO 0.03 0.41 0.14 -0.08 0.02 0.00 0.00 177.57 178.09 2rj3 h GLU 4247N 0.20 0.83 -0.44 1.57 4.57 -0.99 -2.57 114.58 117.75 2rj3 h GLU 4247Ca 0.04 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 2rj3 h GLU 4247Cb 0.73 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 2rj3 h GLU 4247CO 0.05 0.74 -0.04 0.00 -1.18 0.00 0.00 179.01 178.57 2rj3 h ALA 4248N 1.35 1.10 -0.43 2.92 0.00 -0.71 -2.96 119.26 120.54 2rj3 h ALA 4248Ca 0.18 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2rj3 h ALA 4248Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2rj3 h ALA 4248CO -0.00 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.78 2rj3 h ALA 4249N 1.26 1.15 -0.97 0.00 0.00 -0.97 -2.47 119.26 117.27 2rj3 h ALA 4249Ca 0.13 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.87 2rj3 h ALA 4249Cb 0.49 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 2rj3 h ALA 4249CO 0.03 0.54 0.62 0.00 0.00 0.00 0.00 179.25 180.44 2rj3 h ARG 4250N 0.66 1.01 0.00 0.00 3.08 -1.31 -1.97 114.38 115.84 2rj3 h ARG 4250Ca 0.13 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2rj3 h ARG 4250Cb 0.45 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2rj3 h ARG 4250CO 0.02 0.67 0.00 0.54 -1.07 0.00 0.00 179.97 180.13 2rj3 n ARG 4251N -4.54 0.16 -0.08 0.04 1.74 -0.94 -3.62 116.66 109.42 2rj3 n ARG 4251Ca 0.16 0.02 0.06 0.00 -0.77 0.00 0.00 57.85 57.32 2rj3 n ARG 4251Cb 0.26 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.30 2rj3 n ARG 4251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2rj3 n LEU 4252N -1.42 2.42 -0.05 0.55 4.77 -0.75 -5.03 117.00 117.50 2rj3 n LEU 4252Ca 0.09 -1.41 0.16 0.00 -0.03 0.00 0.00 56.01 54.82 2rj3 n LEU 4252Cb 0.29 -0.10 0.91 0.00 -2.33 0.00 0.00 43.42 42.18 2rj3 n LEU 4252CO 0.24 0.53 1.09 0.18 -1.33 0.00 0.00 177.39 178.10