#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwp s SER 4004N 0.00 -0.89 0.00 -5.58 0.15 -1.26 -4.42 113.70 101.69 3fwp s SER 4004Ca 0.00 1.41 0.28 0.00 0.70 0.00 0.00 55.95 58.33 3fwp s SER 4004Cb 0.00 1.76 0.99 0.00 -1.71 0.00 0.00 66.02 67.06 3fwp s SER 4004CO 0.00 -0.23 1.75 0.47 1.20 0.00 0.00 173.24 176.44 3fwp n ASP 4005N 5.02 0.18 -4.20 5.45 8.00 0.98 -4.87 116.55 127.11 3fwp n ASP 4005Ca -0.15 0.23 -0.18 0.00 0.71 0.00 0.00 54.79 55.40 3fwp n ASP 4005Cb 0.52 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 41.27 3fwp n ASP 4005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3fwp s VAL 4006N -2.99 1.19 0.11 2.53 -7.23 -1.21 -5.03 120.40 107.77 3fwp s VAL 4006Ca 0.13 -1.47 -0.16 0.00 -1.81 0.00 0.00 61.98 58.67 3fwp s VAL 4006Cb 0.18 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 3fwp s VAL 4006CO 0.59 -0.30 1.53 0.15 -0.31 0.00 0.00 175.10 176.76 3fwp h PHE 4007N 3.99 0.67 0.00 2.82 3.57 -1.94 -3.37 116.94 122.68 3fwp h PHE 4007Ca -0.41 -0.13 -0.37 0.00 3.53 0.00 0.00 57.97 60.60 3fwp h PHE 4007Cb 1.19 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.70 3fwp h PHE 4007CO 0.64 0.75 -2.39 0.72 -2.23 0.00 0.00 178.31 175.80 3fwp n HIS 4008N -4.49 0.00 0.16 0.41 8.25 -1.26 -4.62 115.22 113.67 3fwp n HIS 4008Ca -0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.48 3fwp n HIS 4008Cb 0.29 -0.96 0.20 0.00 1.12 0.00 0.00 29.99 30.64 3fwp n HIS 4008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fwp h LEU 4009N 0.00 0.00 0.42 2.41 3.38 -1.92 -3.45 115.31 116.16 3fwp h LEU 4009Ca -0.55 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.25 3fwp h LEU 4009Cb 2.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.76 3fwp h LEU 4009CO -0.04 0.46 -0.25 0.61 0.09 0.00 0.00 178.44 179.31 3fwp n GLY 4010N 0.65 0.13 3.39 0.83 0.00 -1.26 -4.64 105.19 104.28 3fwp n GLY 4010Ca 0.01 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 3fwp n GLY 4010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwp s LEU 4011N -2.95 2.34 0.20 0.99 1.43 -1.26 -4.74 118.68 114.69 3fwp s LEU 4011Ca 0.09 -0.77 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 3fwp s LEU 4011Cb -0.04 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3fwp s LEU 4011CO 0.12 0.16 -0.03 0.42 0.23 0.00 0.00 176.35 177.24 3fwp s THR 4012N -1.18 3.48 0.39 5.49 -4.23 -1.26 -0.01 115.64 118.31 3fwp s THR 4012Ca 0.15 -1.64 0.11 0.00 -1.18 0.00 0.00 61.69 59.13 3fwp s THR 4012Cb -0.10 -2.77 0.33 0.00 1.34 0.00 0.00 72.50 71.30 3fwp s THR 4012CO 0.07 -0.19 1.92 0.50 -0.54 0.00 0.00 174.62 176.38 3fwp h LYS 4013N 2.52 0.56 -1.00 3.99 3.64 -1.96 0.01 116.57 124.34 3fwp h LYS 4013Ca -0.46 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 3fwp h LYS 4013Cb 1.22 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 3fwp h LYS 4013CO 0.57 0.37 0.65 -0.97 -2.27 0.00 0.00 179.45 177.81 3fwp h ASN 4014N 0.58 1.07 -0.41 4.20 -1.24 -1.95 -2.56 115.58 115.27 3fwp h ASN 4014Ca 0.37 -0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.49 3fwp h ASN 4014Cb 0.64 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 3fwp h ASN 4014CO -0.14 0.71 0.29 0.44 -1.29 0.00 0.00 177.43 177.45 3fwp h ASP 4015N 1.23 0.04 1.35 1.15 3.45 -1.38 -2.58 116.42 119.67 3fwp h ASP 4015Ca 0.41 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.79 3fwp h ASP 4015Cb 0.07 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 3fwp h ASP 4015CO -0.14 0.02 -0.39 -0.07 -1.57 0.00 0.00 179.24 177.09 3fwp h LEU 4016N 0.04 0.00 -0.64 1.55 4.07 -1.46 -3.48 115.31 115.39 3fwp h LEU 4016Ca 0.20 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.73 3fwp h LEU 4016Cb 0.73 0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.53 3fwp h LEU 4016CO -0.01 0.39 -0.70 0.00 -1.08 0.00 0.00 178.44 177.04 3fwp n GLN 4017N -3.28 -6.61 -0.68 1.13 1.13 -0.97 -1.74 117.38 106.35 3fwp n GLN 4017Ca 0.02 0.74 0.00 0.00 -1.94 0.00 0.00 57.00 55.82 3fwp n GLN 4017Cb 0.63 -5.71 0.00 0.00 0.11 0.00 0.00 30.24 25.27 3fwp n GLN 4017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fwp n GLY 4018N -1.82 0.82 3.63 1.08 0.00 -1.26 -4.58 105.19 103.06 3fwp n GLY 4018Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 3fwp n GLY 4018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp n ALA 4019N 0.05 0.26 -0.16 4.61 0.00 -0.71 -4.86 120.51 119.70 3fwp n ALA 4019Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3fwp n ALA 4019Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.30 3fwp n ALA 4019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fwp n GLN 4020N 1.64 1.76 -4.66 0.00 6.02 -1.26 -4.28 117.38 116.59 3fwp n GLN 4020Ca 0.12 -0.20 -0.24 0.00 -0.01 0.00 0.00 57.00 56.67 3fwp n GLN 4020Cb 0.29 -0.64 -0.16 0.00 1.02 0.00 0.00 30.24 30.75 3fwp n GLN 4020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3fwp s LEU 4021N -0.62 1.90 -0.04 1.08 0.20 -1.26 -0.66 118.68 119.28 3fwp s LEU 4021Ca 0.00 -0.28 0.05 0.00 0.69 0.00 0.00 54.13 54.59 3fwp s LEU 4021Cb 0.00 -0.79 -0.01 0.00 -0.43 0.00 0.00 46.19 44.96 3fwp s LEU 4021CO 0.00 0.13 -0.17 0.00 -0.29 0.00 0.00 176.35 176.02 3fwp s ALA 4022N 0.00 1.51 -0.18 5.97 0.00 -0.20 -1.78 121.76 127.08 3fwp s ALA 4022Ca -0.01 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 3fwp s ALA 4022Cb -0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 3fwp s ALA 4022CO 0.01 0.30 0.35 0.42 0.00 0.00 0.00 175.76 176.84 3fwp s ILE 4023N -0.08 5.25 -0.53 0.00 1.01 0.33 -1.07 121.20 126.11 3fwp s ILE 4023Ca -0.01 0.64 0.04 0.00 0.00 0.00 0.00 60.65 61.32 3fwp s ILE 4023Cb -0.10 -3.68 0.14 0.00 0.01 0.00 0.00 42.46 38.82 3fwp s ILE 4023CO 0.01 0.32 0.30 0.68 0.00 0.00 0.00 174.94 176.26 3fwp s VAL 4024N 0.85 2.37 0.70 2.92 -7.23 0.57 -1.48 120.40 119.10 3fwp s VAL 4024Ca 0.18 -3.33 -0.11 0.00 -1.81 0.00 0.00 61.98 56.91 3fwp s VAL 4024Cb -0.14 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.19 3fwp s VAL 4024CO 0.06 -0.86 1.08 -2.16 -0.31 0.00 0.00 175.10 172.91 3fwp s PRO 4025N -0.37 2.88 0.07 4.82 0.04 -1.23 -3.32 135.00 137.89 3fwp s PRO 4025Ca 0.19 0.60 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 3fwp s PRO 4025Cb -0.21 -2.01 -0.20 0.00 0.04 0.00 0.00 34.50 32.11 3fwp s PRO 4025CO -0.03 -1.05 1.22 0.78 0.04 0.00 0.00 177.00 177.95 3fwp h GLY 4026N -0.67 0.75 -7.08 0.56 0.00 -1.84 -0.40 103.07 94.40 3fwp h GLY 4026Ca -0.45 -1.18 -0.62 0.00 0.00 0.00 0.00 47.33 45.08 3fwp h GLY 4026CO 0.62 1.05 -0.20 -0.35 0.00 0.00 0.00 176.54 177.65 3fwp s ASP 4027N -7.08 6.30 0.42 0.19 3.68 -1.26 -1.48 116.67 117.44 3fwp s ASP 4027Ca -0.11 0.35 0.21 0.00 2.13 0.00 0.00 52.55 55.13 3fwp s ASP 4027Cb 0.07 -2.22 1.16 0.00 -1.45 0.00 0.00 42.92 40.48 3fwp s ASP 4027CO 0.89 -0.18 1.79 -0.65 0.13 0.00 0.00 175.17 177.15 3fwp h PRO 4028N 8.01 0.33 0.00 4.34 0.11 -1.88 -1.13 132.00 141.78 3fwp h PRO 4028Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fwp h PRO 4028Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fwp h PRO 4028CO 0.67 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 179.06 3fwp n GLU 4029N -4.55 0.10 0.03 1.05 1.02 -1.26 -2.51 120.64 114.51 3fwp n GLU 4029Ca 0.24 0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.60 3fwp n GLU 4029Cb 0.90 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.83 3fwp n GLU 4029CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3fwp n ARG 4030N -1.44 0.30 0.09 3.49 5.12 -0.43 -4.50 116.66 119.30 3fwp n ARG 4030Ca 0.07 -0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.86 3fwp n ARG 4030Cb 0.24 -1.59 -0.06 0.00 -1.16 0.00 0.00 32.46 29.88 3fwp n ARG 4030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3fwp h VAL 4031N 0.00 0.80 -0.76 1.55 2.07 -1.55 -2.38 116.25 115.98 3fwp h VAL 4031Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3fwp h VAL 4031Cb 0.74 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3fwp h VAL 4031CO 0.00 0.00 0.48 -0.08 0.02 0.00 0.00 177.57 177.99 3fwp h GLU 4032N -0.19 0.92 -0.28 1.57 4.81 -1.79 -1.47 114.58 118.15 3fwp h GLU 4032Ca 0.01 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3fwp h GLU 4032Cb 0.19 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3fwp h GLU 4032CO -0.03 0.61 -0.00 0.87 -0.73 0.00 0.00 179.01 179.73 3fwp h LYS 4033N 0.95 0.08 -0.07 1.92 1.57 -1.75 -0.09 116.57 119.17 3fwp h LYS 4033Ca 0.30 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 3fwp h LYS 4033Cb -0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3fwp h LYS 4033CO -0.11 0.05 0.02 0.82 -0.57 0.00 0.00 179.45 179.67 3fwp h ILE 4034N 0.08 1.18 -0.71 1.86 2.04 -1.14 -2.98 117.51 117.84 3fwp h ILE 4034Ca 0.14 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.53 3fwp h ILE 4034Cb 0.18 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 3fwp h ILE 4034CO -0.23 0.16 0.47 0.00 0.00 0.00 0.00 178.15 178.55 3fwp h ALA 4035N 0.82 1.83 0.00 1.87 0.00 -1.02 -1.73 119.26 121.02 3fwp h ALA 4035Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3fwp h ALA 4035Cb 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fwp h ALA 4035CO -0.00 0.03 -0.09 0.00 0.00 0.00 0.00 179.25 179.19 3fwp h ALA 4036N 1.63 1.49 0.00 0.00 0.00 -0.85 -1.90 119.26 119.63 3fwp h ALA 4036Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3fwp h ALA 4036Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3fwp h ALA 4036CO -0.11 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3fwp n LEU 4037N -3.91 0.00 -4.63 0.00 4.77 -0.65 -4.83 117.00 107.75 3fwp n LEU 4037Ca -0.02 0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 55.81 3fwp n LEU 4037Cb 0.18 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 3fwp n LEU 4037CO 0.31 -0.05 -0.25 -0.04 -1.33 0.00 0.00 177.39 176.02 3fwp s MET 4038N -2.28 2.00 0.40 3.23 -1.94 -0.72 -5.13 119.30 114.88 3fwp s MET 4038Ca 0.25 -2.22 -0.24 0.00 -1.71 0.00 0.00 55.69 51.77 3fwp s MET 4038Cb 0.14 -1.27 -0.09 0.00 2.01 0.00 0.00 34.83 35.62 3fwp s MET 4038CO 0.26 -0.29 1.05 -0.51 -0.01 0.00 0.00 175.02 175.53 3fwp s ASP 4039N -3.72 6.74 -1.20 3.03 1.01 0.77 -4.35 116.67 118.93 3fwp s ASP 4039Ca 0.21 2.03 -0.20 0.00 0.71 0.00 0.00 52.55 55.30 3fwp s ASP 4039Cb 0.05 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3fwp s ASP 4039CO 0.11 -0.51 0.70 0.29 0.21 0.00 0.00 175.17 175.97 3fwp n LYS 4040N -0.12 -1.39 -2.35 8.23 5.02 -1.26 0.11 118.16 126.40 3fwp n LYS 4040Ca 0.05 0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 56.29 3fwp n LYS 4040Cb 0.50 -3.88 -0.03 0.00 -0.02 0.00 0.00 35.03 31.60 3fwp n LYS 4040CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3fwp s PRO 4041N -6.38 4.34 -0.07 1.97 0.02 -1.26 -4.35 135.00 129.26 3fwp s PRO 4041Ca 0.39 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.24 3fwp s PRO 4041Cb -0.16 -3.51 0.02 0.00 0.02 0.00 0.00 34.50 30.87 3fwp s PRO 4041CO 0.89 -0.47 -0.06 0.08 -0.33 0.00 0.00 177.00 177.12 3fwp s VAL 4042N 2.04 0.75 0.22 3.83 1.01 0.92 -5.00 120.40 124.17 3fwp s VAL 4042Ca 0.60 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 3fwp s VAL 4042Cb -0.29 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.22 3fwp s VAL 4042CO 0.25 0.30 1.36 -0.75 0.00 0.00 0.00 175.10 176.26 3fwp s LYS 4043N 1.34 4.34 -0.17 2.72 2.20 -1.26 -0.28 119.74 128.64 3fwp s LYS 4043Ca -0.03 2.15 -0.12 0.00 -0.36 0.00 0.00 55.97 57.61 3fwp s LYS 4043Cb -0.14 -3.16 -0.07 0.00 -1.51 0.00 0.00 37.83 32.95 3fwp s LYS 4043CO -0.03 -0.32 -0.27 1.28 -0.36 0.00 0.00 175.35 175.65 3fwp n LEU 4044N 2.53 1.61 -3.45 5.43 4.77 0.02 -4.88 117.00 123.03 3fwp n LEU 4044Ca 0.06 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 3fwp n LEU 4044Cb 0.42 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3fwp n LEU 4044CO 0.59 0.06 0.47 0.00 -1.33 0.00 0.00 177.39 177.17 3fwp s ALA 4045N -2.53 -1.66 -0.23 -1.18 0.00 -1.07 -5.02 121.76 110.07 3fwp s ALA 4045Ca -0.26 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 3fwp s ALA 4045Cb 0.08 0.71 0.11 0.00 0.00 0.00 0.00 23.12 24.02 3fwp s ALA 4045CO 0.35 -0.72 0.27 0.45 0.00 0.00 0.00 175.76 176.11 3fwp s SER 4046N -2.57 1.18 -0.03 0.00 0.15 -1.26 -1.00 113.70 110.17 3fwp s SER 4046Ca 0.01 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 3fwp s SER 4046Cb -0.01 0.58 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 3fwp s SER 4046CO -0.11 -0.33 0.04 -1.00 1.20 0.00 0.00 173.24 173.04 3fwp s HIS 4047N 2.38 0.06 0.00 3.44 3.76 -0.55 -4.99 115.29 119.38 3fwp s HIS 4047Ca 0.09 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 3fwp s HIS 4047Cb -0.15 -0.34 0.00 0.00 1.11 0.00 0.00 32.58 33.20 3fwp s HIS 4047CO -0.17 -0.13 0.00 0.54 -0.85 0.00 0.00 174.74 174.13 3fwp n ARG 4048N 4.60 0.00 -0.17 1.40 1.74 -1.26 -0.66 116.66 122.31 3fwp n ARG 4048Ca -0.19 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.93 3fwp n ARG 4048Cb 0.50 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.06 3fwp n ARG 4048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3fwp n GLU 4049N 14.00 1.77 -3.55 5.56 0.00 -1.26 -4.76 120.64 132.40 3fwp n GLU 4049Ca 0.00 -1.00 -0.41 0.00 0.00 0.00 0.00 57.16 55.75 3fwp n GLU 4049Cb 0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 31.44 30.05 3fwp n GLU 4049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3fwp s PHE 4050N -1.64 3.49 -0.19 -1.84 0.40 0.16 -3.68 117.98 114.68 3fwp s PHE 4050Ca 0.18 -2.10 -0.06 0.00 -0.60 0.00 0.00 56.93 54.35 3fwp s PHE 4050Cb 0.10 -3.49 -0.03 0.00 0.51 0.00 0.00 43.02 40.11 3fwp s PHE 4050CO 0.11 -0.96 0.03 0.99 0.70 0.00 0.00 175.22 176.09 3fwp s THR 4051N 0.78 4.39 -0.04 0.64 2.01 -1.26 -1.48 115.64 120.68 3fwp s THR 4051Ca 0.11 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.97 3fwp s THR 4051Cb -0.22 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.32 3fwp s THR 4051CO -0.03 0.45 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.28 3fwp s SER 4052N 0.63 1.70 0.16 3.53 1.04 -0.17 -1.17 113.70 119.42 3fwp s SER 4052Ca 0.01 -0.27 0.10 0.00 0.48 0.00 0.00 55.95 56.27 3fwp s SER 4052Cb -0.14 -0.54 -0.04 0.00 0.10 0.00 0.00 66.02 65.40 3fwp s SER 4052CO 0.02 0.09 -0.22 0.26 0.98 0.00 0.00 173.24 174.37 3fwp s TRP 4053N 0.25 2.08 0.00 5.02 0.52 0.50 -0.80 118.94 126.52 3fwp s TRP 4053Ca -0.06 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.69 3fwp s TRP 4053Cb -0.11 -1.06 -0.03 0.00 -1.15 0.00 0.00 33.47 31.12 3fwp s TRP 4053CO 0.02 0.39 -0.06 0.50 0.02 0.00 0.00 176.95 177.82 3fwp s ARG 4054N -2.53 2.58 0.22 4.98 3.52 0.62 -0.62 118.95 127.72 3fwp s ARG 4054Ca 0.16 -0.71 0.03 0.00 -0.13 0.00 0.00 55.73 55.09 3fwp s ARG 4054Cb -0.08 -2.52 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 3fwp s ARG 4054CO 0.08 0.61 0.23 0.00 -0.81 0.00 0.00 175.30 175.40 3fwp n ALA 4055N 1.54 0.27 -2.53 6.12 0.00 0.25 -0.05 120.51 126.10 3fwp n ALA 4055Ca -0.15 -1.23 -0.23 0.00 0.00 0.00 0.00 53.44 51.82 3fwp n ALA 4055Cb 0.53 1.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.82 3fwp n ALA 4055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3fwp s GLU 4056N -2.79 1.27 -0.18 0.00 2.02 0.30 -0.92 118.70 118.41 3fwp s GLU 4056Ca 0.24 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.60 3fwp s GLU 4056Cb 0.01 -1.24 0.06 0.00 0.10 0.00 0.00 34.13 33.06 3fwp s GLU 4056CO 0.17 0.34 0.08 -1.17 0.02 0.00 0.00 175.26 174.70 3fwp s LEU 4057N -0.43 0.48 -1.48 1.80 2.96 -0.45 -0.17 118.68 121.40 3fwp s LEU 4057Ca 0.06 -0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 53.18 3fwp s LEU 4057Cb -0.06 -0.30 0.06 0.00 0.50 0.00 0.00 46.19 46.39 3fwp s LEU 4057CO -0.00 -0.35 0.98 0.47 -1.32 0.00 0.00 176.35 176.12 3fwp n ASP 4058N 5.24 -4.51 0.00 3.68 10.43 -1.26 -2.38 116.55 127.75 3fwp n ASP 4058Ca -0.07 -0.75 0.00 0.00 2.57 0.00 0.00 54.79 56.54 3fwp n ASP 4058Cb 0.48 -4.08 0.00 0.00 1.84 0.00 0.00 41.12 39.36 3fwp n ASP 4058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fwp n GLY 4059N -1.72 0.76 3.37 0.44 0.00 -1.26 -5.03 105.19 101.74 3fwp n GLY 4059Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3fwp n GLY 4059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwp s LYS 4060N -0.19 2.50 0.20 1.61 1.02 -1.00 -5.10 119.74 118.79 3fwp s LYS 4060Ca 0.00 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 3fwp s LYS 4060Cb 0.00 -2.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.96 3fwp s LYS 4060CO 0.00 0.50 1.40 0.00 -0.92 0.00 0.00 175.35 176.33 3fwp s ALA 4061N -0.43 3.61 -0.02 5.17 0.00 -1.26 -1.34 121.76 127.48 3fwp s ALA 4061Ca 0.05 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.26 3fwp s ALA 4061Cb -0.12 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.46 3fwp s ALA 4061CO 0.01 -0.66 -0.09 0.08 0.00 0.00 0.00 175.76 175.11 3fwp s VAL 4062N 0.37 0.73 -0.09 0.00 1.01 -0.10 -4.09 120.40 118.23 3fwp s VAL 4062Ca 0.61 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 3fwp s VAL 4062Cb -0.39 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3fwp s VAL 4062CO 0.38 0.22 0.20 -0.63 0.00 0.00 0.00 175.10 175.27 3fwp s ILE 4063N 0.02 5.41 -0.18 2.22 -1.09 -0.73 -0.58 121.20 126.25 3fwp s ILE 4063Ca -0.00 0.32 -0.00 0.00 -2.23 0.00 0.00 60.65 58.73 3fwp s ILE 4063Cb -0.06 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 3fwp s ILE 4063CO 0.00 0.59 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.45 3fwp s VAL 4064N -1.06 2.42 -0.03 2.92 1.01 0.20 -0.52 120.40 125.35 3fwp s VAL 4064Ca 0.18 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 3fwp s VAL 4064Cb -0.13 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.24 3fwp s VAL 4064CO 0.07 0.51 0.03 0.00 0.00 0.00 0.00 175.10 175.71 3fwp s SER 4066N 1.40 5.48 -0.01 0.00 1.04 -0.31 -3.49 113.70 117.81 3fwp s SER 4066Ca -0.05 2.06 0.13 0.00 0.48 0.00 0.00 55.95 58.57 3fwp s SER 4066Cb -0.13 -2.56 -0.16 0.00 0.10 0.00 0.00 66.02 63.27 3fwp s SER 4066CO -0.03 -1.38 0.45 0.35 0.98 0.00 0.00 173.24 173.61 3fwp n THR 4067N -1.83 0.00 -0.91 2.02 -2.24 -0.16 -4.46 114.28 106.70 3fwp n THR 4067Ca 0.11 -0.23 0.12 0.00 -2.27 0.00 0.00 64.05 61.78 3fwp n THR 4067Cb 0.52 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 3fwp n THR 4067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fwp n GLY 4068N 1.44 -1.68 3.71 3.38 0.00 -0.55 -3.09 105.19 108.41 3fwp n GLY 4068Ca 0.01 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 3fwp n GLY 4068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwp s ILE 4069N -1.79 4.95 0.00 -0.61 1.01 -1.26 -4.68 121.20 118.81 3fwp s ILE 4069Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.42 3fwp s ILE 4069Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.28 3fwp s ILE 4069CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3fwp n GLY 4070N 3.02 2.24 0.23 6.18 0.00 -1.26 -4.62 105.19 110.99 3fwp n GLY 4070Ca 0.03 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.23 3fwp n GLY 4070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fwp h GLY 4071N 0.00 0.47 0.24 -0.02 0.00 -1.84 -2.10 103.07 99.82 3fwp h GLY 4071Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.53 3fwp h GLY 4071CO 0.00 -0.22 -0.38 -2.55 0.00 0.00 0.00 176.54 173.39 3fwp h PRO 4072N 0.02 -0.54 -0.54 4.80 0.11 -1.94 0.38 132.00 134.29 3fwp h PRO 4072Ca 0.29 0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.38 3fwp h PRO 4072Cb 0.45 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 3fwp h PRO 4072CO -0.59 -0.36 0.11 1.03 -0.21 0.00 0.00 178.00 177.98 3fwp h SER 4073N -0.56 0.79 -0.55 -2.05 0.87 -1.79 -2.36 113.55 107.90 3fwp h SER 4073Ca 0.05 -0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.51 3fwp h SER 4073Cb 0.63 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 3fwp h SER 4073CO -0.28 0.79 0.27 0.74 -0.53 0.00 0.00 176.83 177.83 3fwp h THR 4074N 0.81 0.93 -0.28 2.23 2.02 -0.92 -2.09 112.91 115.61 3fwp h THR 4074Ca 0.17 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3fwp h THR 4074Cb 0.33 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3fwp h THR 4074CO 0.00 0.09 0.02 0.77 0.37 0.00 0.00 175.52 176.78 3fwp h SER 4075N 0.52 0.39 0.03 4.18 4.64 0.28 -0.44 113.55 123.14 3fwp h SER 4075Ca 0.25 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3fwp h SER 4075Cb 0.18 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3fwp h SER 4075CO -0.18 0.44 -0.01 0.40 -0.87 0.00 0.00 176.83 176.60 3fwp h ILE 4076N 0.41 1.28 -0.37 0.95 2.04 -1.23 -1.78 117.51 118.80 3fwp h ILE 4076Ca 0.09 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 64.98 3fwp h ILE 4076Cb 0.24 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 3fwp h ILE 4076CO 0.00 0.26 0.14 0.00 0.00 0.00 0.00 178.15 178.55 3fwp h ALA 4077N 0.46 0.44 -0.37 1.87 0.00 -0.98 -1.56 119.26 119.12 3fwp h ALA 4077Ca -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3fwp h ALA 4077Cb 0.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3fwp h ALA 4077CO 0.01 -0.25 0.02 0.28 0.00 0.00 0.00 179.25 179.30 3fwp h VAL 4078N 0.30 1.25 -0.13 0.00 2.07 -1.14 -0.44 116.25 118.16 3fwp h VAL 4078Ca 0.17 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3fwp h VAL 4078Cb 0.14 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3fwp h VAL 4078CO -0.17 0.32 0.06 -0.08 0.02 0.00 0.00 177.57 177.72 3fwp h GLU 4079N 0.46 0.20 -0.16 1.57 4.57 -1.17 0.11 114.58 120.15 3fwp h GLU 4079Ca 0.11 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.11 3fwp h GLU 4079Cb 0.43 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3fwp h GLU 4079CO 0.02 0.28 -0.51 0.93 -1.18 0.00 0.00 179.01 178.54 3fwp h GLU 4080N 0.07 0.46 -0.73 1.92 5.08 -1.26 0.39 114.58 120.51 3fwp h GLU 4080Ca 0.05 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3fwp h GLU 4080Cb 0.15 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3fwp h GLU 4080CO -0.00 0.86 0.20 -0.07 -1.00 0.00 0.00 179.01 178.99 3fwp h LEU 4081N 0.36 1.09 -0.57 1.33 3.38 -0.97 -1.95 115.31 117.97 3fwp h LEU 4081Ca 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3fwp h LEU 4081Cb 1.02 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3fwp h LEU 4081CO 0.09 1.03 0.32 0.00 0.09 0.00 0.00 178.44 179.97 3fwp h ALA 4082N 1.10 0.73 -0.60 1.53 0.00 -0.43 -0.69 119.26 120.90 3fwp h ALA 4082Ca 0.23 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3fwp h ALA 4082Cb 0.35 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3fwp h ALA 4082CO -0.00 0.24 0.40 1.96 0.00 0.00 0.00 179.25 181.85 3fwp h GLN 4083N 0.77 0.47 -0.01 0.00 4.20 -0.69 -0.76 115.11 119.08 3fwp h GLN 4083Ca 0.20 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3fwp h GLN 4083Cb 0.02 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3fwp h GLN 4083CO -0.03 0.31 -0.09 1.28 -0.67 0.00 0.00 178.83 179.63 3fwp n LEU 4084N -4.47 0.73 0.00 1.46 4.77 -0.75 -4.93 117.00 113.80 3fwp n LEU 4084Ca 0.09 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3fwp n LEU 4084Cb 0.32 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3fwp n LEU 4084CO 0.34 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3fwp n GLY 4085N 1.22 0.91 3.73 -0.72 0.00 -0.29 -4.82 105.19 105.22 3fwp n GLY 4085Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3fwp n GLY 4085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwp s ILE 4086N -2.00 3.49 0.00 -0.61 -1.09 -0.33 -4.56 121.20 116.10 3fwp s ILE 4086Ca 0.00 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 3fwp s ILE 4086Cb 0.00 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3fwp s ILE 4086CO 0.00 0.14 0.00 0.54 -1.23 0.00 0.00 174.94 174.39 3fwp n ARG 4087N 3.12 3.97 -4.33 2.79 5.12 0.16 -4.11 116.66 123.39 3fwp n ARG 4087Ca 0.07 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.75 3fwp n ARG 4087Cb 0.44 -0.65 -0.17 0.00 -1.16 0.00 0.00 32.46 30.92 3fwp n ARG 4087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3fwp s THR 4088N -1.26 1.02 -0.12 0.55 2.01 -0.86 -0.68 115.64 116.30 3fwp s THR 4088Ca 0.00 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.66 3fwp s THR 4088Cb 0.00 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.55 3fwp s THR 4088CO 0.00 0.34 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.71 3fwp s PHE 4089N 1.00 2.41 -0.28 4.92 0.40 0.80 -1.04 117.98 126.19 3fwp s PHE 4089Ca -0.09 -1.12 -0.01 0.00 -0.60 0.00 0.00 56.93 55.12 3fwp s PHE 4089Cb -0.15 -1.65 0.05 0.00 0.51 0.00 0.00 43.02 41.78 3fwp s PHE 4089CO -0.00 -0.51 -0.04 -0.51 0.70 0.00 0.00 175.22 174.86 3fwp s LEU 4090N 0.71 3.64 0.03 -0.37 1.43 -0.23 -1.11 118.68 122.78 3fwp s LEU 4090Ca -0.11 -1.20 -0.28 0.00 -1.03 0.00 0.00 54.13 51.51 3fwp s LEU 4090Cb -0.16 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3fwp s LEU 4090CO 0.02 -0.21 0.89 -0.60 0.23 0.00 0.00 176.35 176.67 3fwp s ARG 4091N 1.24 4.57 -0.21 1.70 3.52 0.01 -0.31 118.95 129.46 3fwp s ARG 4091Ca -0.05 1.28 0.01 0.00 -0.13 0.00 0.00 55.73 56.84 3fwp s ARG 4091Cb -0.19 -3.41 0.03 0.00 -1.56 0.00 0.00 34.95 29.81 3fwp s ARG 4091CO -0.03 0.12 -0.15 -1.50 -0.81 0.00 0.00 175.30 172.93 3fwp s ILE 4092N 0.45 2.29 0.27 4.11 1.10 -1.21 -1.53 121.20 126.69 3fwp s ILE 4092Ca 0.46 -1.07 0.03 0.00 -0.51 0.00 0.00 60.65 59.55 3fwp s ILE 4092Cb -0.21 -2.09 -0.01 0.00 0.15 0.00 0.00 42.46 40.30 3fwp s ILE 4092CO 0.26 0.36 0.11 0.61 -2.11 0.00 0.00 174.94 174.16 3fwp n GLY 4093N 4.60 3.50 3.62 1.50 0.00 -0.60 -3.99 105.19 113.82 3fwp n GLY 4093Ca -0.19 -2.03 -0.25 0.00 0.00 0.00 0.00 46.02 43.55 3fwp n GLY 4093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fwp s THR 4094N -2.61 3.44 0.00 2.61 -4.23 -1.26 -2.04 115.64 111.56 3fwp s THR 4094Ca 0.15 -1.69 -0.24 0.00 -1.18 0.00 0.00 61.69 58.73 3fwp s THR 4094Cb 0.01 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 71.14 3fwp s THR 4094CO 0.11 -0.21 0.53 0.28 -0.54 0.00 0.00 174.62 174.78 3fwp s THR 4095N -1.95 0.03 -0.27 3.99 -1.32 -0.69 -4.85 115.64 110.58 3fwp s THR 4095Ca 0.28 -0.21 -0.09 0.00 -1.21 0.00 0.00 61.69 60.46 3fwp s THR 4095Cb -0.08 -0.92 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 3fwp s THR 4095CO 0.18 -0.12 0.14 -0.83 -2.21 0.00 0.00 174.62 171.78 3fwp s GLY 4096N -1.60 1.85 0.39 6.08 0.00 -1.17 -0.79 107.32 112.08 3fwp s GLY 4096Ca -0.09 -1.13 -0.24 0.00 0.00 0.00 0.00 44.72 43.26 3fwp s GLY 4096CO 0.03 0.61 1.04 0.00 0.00 0.00 0.00 173.10 174.78 3fwp s ALA 4097N 1.69 3.11 -0.07 3.20 0.00 0.04 -1.24 121.76 128.49 3fwp s ALA 4097Ca 0.07 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.71 3fwp s ALA 4097Cb -0.16 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3fwp s ALA 4097CO 0.07 -0.16 0.75 0.44 0.00 0.00 0.00 175.76 176.86 3fwp n ILE 4098N 0.03 0.46 -3.95 0.00 -5.35 0.25 -0.06 119.36 110.73 3fwp n ILE 4098Ca 0.04 -0.73 -0.37 0.00 -0.27 0.00 0.00 62.75 61.43 3fwp n ILE 4098Cb 0.50 0.78 -0.07 0.00 -1.74 0.00 0.00 39.64 39.11 3fwp n ILE 4098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fwp s GLN 4099N -0.49 3.39 0.35 6.28 -1.52 -1.23 -4.73 119.66 121.72 3fwp s GLN 4099Ca 0.01 -0.18 0.07 0.00 -1.95 0.00 0.00 55.36 53.31 3fwp s GLN 4099Cb 0.01 -3.13 0.66 0.00 -0.22 0.00 0.00 33.01 30.33 3fwp s GLN 4099CO 0.01 0.75 1.88 -1.35 -0.25 0.00 0.00 175.29 176.33 3fwp h PRO 4100N 5.07 0.39 0.00 2.91 0.11 -1.96 -2.85 132.00 135.66 3fwp h PRO 4100Ca -0.54 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.48 3fwp h PRO 4100Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fwp h PRO 4100CO 0.58 0.49 0.00 -2.39 -0.21 0.00 0.00 178.00 176.47 3fwp n HIS 4101N -4.26 0.62 -3.00 0.65 1.44 -1.26 -4.71 115.22 104.71 3fwp n HIS 4101Ca 0.00 0.19 -0.41 0.00 -2.01 0.00 0.00 57.72 55.49 3fwp n HIS 4101Cb 0.27 -0.80 -0.05 0.00 0.12 0.00 0.00 29.99 29.53 3fwp n HIS 4101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3fwp s ILE 4102N -3.08 4.91 0.30 0.61 1.01 -1.08 -5.05 121.20 118.83 3fwp s ILE 4102Ca 0.11 1.37 -0.03 0.00 0.00 0.00 0.00 60.65 62.10 3fwp s ILE 4102Cb 0.14 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 3fwp s ILE 4102CO 0.55 -0.02 0.54 0.20 0.00 0.00 0.00 174.94 176.22 3fwp s ASN 4103N 1.38 6.39 0.24 3.58 0.01 -1.26 -4.88 114.94 120.40 3fwp s ASN 4103Ca 0.31 0.62 -0.31 0.00 -0.71 0.00 0.00 52.86 52.77 3fwp s ASN 4103Cb -0.15 -2.10 -0.12 0.00 0.41 0.00 0.00 41.25 39.29 3fwp s ASN 4103CO 0.08 -0.21 1.65 -0.69 -1.51 0.00 0.00 177.10 176.42 3fwp s VAL 4104N -2.14 2.09 0.00 1.60 1.01 -1.26 -1.93 120.40 119.77 3fwp s VAL 4104Ca 0.42 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3fwp s VAL 4104Cb -0.10 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3fwp s VAL 4104CO 0.32 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3fwp n GLY 4105N 3.13 1.22 3.71 4.51 0.00 0.42 -4.99 105.19 113.19 3fwp n GLY 4105Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3fwp n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fwp s ASP 4106N -2.16 3.61 -0.12 1.61 -0.00 -0.81 -4.71 116.67 114.08 3fwp s ASP 4106Ca 0.00 1.76 0.01 0.00 -0.00 0.00 0.00 52.55 54.32 3fwp s ASP 4106Cb 0.00 -2.40 -0.01 0.00 -0.00 0.00 0.00 42.92 40.51 3fwp s ASP 4106CO 0.00 -2.59 -0.16 -0.69 -0.00 0.00 0.00 175.17 171.73 3fwp s VAL 4107N -2.84 2.79 -0.18 -1.27 1.01 0.30 -1.34 120.40 118.88 3fwp s VAL 4107Ca 0.63 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3fwp s VAL 4107Cb -0.19 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 3fwp s VAL 4107CO 0.57 0.54 -0.13 -0.76 0.00 0.00 0.00 175.10 175.32 3fwp s LEU 4108N 0.28 2.57 -0.23 3.92 1.43 0.29 -1.18 118.68 125.76 3fwp s LEU 4108Ca -0.12 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 3fwp s LEU 4108Cb -0.16 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3fwp s LEU 4108CO 0.06 0.05 0.11 -0.69 0.23 0.00 0.00 176.35 176.12 3fwp s VAL 4109N 1.04 4.97 -0.22 -1.59 1.01 0.09 -1.23 120.40 124.47 3fwp s VAL 4109Ca -0.01 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 3fwp s VAL 4109Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 3fwp s VAL 4109CO -0.03 0.37 0.44 -0.89 0.00 0.00 0.00 175.10 175.00 3fwp s THR 4110N 1.02 5.15 0.01 3.92 2.01 -0.48 -1.41 115.64 125.85 3fwp s THR 4110Ca 0.06 0.77 -0.07 0.00 0.31 0.00 0.00 61.69 62.76 3fwp s THR 4110Cb -0.14 -3.77 -0.30 0.00 0.01 0.00 0.00 72.50 68.31 3fwp s THR 4110CO 0.04 0.19 0.87 0.71 -0.69 0.00 0.00 174.62 175.74 3fwp h THR 4111N 5.18 1.17 -2.48 -0.82 1.35 -1.34 -3.41 112.91 112.56 3fwp h THR 4111Ca -0.33 -2.75 0.09 0.00 -0.55 0.00 0.00 66.41 62.86 3fwp h THR 4111Cb 1.16 2.83 -0.13 0.00 -1.73 0.00 0.00 68.15 70.28 3fwp h THR 4111CO 0.71 0.83 0.42 0.00 -0.25 0.00 0.00 175.52 177.23 3fwp s ALA 4112N -2.61 -1.71 0.05 6.62 0.00 -1.25 -0.72 121.76 122.12 3fwp s ALA 4112Ca -0.10 0.67 0.08 0.00 0.00 0.00 0.00 51.96 52.61 3fwp s ALA 4112Cb 0.06 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 3fwp s ALA 4112CO 0.87 -0.79 -0.22 -1.12 0.00 0.00 0.00 175.76 174.50 3fwp s SER 4113N -2.65 2.68 0.00 0.00 0.01 -0.20 -1.86 113.70 111.69 3fwp s SER 4113Ca 0.06 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 3fwp s SER 4113Cb -0.01 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 3fwp s SER 4113CO -0.07 0.19 1.40 -0.69 0.41 0.00 0.00 173.24 174.47 3fwp s VAL 4114N -0.81 3.71 -1.20 3.43 1.01 0.21 -4.35 120.40 122.40 3fwp s VAL 4114Ca 0.09 1.10 -0.16 0.00 0.00 0.00 0.00 61.98 63.01 3fwp s VAL 4114Cb -0.09 -3.71 0.13 0.00 0.00 0.00 0.00 36.38 32.71 3fwp s VAL 4114CO 0.02 -0.00 1.51 -0.13 0.00 0.00 0.00 175.10 176.50 3fwp s ARG 4115N 2.37 3.99 -0.38 2.72 0.52 -1.26 -1.41 118.95 125.49 3fwp s ARG 4115Ca 0.64 -2.24 0.03 0.00 -0.52 0.00 0.00 55.73 53.64 3fwp s ARG 4115Cb -0.31 -5.22 0.55 0.00 0.52 0.00 0.00 34.95 30.48 3fwp s ARG 4115CO 0.26 -1.95 1.77 1.28 0.02 0.00 0.00 175.30 176.68 3fwp n LEU 4116N 6.80 6.15 -4.74 2.53 4.77 -0.20 -4.93 117.00 127.39 3fwp n LEU 4116Ca 0.39 -3.28 -0.29 0.00 -0.03 0.00 0.00 56.01 52.81 3fwp n LEU 4116Cb 0.45 -0.79 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 3fwp n LEU 4116CO 0.66 0.97 -0.20 1.51 -1.33 0.00 0.00 177.39 179.01 3fwp s ASP 4117N -0.92 4.21 -0.14 -1.43 3.84 -1.17 -1.24 116.67 119.81 3fwp s ASP 4117Ca 0.48 -1.38 0.11 0.00 -0.00 0.00 0.00 52.55 51.76 3fwp s ASP 4117Cb 0.40 0.01 -0.17 0.00 -1.38 0.00 0.00 42.92 41.79 3fwp s ASP 4117CO 0.09 -0.70 0.02 0.61 -0.00 0.00 0.00 175.17 175.18 3fwp n GLY 4118N -1.25 -0.63 0.22 2.12 0.00 -1.26 -4.70 105.19 99.69 3fwp n GLY 4118Ca -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 3fwp n GLY 4118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp h ALA 4119N 0.59 1.19 -0.75 4.61 0.00 -1.98 -2.49 119.26 120.44 3fwp h ALA 4119Ca -0.38 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.29 3fwp h ALA 4119Cb 1.83 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 3fwp h ALA 4119CO 0.01 0.53 0.49 0.66 0.00 0.00 0.00 179.25 180.94 3fwp h SER 4120N 0.28 0.52 0.54 0.00 4.64 -1.84 -0.01 113.55 117.68 3fwp h SER 4120Ca 0.04 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3fwp h SER 4120Cb 0.68 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3fwp h SER 4120CO 0.05 0.30 0.00 0.18 -0.87 0.00 0.00 176.83 176.49 3fwp n LEU 4121N -4.50 0.34 -0.15 5.97 4.77 -0.94 -1.54 117.00 120.96 3fwp n LEU 4121Ca 0.13 0.59 0.14 0.00 -0.03 0.00 0.00 56.01 56.85 3fwp n LEU 4121Cb 0.40 -0.56 0.66 0.00 -2.33 0.00 0.00 43.42 41.60 3fwp n LEU 4121CO 0.32 -0.45 0.92 1.41 -1.33 0.00 0.00 177.39 178.26 3fwp n HIS 4122N -1.88 0.00 0.00 -1.77 8.25 -0.02 -4.09 115.22 115.71 3fwp n HIS 4122Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3fwp n HIS 4122Cb 0.18 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.17 3fwp n HIS 4122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3fwp n PHE 4123N -0.78 0.00 -3.60 4.41 3.01 -0.59 -5.09 117.46 114.83 3fwp n PHE 4123Ca 0.17 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.47 3fwp n PHE 4123Cb 0.26 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.66 3fwp n PHE 4123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fwp s ALA 4124N -1.96 -1.57 0.99 4.37 0.00 -0.88 -4.99 121.76 117.72 3fwp s ALA 4124Ca 0.00 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 3fwp s ALA 4124Cb 0.00 -0.29 0.18 0.00 0.00 0.00 0.00 23.12 23.01 3fwp s ALA 4124CO 0.00 -0.33 1.08 -1.25 0.00 0.00 0.00 175.76 175.26 3fwp s PRO 4125N -0.77 0.53 0.54 0.00 0.04 -1.26 -3.99 135.00 130.07 3fwp s PRO 4125Ca -0.08 0.76 0.20 0.00 0.04 0.00 0.00 61.00 61.92 3fwp s PRO 4125Cb -0.02 -1.73 1.40 0.00 0.04 0.00 0.00 34.50 34.19 3fwp s PRO 4125CO 0.07 -2.73 2.14 1.98 0.04 0.00 0.00 177.00 178.49 3fwp h MET 4126N -1.90 0.00 -0.42 4.56 4.05 -1.94 -1.37 114.93 117.91 3fwp h MET 4126Ca -0.53 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 58.97 3fwp h MET 4126Cb 1.31 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.09 3fwp h MET 4126CO 0.54 0.00 0.29 0.93 0.23 0.00 0.00 176.91 178.90 3fwp h GLU 4127N 0.00 0.20 -6.69 0.39 3.07 -2.03 -3.43 114.58 106.09 3fwp h GLU 4127Ca 0.05 -0.01 -0.52 0.00 -0.50 0.00 0.00 59.36 58.37 3fwp h GLU 4127Cb 0.21 -0.05 0.04 0.00 -0.84 0.00 0.00 28.75 28.11 3fwp h GLU 4127CO -0.00 0.13 0.66 0.12 -1.40 0.00 0.00 179.01 178.52 3fwp s PHE 4128N -5.21 3.23 0.13 4.33 2.19 -0.52 -4.99 117.98 117.14 3fwp s PHE 4128Ca -0.06 1.21 -0.30 0.00 0.33 0.00 0.00 56.93 58.10 3fwp s PHE 4128Cb 0.19 -3.63 -0.07 0.00 -1.31 0.00 0.00 43.02 38.20 3fwp s PHE 4128CO 0.72 -1.96 1.08 -1.25 1.83 0.00 0.00 175.22 175.65 3fwp s PRO 4129N -0.18 4.58 -1.26 10.12 0.04 -1.26 -4.93 135.00 142.11 3fwp s PRO 4129Ca 0.57 1.66 -0.15 0.00 0.04 0.00 0.00 61.00 63.12 3fwp s PRO 4129Cb -0.37 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 3fwp s PRO 4129CO 0.39 0.04 2.23 0.00 0.04 0.00 0.00 177.00 179.70 3fwp n ALA 4130N 2.80 5.15 -2.83 8.56 0.00 -1.26 -4.69 120.51 128.23 3fwp n ALA 4130Ca 0.04 -3.55 -0.36 0.00 0.00 0.00 0.00 53.44 49.56 3fwp n ALA 4130Cb 0.47 -3.51 -0.07 0.00 0.00 0.00 0.00 19.45 16.34 3fwp n ALA 4130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fwp s VAL 4131N 3.57 5.20 0.68 0.00 0.11 -1.26 -1.03 120.40 127.67 3fwp s VAL 4131Ca 0.52 0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 59.53 3fwp s VAL 4131Cb 0.14 -3.25 0.01 0.00 -1.53 0.00 0.00 36.38 31.75 3fwp s VAL 4131CO -0.03 0.61 1.07 0.00 -3.33 0.00 0.00 175.10 173.43 3fwp s ALA 4132N -1.00 2.56 0.29 1.54 0.00 0.10 -4.64 121.76 120.61 3fwp s ALA 4132Ca 0.15 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 3fwp s ALA 4132Cb -0.12 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 3fwp s ALA 4132CO 0.04 -1.25 1.28 0.34 0.00 0.00 0.00 175.76 176.17 3fwp s ASP 4133N -3.23 6.87 0.16 0.00 -1.08 0.56 -4.95 116.67 115.01 3fwp s ASP 4133Ca 0.62 2.55 -0.13 0.00 -0.52 0.00 0.00 52.55 55.07 3fwp s ASP 4133Cb -0.16 -2.63 0.06 0.00 -1.46 0.00 0.00 42.92 38.72 3fwp s ASP 4133CO 0.48 -0.48 1.71 0.15 0.52 0.00 0.00 175.17 177.55 3fwp h PHE 4134N 4.05 0.85 -0.55 -5.34 3.57 -1.95 -1.22 116.94 116.34 3fwp h PHE 4134Ca -0.47 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 60.87 3fwp h PHE 4134Cb 1.22 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 3fwp h PHE 4134CO 0.58 0.70 0.01 0.00 -2.23 0.00 0.00 178.31 177.37 3fwp h ALA 4135N 1.06 0.74 -0.28 2.41 0.00 -1.95 -0.65 119.26 120.58 3fwp h ALA 4135Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3fwp h ALA 4135Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fwp h ALA 4135CO -0.01 0.56 0.12 0.00 0.00 0.00 0.00 179.25 179.92 3fwp h THR 4137N 0.31 1.21 -0.26 0.00 2.02 -1.14 -1.27 112.91 113.79 3fwp h THR 4137Ca 0.10 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3fwp h THR 4137Cb 0.15 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3fwp h THR 4137CO -0.01 0.24 0.17 0.74 0.37 0.00 0.00 175.52 177.03 3fwp h THR 4138N 0.85 1.07 -0.64 3.16 2.02 -0.97 -1.06 112.91 117.33 3fwp h THR 4138Ca 0.21 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 3fwp h THR 4138Cb 0.10 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3fwp h THR 4138CO -0.03 0.07 0.39 0.00 0.37 0.00 0.00 175.52 176.32 3fwp h ALA 4139N 1.09 1.48 -0.21 6.16 0.00 -0.74 0.82 119.26 127.86 3fwp h ALA 4139Ca 0.09 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3fwp h ALA 4139Cb -0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3fwp h ALA 4139CO -0.02 0.45 -0.17 -0.07 0.00 0.00 0.00 179.25 179.45 3fwp h LEU 4140N 0.88 0.51 -0.24 0.00 3.38 -0.91 0.16 115.31 119.09 3fwp h LEU 4140Ca 0.23 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3fwp h LEU 4140Cb -0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fwp h LEU 4140CO -0.05 0.86 0.13 0.58 0.09 0.00 0.00 178.44 180.05 3fwp h VAL 4141N 0.17 1.12 -0.40 1.22 2.07 -0.87 -0.51 116.25 119.06 3fwp h VAL 4141Ca 0.04 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3fwp h VAL 4141Cb 0.69 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3fwp h VAL 4141CO 0.04 0.12 0.17 -0.33 0.02 0.00 0.00 177.57 177.59 3fwp h GLU 4142N 0.28 0.60 -0.95 1.57 4.39 -0.84 -2.40 114.58 117.22 3fwp h GLU 4142Ca 0.08 -0.10 0.07 0.00 0.34 0.00 0.00 59.36 59.75 3fwp h GLU 4142Cb 0.08 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.56 3fwp h GLU 4142CO -0.01 0.56 0.62 0.00 -1.16 0.00 0.00 179.01 179.01 3fwp h ALA 4143N 1.01 1.47 -0.89 3.43 0.00 -0.60 -1.96 119.26 121.72 3fwp h ALA 4143Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3fwp h ALA 4143Cb 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3fwp h ALA 4143CO -0.01 0.39 0.50 0.00 0.00 0.00 0.00 179.25 180.13 3fwp h ALA 4144N 1.49 1.14 -0.46 0.00 0.00 -0.69 -0.44 119.26 120.31 3fwp h ALA 4144Ca 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3fwp h ALA 4144Cb 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3fwp h ALA 4144CO -0.16 0.64 0.17 0.87 0.00 0.00 0.00 179.25 180.76 3fwp h LYS 4145N 1.24 0.70 0.37 0.00 1.57 -0.96 -0.99 116.57 118.50 3fwp h LYS 4145Ca 0.32 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3fwp h LYS 4145Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3fwp h LYS 4145CO -0.05 0.65 -0.24 1.03 -0.57 0.00 0.00 179.45 180.26 3fwp h SER 4146N 0.60 -0.61 0.27 0.86 0.87 -0.86 -3.17 113.55 111.52 3fwp h SER 4146Ca 0.15 0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 3fwp h SER 4146Cb 0.22 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3fwp h SER 4146CO -0.01 -0.38 -0.57 0.40 -0.53 0.00 0.00 176.83 175.74 3fwp h ILE 4147N -0.59 1.36 -1.61 2.23 1.08 -1.12 -3.49 117.51 115.36 3fwp h ILE 4147Ca -0.04 -1.88 0.00 0.00 -0.39 0.00 0.00 64.86 62.55 3fwp h ILE 4147Cb 0.50 1.91 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 3fwp h ILE 4147CO 0.03 0.56 0.00 0.61 -0.69 0.00 0.00 178.15 178.66 3fwp n GLY 4148N 0.21 -1.55 3.43 5.37 0.00 -0.38 -5.10 105.19 107.16 3fwp n GLY 4148Ca -0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 3fwp n GLY 4148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp s ALA 4149N 0.00 -1.42 -0.24 4.61 0.00 -1.20 -5.06 121.76 118.45 3fwp s ALA 4149Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 3fwp s ALA 4149Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 3fwp s ALA 4149CO 0.00 -0.33 1.62 0.99 0.00 0.00 0.00 175.76 178.05 3fwp s THR 4150N -1.09 3.69 -0.09 0.00 2.01 -1.26 -4.87 115.64 114.03 3fwp s THR 4150Ca -0.11 0.76 0.04 0.00 0.31 0.00 0.00 61.69 62.70 3fwp s THR 4150Cb -0.02 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 3fwp s THR 4150CO 0.07 -0.33 -0.23 -0.89 -0.69 0.00 0.00 174.62 172.55 3fwp s THR 4151N 5.39 2.15 -0.06 -0.82 2.01 -1.26 -0.53 115.64 122.52 3fwp s THR 4151Ca 0.72 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.77 3fwp s THR 4151Cb -0.24 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 3fwp s THR 4151CO 0.30 0.56 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.56 3fwp s HIS 4152N 0.13 2.50 -0.16 4.92 3.76 -0.33 -4.99 115.29 121.12 3fwp s HIS 4152Ca -0.12 -0.65 0.01 0.00 -0.15 0.00 0.00 55.06 54.15 3fwp s HIS 4152Cb -0.16 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 31.91 3fwp s HIS 4152CO 0.07 -0.17 -0.17 0.08 -0.85 0.00 0.00 174.74 173.69 3fwp s VAL 4153N -0.19 2.43 -1.97 -0.90 1.01 -1.26 -0.73 120.40 118.79 3fwp s VAL 4153Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3fwp s VAL 4153Cb -0.14 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3fwp s VAL 4153CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3fwp n GLY 4154N 4.24 -0.68 3.81 4.51 0.00 -0.50 -4.96 105.19 111.62 3fwp n GLY 4154Ca -0.20 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 3fwp n GLY 4154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwp s VAL 4155N -3.93 4.64 -0.01 1.61 1.01 -1.26 -0.87 120.40 121.59 3fwp s VAL 4155Ca 0.00 1.30 0.08 0.00 0.00 0.00 0.00 61.98 63.36 3fwp s VAL 4155Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3fwp s VAL 4155CO 0.00 0.47 -0.25 -0.89 0.00 0.00 0.00 175.10 174.43 3fwp s THR 4156N -1.21 1.97 -0.26 3.92 2.01 -0.77 -0.79 115.64 120.51 3fwp s THR 4156Ca 0.33 -1.09 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 3fwp s THR 4156Cb -0.20 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 3fwp s THR 4156CO 0.21 0.54 0.57 0.00 -0.69 0.00 0.00 174.62 175.25 3fwp s ALA 4157N -0.60 3.60 -0.36 7.40 0.00 0.45 0.67 121.76 132.92 3fwp s ALA 4157Ca 0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 3fwp s ALA 4157Cb -0.10 -2.96 0.06 0.00 0.00 0.00 0.00 23.12 20.13 3fwp s ALA 4157CO -0.01 -0.78 0.13 0.45 0.00 0.00 0.00 175.76 175.55 3fwp s SER 4158N 1.52 5.30 -0.11 0.00 0.15 -0.50 -1.56 113.70 118.49 3fwp s SER 4158Ca 0.23 -1.38 -0.04 0.00 0.70 0.00 0.00 55.95 55.47 3fwp s SER 4158Cb -0.16 -1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 3fwp s SER 4158CO 0.09 -0.39 0.02 -0.55 1.20 0.00 0.00 173.24 173.61 3fwp s SER 4159N 1.59 5.40 0.00 5.45 0.15 0.09 -1.03 113.70 125.35 3fwp s SER 4159Ca 0.00 0.14 0.13 0.00 0.70 0.00 0.00 55.95 56.92 3fwp s SER 4159Cb -0.21 -1.67 0.56 0.00 -1.71 0.00 0.00 66.02 63.00 3fwp s SER 4159CO 0.01 0.32 1.39 0.47 1.20 0.00 0.00 173.24 176.63 3fwp n ASP 4160N 2.51 0.00 -4.25 5.45 10.43 -0.37 -4.35 116.55 125.97 3fwp n ASP 4160Ca -0.18 0.42 -0.18 0.00 2.57 0.00 0.00 54.79 57.42 3fwp n ASP 4160Cb 0.53 -0.45 -0.11 0.00 1.84 0.00 0.00 41.12 42.93 3fwp n ASP 4160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3fwp s THR 4161N -2.91 1.35 0.06 -3.53 -4.23 -1.26 -5.02 115.64 100.11 3fwp s THR 4161Ca 0.07 -1.80 0.03 0.00 -1.18 0.00 0.00 61.69 58.82 3fwp s THR 4161Cb 0.08 -1.61 -0.24 0.00 1.34 0.00 0.00 72.50 72.07 3fwp s THR 4161CO 0.22 -0.47 1.08 0.15 -0.54 0.00 0.00 174.62 175.06 3fwp h PHE 4162N 3.36 0.21 0.00 3.99 3.04 -1.97 -3.38 116.94 122.18 3fwp h PHE 4162Ca -0.39 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.40 3fwp h PHE 4162Cb 1.20 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.70 3fwp h PHE 4162CO 0.66 1.15 0.00 0.66 -2.02 0.00 0.00 178.31 178.75 3fwp n TYR 4163N -3.37 0.00 0.12 0.41 4.02 -1.26 -4.29 117.16 112.78 3fwp n TYR 4163Ca -0.08 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.84 3fwp n TYR 4163Cb 1.00 0.00 0.41 0.00 -0.02 0.00 0.00 39.34 40.73 3fwp n TYR 4163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3fwp h PRO 4164N 0.00 0.24 0.00 -0.72 0.13 -1.88 0.02 132.00 129.80 3fwp h PRO 4164Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3fwp h PRO 4164Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 3fwp h PRO 4164CO 0.00 0.34 0.00 0.78 -0.23 0.00 0.00 178.00 178.89 3fwp h GLY 4165N 0.66 0.00 -2.45 1.56 0.00 -1.86 -1.41 103.07 99.57 3fwp h GLY 4165Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3fwp h GLY 4165CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 3fwp n GLN 4166N -2.72 3.75 -3.93 4.80 6.02 -0.87 -4.91 117.38 119.51 3fwp n GLN 4166Ca 0.02 -2.93 -0.35 0.00 -0.01 0.00 0.00 57.00 53.73 3fwp n GLN 4166Cb 0.34 -1.98 0.01 0.00 1.02 0.00 0.00 30.24 29.63 3fwp n GLN 4166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3fwp n GLU 4167N 0.12 -1.30 -3.70 -1.09 2.13 -0.53 -4.92 120.64 111.35 3fwp n GLU 4167Ca 0.24 0.28 -0.36 0.00 0.66 0.00 0.00 57.16 57.98 3fwp n GLU 4167Cb 0.98 -3.63 -0.07 0.00 0.27 0.00 0.00 31.44 28.99 3fwp n GLU 4167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3fwp s ARG 4168N -6.71 3.93 -0.01 5.31 0.52 -0.06 -5.00 118.95 116.92 3fwp s ARG 4168Ca 0.34 -0.03 0.11 0.00 -0.52 0.00 0.00 55.73 55.62 3fwp s ARG 4168Cb -0.15 -3.32 -0.16 0.00 0.52 0.00 0.00 34.95 31.84 3fwp s ARG 4168CO 0.92 0.49 0.27 0.66 0.02 0.00 0.00 175.30 177.66 3fwp n TYR 4169N 2.82 0.00 -1.50 -0.53 4.02 -1.26 -4.39 117.16 116.32 3fwp n TYR 4169Ca -0.16 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.33 3fwp n TYR 4169Cb 0.53 -0.21 -0.01 0.00 -0.02 0.00 0.00 39.34 39.62 3fwp n TYR 4169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3fwp n ASP 4170N -1.78 5.06 -4.22 7.72 5.75 -1.26 -4.13 116.55 123.68 3fwp n ASP 4170Ca -0.01 -2.72 -0.24 0.00 -0.01 0.00 0.00 54.79 51.80 3fwp n ASP 4170Cb 0.27 -1.54 -0.09 0.00 -1.03 0.00 0.00 41.12 38.72 3fwp n ASP 4170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3fwp s THR 4171N 3.14 0.75 0.18 2.12 -4.23 -1.26 -5.03 115.64 111.30 3fwp s THR 4171Ca 0.54 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.91 3fwp s THR 4171Cb 0.15 -2.49 0.07 0.00 1.34 0.00 0.00 72.50 71.58 3fwp s THR 4171CO -0.06 0.00 1.75 0.22 -0.54 0.00 0.00 174.62 175.99 3fwp h TYR 4172N 1.92 0.28 0.00 3.99 5.03 -1.99 -3.10 116.97 123.09 3fwp h TYR 4172Ca -0.37 0.02 -0.16 0.00 2.58 0.00 0.00 58.73 60.81 3fwp h TYR 4172Cb 1.26 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.46 3fwp h TYR 4172CO 1.18 0.09 -1.35 0.66 -1.32 0.00 0.00 178.16 177.42 3fwp h SER 4173N 0.33 0.00 0.00 -2.11 4.64 -1.97 -3.47 113.55 110.96 3fwp h SER 4173Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3fwp h SER 4173Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3fwp h SER 4173CO -0.23 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 3fwp n GLY 4174N 1.38 0.13 3.78 -0.77 0.00 -1.18 -4.98 105.19 103.55 3fwp n GLY 4174Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 3fwp n GLY 4174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fwp s ARG 4175N -1.42 3.99 -0.14 1.61 3.52 -1.26 -4.92 118.95 120.33 3fwp s ARG 4175Ca 0.00 0.06 0.01 0.00 -0.13 0.00 0.00 55.73 55.67 3fwp s ARG 4175Cb 0.00 -3.33 -0.00 0.00 -1.56 0.00 0.00 34.95 30.06 3fwp s ARG 4175CO 0.00 0.46 -0.16 0.08 -0.81 0.00 0.00 175.30 174.86 3fwp s VAL 4176N -0.18 2.60 0.69 7.11 1.01 -1.26 -4.92 120.40 125.45 3fwp s VAL 4176Ca 0.16 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 3fwp s VAL 4176Cb -0.13 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.18 3fwp s VAL 4176CO 0.05 0.52 1.25 0.55 0.00 0.00 0.00 175.10 177.47 3fwp n VAL 4177N 3.93 4.15 -0.32 2.92 3.14 -1.26 -4.50 118.33 126.38 3fwp n VAL 4177Ca -0.19 -0.42 0.08 0.00 -2.96 0.00 0.00 64.34 60.85 3fwp n VAL 4177Cb 0.52 -1.39 0.19 0.00 -1.06 0.00 0.00 33.84 32.09 3fwp n VAL 4177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3fwp h ARG 4178N 0.15 0.02 -0.91 1.45 2.43 -2.00 0.68 114.38 116.20 3fwp h ARG 4178Ca -0.50 -0.00 0.20 0.00 -0.81 0.00 0.00 59.98 58.87 3fwp h ARG 4178Cb 1.33 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.81 3fwp h ARG 4178CO 0.51 0.01 0.60 -0.09 -1.51 0.00 0.00 179.97 179.49 3fwp h ARG 4179N 0.02 0.45 -0.01 0.20 2.43 -2.01 -2.65 114.38 112.81 3fwp h ARG 4179Ca 0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 3fwp h ARG 4179Cb 0.87 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3fwp h ARG 4179CO -0.89 0.30 -0.46 1.19 -1.51 0.00 0.00 179.97 178.60 3fwp n PHE 4180N -4.54 0.00 -1.76 2.20 3.01 0.16 -4.75 117.46 111.78 3fwp n PHE 4180Ca 0.19 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.23 3fwp n PHE 4180Cb 0.67 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.11 3fwp n PHE 4180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3fwp s LYS 4181N -2.03 4.15 0.00 -1.08 1.02 -0.77 -1.85 119.74 119.18 3fwp s LYS 4181Ca 0.10 2.51 0.00 0.00 0.02 0.00 0.00 55.97 58.60 3fwp s LYS 4181Cb 0.12 -3.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 3fwp s LYS 4181CO 0.46 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 3fwp n GLY 4182N 4.35 0.46 0.25 -3.33 0.00 -1.26 -4.93 105.19 100.74 3fwp n GLY 4182Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 3fwp n GLY 4182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fwp h SER 4183N 0.00 0.91 -0.42 1.61 4.64 -1.66 -2.97 113.55 115.67 3fwp h SER 4183Ca 0.00 -0.44 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3fwp h SER 4183Cb 0.16 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3fwp h SER 4183CO 0.00 1.22 0.26 -0.03 -0.87 0.00 0.00 176.83 177.41 3fwp h MET 4184N 0.68 0.51 -0.24 4.77 -1.53 -1.91 0.04 114.93 117.24 3fwp h MET 4184Ca 0.04 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 3fwp h MET 4184Cb 1.02 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.95 3fwp h MET 4184CO 0.10 0.34 0.07 0.93 0.14 0.00 0.00 176.91 178.49 3fwp h GLU 4185N 0.53 0.33 -0.07 0.39 5.08 -1.97 -0.04 114.58 118.83 3fwp h GLU 4185Ca 0.16 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3fwp h GLU 4185Cb -0.02 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3fwp h GLU 4185CO -0.06 0.31 -0.00 0.93 -1.00 0.00 0.00 179.01 179.19 3fwp h GLU 4186N 0.34 0.13 -0.74 2.33 5.08 -1.14 -1.60 114.58 118.99 3fwp h GLU 4186Ca 0.08 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3fwp h GLU 4186Cb 0.12 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3fwp h GLU 4186CO -0.01 0.41 0.32 -1.49 -1.00 0.00 0.00 179.01 177.24 3fwp h TRP 4187N -0.16 1.08 -0.23 4.33 -0.00 -0.68 -2.18 115.95 118.12 3fwp h TRP 4187Ca 0.02 -0.06 0.03 0.00 -0.00 0.00 0.00 58.89 58.88 3fwp h TRP 4187Cb 0.35 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.16 29.15 3fwp h TRP 4187CO 0.04 0.81 0.03 1.96 -0.00 0.00 0.00 178.44 181.28 3fwp h GLN 4188N 1.06 0.11 0.00 0.49 4.20 -0.95 -1.06 115.11 118.96 3fwp h GLN 4188Ca 0.25 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 3fwp h GLN 4188Cb 0.16 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3fwp h GLN 4188CO -0.03 0.07 -0.16 0.00 -0.67 0.00 0.00 178.83 178.05 3fwp h ALA 4189N 1.18 1.32 -0.07 3.87 0.00 -1.03 -1.97 119.26 122.57 3fwp h ALA 4189Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fwp h ALA 4189Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fwp h ALA 4189CO -0.15 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 177.96 3fwp n MET 4190N -3.74 1.47 -0.83 0.00 2.81 -0.84 -4.93 117.12 111.07 3fwp n MET 4190Ca -0.02 -0.70 0.00 0.00 -1.81 0.00 0.00 57.70 55.17 3fwp n MET 4190Cb 0.27 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3fwp n MET 4190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fwp n GLY 4191N 1.07 0.58 3.74 3.03 0.00 -0.74 -5.02 105.19 107.85 3fwp n GLY 4191Ca 0.18 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3fwp n GLY 4191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwp s VAL 4192N -2.00 2.49 0.05 1.61 1.01 -0.46 -4.64 120.40 118.47 3fwp s VAL 4192Ca 0.00 0.40 -0.14 0.00 0.00 0.00 0.00 61.98 62.24 3fwp s VAL 4192Cb 0.00 -3.25 -0.32 0.00 0.00 0.00 0.00 36.38 32.80 3fwp s VAL 4192CO 0.00 0.06 1.06 0.24 0.00 0.00 0.00 175.10 176.46 3fwp h MET 4193N 5.42 0.53 -2.50 2.72 0.00 -1.29 -3.41 114.93 116.39 3fwp h MET 4193Ca -0.45 -0.82 0.11 0.00 0.00 0.00 0.00 59.70 58.53 3fwp h MET 4193Cb 1.21 0.30 -0.11 0.00 0.00 0.00 0.00 31.60 33.00 3fwp h MET 4193CO 0.82 1.39 0.41 0.54 0.00 0.00 0.00 176.91 180.07 3fwp s ASN 4194N -7.47 -0.31 -0.09 1.22 4.22 -1.26 -0.58 114.94 110.66 3fwp s ASN 4194Ca -0.08 -0.23 -0.01 0.00 -2.14 0.00 0.00 52.86 50.40 3fwp s ASN 4194Cb 0.05 0.50 -0.03 0.00 1.28 0.00 0.00 41.25 43.05 3fwp s ASN 4194CO 0.93 -0.87 -0.04 -0.31 -2.04 0.00 0.00 177.10 174.77 3fwp s TYR 4195N -3.38 3.01 0.00 1.54 2.02 -0.37 -0.41 117.35 119.76 3fwp s TYR 4195Ca 0.08 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 3fwp s TYR 4195Cb -0.02 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 3fwp s TYR 4195CO -0.03 0.27 0.00 -0.85 -1.57 0.00 0.00 175.55 173.37 3fwp n GLU 4196N 2.53 0.00 0.00 -0.62 -0.00 -0.60 -3.04 120.64 118.92 3fwp n GLU 4196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 3fwp n GLU 4196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 3fwp n GLU 4196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3fwp n MET 4197N 0.00 0.76 0.00 3.44 2.81 -1.26 -0.73 117.12 122.14 3fwp n MET 4197Ca 0.00 -0.73 0.00 0.00 -1.81 0.00 0.00 57.70 55.16 3fwp n MET 4197Cb 0.00 -0.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 3fwp n MET 4197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3fwp n GLU 4198N -0.16 2.69 -0.14 0.03 4.71 -1.26 -3.26 120.64 123.25 3fwp n GLU 4198Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 3fwp n GLU 4198Cb 0.28 -0.76 0.08 0.00 -1.01 0.00 0.00 31.44 30.02 3fwp n GLU 4198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3fwp h SER 4199N 0.00 0.90 -0.46 1.62 4.64 -1.94 -1.27 113.55 117.04 3fwp h SER 4199Ca 0.00 -0.28 0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3fwp h SER 4199Cb 0.11 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 3fwp h SER 4199CO 0.00 1.01 0.28 0.00 -0.87 0.00 0.00 176.83 177.25 3fwp h ALA 4200N 1.07 0.58 0.31 5.18 0.00 -1.86 0.29 119.26 124.83 3fwp h ALA 4200Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fwp h ALA 4200Cb 0.62 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3fwp h ALA 4200CO 0.04 -0.03 -0.15 1.15 0.00 0.00 0.00 179.25 180.27 3fwp h THR 4201N 0.56 0.72 0.06 0.00 2.02 -1.88 -2.10 112.91 112.29 3fwp h THR 4201Ca 0.18 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.05 3fwp h THR 4201Cb -0.01 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3fwp h THR 4201CO -0.07 0.07 -0.23 0.25 0.37 0.00 0.00 175.52 175.90 3fwp h LEU 4202N -0.60 -0.67 -0.40 2.58 5.85 -0.97 -0.91 115.31 120.19 3fwp h LEU 4202Ca -0.04 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3fwp h LEU 4202Cb 0.43 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3fwp h LEU 4202CO 0.07 -0.31 0.01 -0.07 -0.34 0.00 0.00 178.44 177.80 3fwp h LEU 4203N -0.40 0.68 -0.12 2.25 3.38 -0.49 -2.00 115.31 118.60 3fwp h LEU 4203Ca 0.04 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3fwp h LEU 4203Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3fwp h LEU 4203CO -0.17 0.81 0.05 0.74 0.09 0.00 0.00 178.44 179.96 3fwp h THR 4204N 0.52 1.16 -0.05 0.22 2.02 -1.32 -0.11 112.91 115.36 3fwp h THR 4204Ca 0.11 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 3fwp h THR 4204Cb 0.46 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3fwp h THR 4204CO 0.02 0.15 -0.26 0.00 0.37 0.00 0.00 175.52 175.80 3fwp h MET 4205N 0.03 0.08 0.04 6.66 -0.00 -1.08 -1.86 114.93 118.80 3fwp h MET 4205Ca 0.04 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.70 59.66 3fwp h MET 4205Cb 0.19 -0.01 0.01 0.00 -0.00 0.00 0.00 31.60 31.79 3fwp h MET 4205CO -0.00 0.34 -0.26 0.00 -0.00 0.00 0.00 176.91 176.98 3fwp h ALA 4207N 0.05 1.53 -0.37 0.00 0.00 -0.94 -1.25 119.26 118.28 3fwp h ALA 4207Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fwp h ALA 4207Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fwp h ALA 4207CO 0.05 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.27 3fwp n SER 4208N -3.95 3.13 -0.09 0.00 3.41 -0.71 -4.33 113.62 111.07 3fwp n SER 4208Ca -0.02 -1.95 0.01 0.00 -0.26 0.00 0.00 58.87 56.65 3fwp n SER 4208Cb 0.17 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 3fwp n SER 4208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fwp n GLN 4209N 1.27 0.74 -2.17 4.33 6.02 -0.70 -5.01 117.38 121.86 3fwp n GLN 4209Ca 0.19 -0.96 -0.12 0.00 -0.01 0.00 0.00 57.00 56.10 3fwp n GLN 4209Cb 0.55 -0.68 -0.01 0.00 1.02 0.00 0.00 30.24 31.12 3fwp n GLN 4209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fwp n GLY 4210N -0.21 -0.04 3.63 1.08 0.00 -0.99 -5.03 105.19 103.63 3fwp n GLY 4210Ca 0.01 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 3fwp n GLY 4210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwp s LEU 4211N -3.33 3.29 -0.12 0.99 1.43 -0.56 -5.06 118.68 115.32 3fwp s LEU 4211Ca 0.00 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 3fwp s LEU 4211Cb 0.00 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 3fwp s LEU 4211CO 0.00 0.24 0.42 -0.13 0.23 0.00 0.00 176.35 177.11 3fwp s ARG 4212N -1.75 4.27 0.01 1.70 0.52 0.14 -3.93 118.95 119.91 3fwp s ARG 4212Ca 0.20 0.34 0.02 0.00 -0.52 0.00 0.00 55.73 55.77 3fwp s ARG 4212Cb -0.11 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 3fwp s ARG 4212CO 0.11 0.24 -0.06 0.00 0.02 0.00 0.00 175.30 175.61 3fwp s ALA 4213N 0.39 0.51 0.12 2.13 0.00 -1.26 -0.14 121.76 123.51 3fwp s ALA 4213Ca 0.23 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3fwp s ALA 4213Cb -0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3fwp s ALA 4213CO 0.09 0.09 -0.09 0.20 0.00 0.00 0.00 175.76 176.05 3fwp s GLY 4214N -0.44 0.93 -0.05 0.00 0.00 -0.27 -0.32 107.32 107.18 3fwp s GLY 4214Ca -0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 44.72 43.32 3fwp s GLY 4214CO -0.00 -1.47 0.08 -0.29 0.00 0.00 0.00 173.10 171.41 3fwp s MET 4215N -3.52 -0.06 0.04 2.90 1.75 -1.26 -0.81 119.30 118.34 3fwp s MET 4215Ca 0.13 0.40 0.03 0.00 -1.25 0.00 0.00 55.69 54.99 3fwp s MET 4215Cb 0.02 -0.44 -0.02 0.00 2.84 0.00 0.00 34.83 37.22 3fwp s MET 4215CO -0.01 -0.31 -0.09 0.54 -0.65 0.00 0.00 175.02 174.50 3fwp s VAL 4216N 2.09 0.69 0.02 10.11 0.11 -0.58 -1.38 120.40 131.46 3fwp s VAL 4216Ca 0.03 -1.00 -0.17 0.00 -2.93 0.00 0.00 61.98 57.92 3fwp s VAL 4216Cb -0.12 -0.70 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3fwp s VAL 4216CO -0.04 -0.24 0.37 0.00 -3.33 0.00 0.00 175.10 171.86 3fwp s ALA 4217N -1.13 -0.89 -0.15 1.54 0.00 -0.37 -1.56 121.76 119.20 3fwp s ALA 4217Ca -0.06 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 3fwp s ALA 4217Cb -0.09 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3fwp s ALA 4217CO 0.01 -0.39 0.12 0.20 0.00 0.00 0.00 175.76 175.69 3fwp s GLY 4218N -1.81 2.06 -0.36 0.00 0.00 -0.86 -0.55 107.32 105.80 3fwp s GLY 4218Ca -0.08 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 43.67 3fwp s GLY 4218CO -0.00 -0.15 1.33 0.14 0.00 0.00 0.00 173.10 174.41 3fwp s VAL 4219N -0.35 4.06 -1.10 1.40 1.01 -0.45 -1.70 120.40 123.28 3fwp s VAL 4219Ca 0.11 1.14 0.21 0.00 0.00 0.00 0.00 61.98 63.44 3fwp s VAL 4219Cb -0.12 -4.22 -0.20 0.00 0.00 0.00 0.00 36.38 31.84 3fwp s VAL 4219CO 0.01 -0.64 0.93 2.30 0.00 0.00 0.00 175.10 177.71 3fwp n ILE 4220N 6.60 0.00 -3.57 2.22 -5.35 0.03 -0.44 119.36 118.85 3fwp n ILE 4220Ca 0.15 -0.02 -0.14 0.00 -0.27 0.00 0.00 62.75 62.47 3fwp n ILE 4220Cb 0.47 1.00 -0.06 0.00 -1.74 0.00 0.00 39.64 39.31 3fwp n ILE 4220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3fwp s VAL 4221N -2.95 0.00 -0.24 7.28 0.11 -1.22 -4.98 120.40 118.40 3fwp s VAL 4221Ca 0.09 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.11 3fwp s VAL 4221Cb 0.16 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 3fwp s VAL 4221CO 0.84 0.00 -0.04 0.21 -3.33 0.00 0.00 175.10 172.77 3fwp s ASN 4222N -0.78 4.32 0.46 3.54 3.84 -1.26 -0.78 114.94 124.28 3fwp s ASN 4222Ca -0.04 -0.60 0.22 0.00 0.21 0.00 0.00 52.86 52.64 3fwp s ASN 4222Cb -0.01 -1.71 1.11 0.00 -0.55 0.00 0.00 41.25 40.08 3fwp s ASN 4222CO 0.04 -0.07 1.95 0.03 -2.79 0.00 0.00 177.10 176.25 3fwp h ARG 4223N 8.08 0.00 0.00 0.43 2.47 -0.40 0.14 114.38 125.10 3fwp h ARG 4223Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 3fwp h ARG 4223Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 3fwp h ARG 4223CO 0.60 0.22 0.00 0.25 0.56 0.00 0.00 179.97 181.60 3fwp n THR 4224N -3.77 0.70 0.00 2.04 -2.24 -1.26 -3.37 114.28 106.38 3fwp n THR 4224Ca -0.02 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3fwp n THR 4224Cb 0.32 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 3fwp n THR 4224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fwp n GLN 4225N -1.25 0.00 -3.85 -0.78 6.02 -0.85 -5.07 117.38 111.60 3fwp n GLN 4225Ca 0.05 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.82 3fwp n GLN 4225Cb 0.07 -0.55 -0.17 0.00 1.02 0.00 0.00 30.24 30.60 3fwp n GLN 4225CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3fwp s GLN 4226N -1.73 0.52 0.00 -1.09 -0.21 0.44 -5.09 119.66 112.50 3fwp s GLN 4226Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.48 3fwp s GLN 4226Cb 0.00 -0.82 0.00 0.00 1.00 0.00 0.00 33.01 33.19 3fwp s GLN 4226CO 0.00 -0.24 0.00 -0.85 -2.12 0.00 0.00 175.29 172.08 3fwp n GLU 4227N 4.83 0.00 -0.01 2.91 0.28 -1.26 -3.07 120.64 124.32 3fwp n GLU 4227Ca -0.13 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 56.87 3fwp n GLU 4227Cb 0.50 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.35 3fwp n GLU 4227CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3fwp n SER 4239N 0.00 4.42 -0.03 -1.84 2.88 -1.26 -5.70 113.62 112.09 3fwp n SER 4239Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3fwp n SER 4239Cb 0.00 0.82 -0.02 0.00 -0.75 0.00 0.00 64.21 64.26 3fwp n SER 4239CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 3fwp h HIS 4240N 0.00 -0.30 -0.89 0.66 -0.00 -1.97 -1.81 115.15 110.83 3fwp h HIS 4240Ca -0.03 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.39 3fwp h HIS 4240Cb 0.66 0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 28.19 3fwp h HIS 4240CO 0.00 -0.19 0.58 0.00 -0.00 0.00 0.00 177.93 178.32 3fwp h ALA 4241N 1.02 1.16 -0.58 2.45 0.00 -1.93 -0.88 119.26 120.50 3fwp h ALA 4241Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3fwp h ALA 4241Cb 0.28 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3fwp h ALA 4241CO -0.27 0.46 0.18 0.28 0.00 0.00 0.00 179.25 179.91 3fwp h VAL 4242N 1.15 1.24 -0.53 0.00 2.07 -1.91 -1.12 116.25 117.16 3fwp h VAL 4242Ca 0.35 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 3fwp h VAL 4242Cb -0.04 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3fwp h VAL 4242CO -0.10 0.31 0.05 0.11 0.02 0.00 0.00 177.57 177.95 3fwp h LYS 4243N 0.82 0.85 -0.49 1.57 1.57 -0.91 -2.76 116.57 117.23 3fwp h LYS 4243Ca 0.19 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3fwp h LYS 4243Cb 0.29 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3fwp h LYS 4243CO -0.01 0.83 -0.02 0.82 -0.57 0.00 0.00 179.45 180.50 3fwp h ILE 4244N 0.80 1.26 -0.29 1.86 2.04 -0.85 -1.90 117.51 120.43 3fwp h ILE 4244Ca 0.16 -1.11 -0.10 0.00 1.00 0.00 0.00 64.86 64.81 3fwp h ILE 4244Cb 0.42 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3fwp h ILE 4244CO 0.01 0.39 -0.25 1.62 0.00 0.00 0.00 178.15 179.93 3fwp h VAL 4245N 0.74 1.27 -0.22 1.67 3.04 -1.11 0.60 116.25 122.25 3fwp h VAL 4245Ca 0.14 -1.30 -0.08 0.00 -1.01 0.00 0.00 66.70 64.45 3fwp h VAL 4245Cb 0.55 1.31 -0.00 0.00 -2.01 0.00 0.00 31.29 31.14 3fwp h VAL 4245CO 0.03 0.42 -0.17 0.58 -1.01 0.00 0.00 177.57 177.42 3fwp h VAL 4246N 0.50 1.32 -0.73 1.51 2.07 -1.43 -1.18 116.25 118.31 3fwp h VAL 4246Ca 0.07 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 3fwp h VAL 4246Cb 0.70 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 3fwp h VAL 4246CO 0.05 0.40 0.22 -0.08 0.02 0.00 0.00 177.57 178.18 3fwp h GLU 4247N 0.18 1.14 -0.69 1.57 4.57 -1.23 -2.22 114.58 117.90 3fwp h GLU 4247Ca 0.04 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3fwp h GLU 4247Cb 0.70 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3fwp h GLU 4247CO 0.04 0.97 0.39 0.00 -1.18 0.00 0.00 179.01 179.23 3fwp h ALA 4248N 1.14 0.88 -0.97 2.92 0.00 -0.83 -2.65 119.26 119.76 3fwp h ALA 4248Ca 0.24 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3fwp h ALA 4248Cb 0.32 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3fwp h ALA 4248CO -0.01 0.38 0.63 0.00 0.00 0.00 0.00 179.25 180.26 3fwp h ALA 4249N 1.20 1.42 -0.63 0.00 0.00 -0.85 -1.83 119.26 118.56 3fwp h ALA 4249Ca 0.24 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.19 3fwp h ALA 4249Cb 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 3fwp h ALA 4249CO -0.04 0.46 0.32 0.00 0.00 0.00 0.00 179.25 179.99 3fwp h ARG 4250N 1.16 0.57 0.00 0.00 3.08 -1.05 -1.76 114.38 116.38 3fwp h ARG 4250Ca 0.41 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3fwp h ARG 4250Cb 0.11 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3fwp h ARG 4250CO -0.15 0.38 0.00 0.54 -1.07 0.00 0.00 179.97 179.67 3fwp n ARG 4251N -4.85 0.08 -0.02 0.04 1.74 -0.71 -3.38 116.66 109.55 3fwp n ARG 4251Ca 0.08 0.31 0.05 0.00 -0.77 0.00 0.00 57.85 57.52 3fwp n ARG 4251Cb 0.20 -1.65 0.05 0.00 -1.02 0.00 0.00 32.46 30.04 3fwp n ARG 4251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fwp n LEU 4252N -1.80 1.92 0.00 0.55 4.77 -0.68 -5.05 117.00 116.72 3fwp n LEU 4252Ca 0.03 -1.15 0.16 0.00 -0.03 0.00 0.00 56.01 55.02 3fwp n LEU 4252Cb 0.20 -0.03 0.93 0.00 -2.33 0.00 0.00 43.42 42.19 3fwp n LEU 4252CO 0.17 0.40 1.09 0.18 -1.33 0.00 0.00 177.39 177.89