#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1s n ASP 4005N 0.00 4.80 -4.92 -3.46 8.00 0.24 -4.88 116.55 116.32 1y1s n ASP 4005Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 1y1s n ASP 4005Cb 0.00 0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 41.80 1y1s n ASP 4005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1y1s s VAL 4006N -2.04 2.86 0.06 2.53 -7.23 -1.21 -5.06 120.40 110.31 1y1s s VAL 4006Ca -0.00 -1.22 -0.05 0.00 -1.81 0.00 0.00 61.98 58.90 1y1s s VAL 4006Cb 0.00 -3.02 -0.29 0.00 0.56 0.00 0.00 36.38 33.64 1y1s s VAL 4006CO 0.03 -0.01 1.09 0.15 -0.31 0.00 0.00 175.10 176.05 1y1s h PHE 4007N 0.90 0.51 0.00 2.82 3.57 -1.95 -3.41 116.94 119.37 1y1s h PHE 4007Ca -0.41 -0.37 -0.05 0.00 3.53 0.00 0.00 57.97 60.67 1y1s h PHE 4007Cb 1.27 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 1y1s h PHE 4007CO 0.47 1.31 -1.28 0.72 -2.23 0.00 0.00 178.31 177.30 1y1s n HIS 4008N -3.53 0.00 0.30 0.41 -0.00 -1.26 -4.72 115.22 106.43 1y1s n HIS 4008Ca -0.10 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.79 1y1s n HIS 4008Cb 1.03 -0.18 0.68 0.00 -0.00 0.00 0.00 29.99 31.52 1y1s n HIS 4008CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1y1s h LEU 4009N 0.00 0.00 -1.56 2.41 3.38 -1.91 -3.44 115.31 114.19 1y1s h LEU 4009Ca -0.08 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.59 1y1s h LEU 4009Cb 0.86 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.76 1y1s h LEU 4009CO 0.00 0.00 -0.67 0.61 0.09 0.00 0.00 178.44 178.47 1y1s n GLY 4010N -0.06 -0.29 3.05 0.83 0.00 -1.26 -4.71 105.19 102.75 1y1s n GLY 4010Ca 0.01 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1y1s n GLY 4010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1s s LEU 4011N -6.01 2.28 0.19 0.99 1.43 -1.26 -4.09 118.68 112.21 1y1s s LEU 4011Ca 0.08 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1y1s s LEU 4011Cb -0.04 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.06 1y1s s LEU 4011CO 0.65 -0.26 -0.02 0.42 0.23 0.00 0.00 176.35 177.37 1y1s s THR 4012N -1.66 3.55 0.37 5.49 -4.23 -1.26 -0.59 115.64 117.31 1y1s s THR 4012Ca -0.09 -1.56 0.08 0.00 -1.18 0.00 0.00 61.69 58.93 1y1s s THR 4012Cb -0.08 -2.80 0.30 0.00 1.34 0.00 0.00 72.50 71.26 1y1s s THR 4012CO -0.01 -0.16 1.95 0.50 -0.54 0.00 0.00 174.62 176.36 1y1s h LYS 4013N 2.60 0.66 0.00 3.99 3.64 -1.96 0.19 116.57 125.69 1y1s h LYS 4013Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1y1s h LYS 4013Cb 1.21 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1y1s h LYS 4013CO 0.57 0.44 0.00 -0.97 -2.27 0.00 0.00 179.45 177.22 1y1s h ASN 4014N 0.68 0.00 0.70 4.20 -1.24 -1.95 -2.58 115.58 115.40 1y1s h ASN 4014Ca 0.33 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.24 1y1s h ASN 4014Cb 0.39 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 1y1s h ASN 4014CO -0.11 0.00 -0.46 0.44 -1.29 0.00 0.00 177.43 176.01 1y1s h ASP 4015N 0.00 0.00 1.27 1.15 3.45 -1.01 -3.14 116.42 118.14 1y1s h ASP 4015Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1y1s h ASP 4015Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 1y1s h ASP 4015CO 0.00 0.46 0.00 0.18 -1.57 0.00 0.00 179.24 178.31 1y1s n LEU 4016N -3.69 0.67 -3.85 1.55 4.77 -0.97 -4.93 117.00 110.56 1y1s n LEU 4016Ca -0.01 0.58 -0.26 0.00 -0.03 0.00 0.00 56.01 56.29 1y1s n LEU 4016Cb 0.53 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1y1s n LEU 4016CO 0.39 -0.23 -0.01 0.00 -1.33 0.00 0.00 177.39 176.21 1y1s n GLN 4017N -2.15 -4.94 -1.09 3.23 1.13 -1.19 -1.32 117.38 111.05 1y1s n GLN 4017Ca 0.05 0.58 -0.03 0.00 -1.94 0.00 0.00 57.00 55.65 1y1s n GLN 4017Cb 0.38 -5.24 -0.01 0.00 0.11 0.00 0.00 30.24 25.47 1y1s n GLN 4017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y1s n GLY 4018N -1.67 0.63 3.77 1.08 0.00 -1.26 -4.62 105.19 103.12 1y1s n GLY 4018Ca -0.13 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1y1s n GLY 4018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1s s ALA 4019N -2.02 3.01 0.00 4.61 0.00 -0.44 -4.81 121.76 122.11 1y1s s ALA 4019Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1y1s s ALA 4019Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1y1s s ALA 4019CO 0.00 -0.68 0.06 1.04 0.00 0.00 0.00 175.76 176.18 1y1s n GLN 4020N -0.39 2.04 -5.17 0.00 6.02 -1.26 -4.34 117.38 114.29 1y1s n GLN 4020Ca 0.07 -0.06 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1y1s n GLN 4020Cb 0.47 -0.37 -0.16 0.00 1.02 0.00 0.00 30.24 31.21 1y1s n GLN 4020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1y1s s LEU 4021N -0.62 2.04 -0.00 1.08 0.20 -1.26 -0.16 118.68 119.96 1y1s s LEU 4021Ca 0.00 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 54.41 1y1s s LEU 4021Cb 0.00 -1.22 -0.01 0.00 -0.43 0.00 0.00 46.19 44.53 1y1s s LEU 4021CO 0.00 0.28 -0.06 0.00 -0.29 0.00 0.00 176.35 176.28 1y1s s ALA 4022N -0.48 0.49 -0.18 5.97 0.00 0.30 -2.26 121.76 125.60 1y1s s ALA 4022Ca 0.07 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 1y1s s ALA 4022Cb -0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1y1s s ALA 4022CO -0.00 0.12 0.11 0.42 0.00 0.00 0.00 175.76 176.40 1y1s s ILE 4023N -0.18 5.24 -0.47 0.00 1.01 0.87 -0.55 121.20 127.12 1y1s s ILE 4023Ca 0.02 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1y1s s ILE 4023Cb -0.03 -3.37 0.13 0.00 0.01 0.00 0.00 42.46 39.21 1y1s s ILE 4023CO -0.00 0.47 0.24 0.68 0.00 0.00 0.00 174.94 176.33 1y1s s VAL 4024N 0.15 2.00 0.66 2.92 -7.23 0.09 -1.55 120.40 117.43 1y1s s VAL 4024Ca 0.08 -2.90 -0.11 0.00 -1.81 0.00 0.00 61.98 57.24 1y1s s VAL 4024Cb -0.11 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1y1s s VAL 4024CO -0.01 -0.83 1.05 -2.16 -0.31 0.00 0.00 175.10 172.84 1y1s s PRO 4025N 0.09 3.29 0.31 4.82 0.04 -1.25 -3.58 135.00 138.71 1y1s s PRO 4025Ca 0.17 0.77 0.20 0.00 0.04 0.00 0.00 61.00 62.17 1y1s s PRO 4025Cb -0.25 -2.04 0.14 0.00 0.04 0.00 0.00 34.50 32.39 1y1s s PRO 4025CO -0.01 -0.80 1.37 0.78 0.04 0.00 0.00 177.00 178.39 1y1s h GLY 4026N -0.49 0.00 -7.64 0.56 0.00 -1.85 -1.44 103.07 92.21 1y1s h GLY 4026Ca -0.44 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.22 1y1s h GLY 4026CO 0.61 0.00 -0.53 -0.35 0.00 0.00 0.00 176.54 176.27 1y1s s ASP 4027N -6.07 5.76 0.60 0.19 2.15 -1.26 -1.95 116.67 116.08 1y1s s ASP 4027Ca 0.04 -0.36 0.31 0.00 0.43 0.00 0.00 52.55 52.96 1y1s s ASP 4027Cb 0.07 -2.06 1.75 0.00 -0.30 0.00 0.00 42.92 42.39 1y1s s ASP 4027CO 0.73 -0.16 2.13 1.55 -0.17 0.00 0.00 175.17 179.24 1y1s h PRO 4028N 8.39 0.00 0.00 4.34 0.13 -1.86 -1.73 132.00 141.27 1y1s h PRO 4028Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1y1s h PRO 4028Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1y1s h PRO 4028CO 0.60 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.76 1y1s n GLU 4029N -3.64 0.07 0.00 0.86 1.02 -1.26 -3.05 120.64 114.63 1y1s n GLU 4029Ca 0.00 0.19 0.11 0.00 -0.02 0.00 0.00 57.16 57.44 1y1s n GLU 4029Cb 0.28 -1.60 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 1y1s n GLU 4029CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y1s n ARG 4030N -1.73 0.25 -0.20 3.49 5.12 -0.65 -4.35 116.66 118.59 1y1s n ARG 4030Ca 0.05 -0.06 0.01 0.00 -1.93 0.00 0.00 57.85 55.92 1y1s n ARG 4030Cb 0.28 -1.52 0.11 0.00 -1.16 0.00 0.00 32.46 30.17 1y1s n ARG 4030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1y1s h VAL 4031N 0.00 0.56 0.84 1.55 2.07 -1.62 -1.03 116.25 118.63 1y1s h VAL 4031Ca 0.00 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1y1s h VAL 4031Cb 0.69 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1y1s h VAL 4031CO 0.00 0.04 -0.48 -0.08 0.02 0.00 0.00 177.57 177.06 1y1s h GLU 4032N 0.19 -1.19 -1.14 1.57 4.81 -1.78 -1.10 114.58 115.95 1y1s h GLU 4032Ca 0.33 0.08 0.32 0.00 -0.13 0.00 0.00 59.36 59.96 1y1s h GLU 4032Cb 0.52 0.27 -0.10 0.00 0.63 0.00 0.00 28.75 30.07 1y1s h GLU 4032CO -0.47 -0.79 0.75 0.87 -0.73 0.00 0.00 179.01 178.64 1y1s h LYS 4033N -1.23 0.25 -0.01 1.92 6.56 -1.64 0.30 116.57 122.72 1y1s h LYS 4033Ca -0.11 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.46 1y1s h LYS 4033Cb 0.97 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.58 1y1s h LYS 4033CO 0.14 0.17 -0.01 0.82 -2.06 0.00 0.00 179.45 178.50 1y1s h ILE 4034N 0.26 1.46 -0.52 1.86 2.04 -0.84 -3.15 117.51 118.62 1y1s h ILE 4034Ca 0.65 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1y1s h ILE 4034Cb 1.90 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 40.33 1y1s h ILE 4034CO -0.29 0.36 0.34 0.00 0.00 0.00 0.00 178.15 178.57 1y1s h ALA 4035N 0.42 1.68 0.00 1.87 0.00 0.48 -1.38 119.26 122.34 1y1s h ALA 4035Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y1s h ALA 4035Cb 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1y1s h ALA 4035CO 0.00 0.28 0.07 0.00 0.00 0.00 0.00 179.25 179.60 1y1s n ALA 4036N -2.47 0.92 0.98 0.00 0.00 0.79 -0.72 120.51 120.02 1y1s n ALA 4036Ca 0.05 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1y1s n ALA 4036Cb 0.09 -1.08 0.20 0.00 0.00 0.00 0.00 19.45 18.66 1y1s n ALA 4036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y1s n LEU 4037N -1.92 0.57 0.00 0.00 4.77 -0.52 -4.95 117.00 114.95 1y1s n LEU 4037Ca -0.01 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 1y1s n LEU 4037Cb 0.09 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1y1s n LEU 4037CO 0.05 0.14 0.03 0.23 -1.33 0.00 0.00 177.39 176.51 1y1s n MET 4038N -1.52 1.12 -3.68 3.23 2.81 0.10 -5.12 117.12 114.07 1y1s n MET 4038Ca 0.05 -1.61 -0.36 0.00 -1.81 0.00 0.00 57.70 53.97 1y1s n MET 4038Cb 0.34 0.18 -0.06 0.00 -0.71 0.00 0.00 33.22 32.97 1y1s n MET 4038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1y1s s ASP 4039N -2.50 6.59 -1.30 7.83 1.01 0.26 -4.48 116.67 124.09 1y1s s ASP 4039Ca 0.14 0.70 -0.05 0.00 0.71 0.00 0.00 52.55 54.06 1y1s s ASP 4039Cb -0.01 -2.15 0.01 0.00 1.01 0.00 0.00 42.92 41.78 1y1s s ASP 4039CO 0.09 0.30 1.05 0.29 0.21 0.00 0.00 175.17 177.11 1y1s n LYS 4040N 1.52 -6.98 -1.97 8.23 5.02 -1.26 0.10 118.16 122.83 1y1s n LYS 4040Ca -0.14 0.80 -0.42 0.00 -2.02 0.00 0.00 58.31 56.54 1y1s n LYS 4040Cb 0.53 -5.79 -0.03 0.00 -0.02 0.00 0.00 35.03 29.72 1y1s n LYS 4040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1y1s s PRO 4041N -5.90 4.20 -0.07 1.97 0.04 -1.26 -4.43 135.00 129.55 1y1s s PRO 4041Ca 0.29 2.27 0.03 0.00 0.04 0.00 0.00 61.00 63.62 1y1s s PRO 4041Cb -0.13 -3.76 0.01 0.00 0.04 0.00 0.00 34.50 30.66 1y1s s PRO 4041CO 0.74 -0.77 -0.15 0.08 0.04 0.00 0.00 177.00 176.95 1y1s s VAL 4042N 3.18 1.33 -0.01 -0.36 1.01 0.64 -4.98 120.40 121.22 1y1s s VAL 4042Ca 0.74 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1y1s s VAL 4042Cb -0.37 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1y1s s VAL 4042CO 0.31 0.40 1.16 -0.75 0.00 0.00 0.00 175.10 176.23 1y1s s LYS 4043N 0.58 4.41 -0.17 2.72 2.20 -1.26 -0.89 119.74 127.32 1y1s s LYS 4043Ca -0.15 1.66 -0.16 0.00 -0.36 0.00 0.00 55.97 56.95 1y1s s LYS 4043Cb -0.16 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1y1s s LYS 4043CO 0.05 -0.33 -0.32 1.28 -0.36 0.00 0.00 175.35 175.67 1y1s n LEU 4044N 4.61 1.84 -3.91 5.43 4.77 -0.95 -4.94 117.00 123.84 1y1s n LEU 4044Ca 0.10 0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 56.34 1y1s n LEU 4044Cb 0.47 -0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1y1s n LEU 4044CO 0.55 -0.30 0.36 0.00 -1.33 0.00 0.00 177.39 176.67 1y1s s ALA 4045N -2.90 -0.81 -0.27 -1.18 0.00 -1.10 -5.02 121.76 110.47 1y1s s ALA 4045Ca -0.26 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1y1s s ALA 4045Cb 0.04 0.93 0.15 0.00 0.00 0.00 0.00 23.12 24.24 1y1s s ALA 4045CO 0.39 -0.97 0.39 0.45 0.00 0.00 0.00 175.76 176.02 1y1s s SER 4046N -2.96 0.49 -0.07 0.00 0.15 -1.26 -0.91 113.70 109.12 1y1s s SER 4046Ca 0.16 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 1y1s s SER 4046Cb -0.04 1.04 0.03 0.00 -1.71 0.00 0.00 66.02 65.34 1y1s s SER 4046CO 0.08 -0.34 -0.01 -1.00 1.20 0.00 0.00 173.24 173.17 1y1s s HIS 4047N 2.52 0.76 0.00 3.44 3.76 -0.80 -5.00 115.29 119.97 1y1s s HIS 4047Ca 0.11 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 1y1s s HIS 4047Cb -0.14 -0.83 0.00 0.00 1.11 0.00 0.00 32.58 32.72 1y1s s HIS 4047CO -0.26 -0.33 0.00 0.54 -0.85 0.00 0.00 174.74 173.84 1y1s n ARG 4048N 5.02 0.00 -0.08 1.40 1.74 -1.26 -0.96 116.66 122.53 1y1s n ARG 4048Ca -0.09 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.01 1y1s n ARG 4048Cb 0.50 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.01 1y1s n ARG 4048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1y1s n GLU 4049N 12.07 1.35 -3.35 5.56 0.00 -1.26 -4.65 120.64 130.36 1y1s n GLU 4049Ca 0.00 -0.54 -0.46 0.00 0.00 0.00 0.00 57.16 56.16 1y1s n GLU 4049Cb 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 31.44 30.29 1y1s n GLU 4049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1y1s s PHE 4050N -1.80 3.67 -0.21 -1.84 0.40 -0.14 -3.98 117.98 114.08 1y1s s PHE 4050Ca 0.10 -1.94 -0.09 0.00 -0.60 0.00 0.00 56.93 54.41 1y1s s PHE 4050Cb 0.05 -3.78 -0.04 0.00 0.51 0.00 0.00 43.02 39.76 1y1s s PHE 4050CO 0.07 -0.99 0.10 0.99 0.70 0.00 0.00 175.22 176.09 1y1s s THR 4051N 0.36 4.95 0.09 0.64 2.01 -1.26 -1.91 115.64 120.53 1y1s s THR 4051Ca 0.16 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.27 1y1s s THR 4051Cb -0.14 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1y1s s THR 4051CO -0.07 0.41 -0.22 -0.94 -0.69 0.00 0.00 174.62 173.11 1y1s s SER 4052N 0.74 2.63 0.19 3.53 1.04 -0.09 -1.06 113.70 120.67 1y1s s SER 4052Ca 0.05 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1y1s s SER 4052Cb -0.13 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 1y1s s SER 4052CO 0.02 0.10 0.07 0.26 0.98 0.00 0.00 173.24 174.66 1y1s s TRP 4053N -1.08 1.17 0.06 5.02 0.52 0.66 -2.24 118.94 123.06 1y1s s TRP 4053Ca 0.08 -1.19 0.05 0.00 0.02 0.00 0.00 56.10 55.06 1y1s s TRP 4053Cb -0.10 -0.65 -0.03 0.00 -1.15 0.00 0.00 33.47 31.54 1y1s s TRP 4053CO 0.04 -0.42 -0.15 0.50 0.02 0.00 0.00 176.95 176.94 1y1s s ARG 4054N -4.03 0.91 0.00 4.98 3.52 -0.07 -1.97 118.95 122.29 1y1s s ARG 4054Ca 0.30 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1y1s s ARG 4054Cb 0.07 -0.96 0.00 0.00 -1.56 0.00 0.00 34.95 32.51 1y1s s ARG 4054CO 0.07 0.22 0.00 0.00 -0.81 0.00 0.00 175.30 174.78 1y1s n ALA 4055N 1.49 0.00 -3.44 6.12 0.00 -0.32 -0.26 120.51 124.09 1y1s n ALA 4055Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 1y1s n ALA 4055Cb 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.86 1y1s n ALA 4055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y1s s GLU 4056N -1.54 0.16 -0.13 0.00 2.12 0.28 -2.54 118.70 117.05 1y1s s GLU 4056Ca 0.00 0.35 -0.00 0.00 0.36 0.00 0.00 54.97 55.67 1y1s s GLU 4056Cb 0.00 -0.05 0.03 0.00 0.26 0.00 0.00 34.13 34.37 1y1s s GLU 4056CO 0.00 -0.10 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.03 1y1s s LEU 4057N 0.73 1.31 -1.50 2.70 1.43 0.15 -0.57 118.68 122.93 1y1s s LEU 4057Ca -0.05 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1y1s s LEU 4057Cb -0.07 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.30 1y1s s LEU 4057CO -0.04 -0.13 0.39 0.47 0.23 0.00 0.00 176.35 177.27 1y1s n ASP 4058N 4.92 -0.53 -1.21 2.29 8.00 -1.26 -0.36 116.55 128.40 1y1s n ASP 4058Ca -0.13 -1.08 -0.11 0.00 0.71 0.00 0.00 54.79 54.19 1y1s n ASP 4058Cb 0.49 -2.64 -0.01 0.00 -0.02 0.00 0.00 41.12 38.95 1y1s n ASP 4058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y1s n GLY 4059N -2.01 -0.04 3.00 0.44 0.00 -1.26 -5.02 105.19 100.30 1y1s n GLY 4059Ca -0.24 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 1y1s n GLY 4059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1s s LYS 4060N -4.50 0.68 0.17 1.61 -0.14 0.51 -5.13 119.74 112.93 1y1s s LYS 4060Ca 0.00 -0.28 -0.30 0.00 -1.36 0.00 0.00 55.97 54.03 1y1s s LYS 4060Cb 0.00 -0.65 -0.07 0.00 -1.68 0.00 0.00 37.83 35.43 1y1s s LYS 4060CO 0.00 0.16 1.02 0.00 -0.76 0.00 0.00 175.35 175.77 1y1s s ALA 4061N -0.14 3.32 0.01 5.17 0.00 -1.26 0.30 121.76 129.15 1y1s s ALA 4061Ca 0.02 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1y1s s ALA 4061Cb -0.04 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1y1s s ALA 4061CO -0.00 -0.06 -0.02 0.14 0.00 0.00 0.00 175.76 175.82 1y1s s VAL 4062N -0.34 0.07 0.01 0.00 -7.23 -1.05 -4.15 120.40 107.71 1y1s s VAL 4062Ca 0.47 -0.42 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 1y1s s VAL 4062Cb -0.27 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 1y1s s VAL 4062CO 0.33 -0.22 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.25 1y1s s ILE 4063N -0.67 4.05 -0.18 -0.62 -1.09 -0.96 -1.17 121.20 120.56 1y1s s ILE 4063Ca -0.07 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 1y1s s ILE 4063Cb -0.05 -2.81 0.04 0.00 -1.58 0.00 0.00 42.46 38.06 1y1s s ILE 4063CO -0.00 0.35 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.28 1y1s s VAL 4064N -1.10 1.44 -0.05 2.92 1.01 -0.83 -0.09 120.40 123.69 1y1s s VAL 4064Ca 0.20 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1y1s s VAL 4064Cb -0.11 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1y1s s VAL 4064CO 0.11 0.17 0.02 0.00 0.00 0.00 0.00 175.10 175.40 1y1s s SER 4066N 1.82 5.84 -0.01 0.00 1.04 -0.23 -3.80 113.70 118.36 1y1s s SER 4066Ca 0.02 2.19 0.11 0.00 0.48 0.00 0.00 55.95 58.74 1y1s s SER 4066Cb -0.12 -2.58 -0.14 0.00 0.10 0.00 0.00 66.02 63.27 1y1s s SER 4066CO -0.04 -1.14 0.33 0.35 0.98 0.00 0.00 173.24 173.72 1y1s n THR 4067N -1.13 0.00 0.00 2.02 -2.24 -0.54 -4.20 114.28 108.19 1y1s n THR 4067Ca 0.11 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1y1s n THR 4067Cb 0.50 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1y1s n THR 4067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y1s n GLY 4068N 1.61 -1.24 3.71 3.38 0.00 -0.82 -3.43 105.19 108.39 1y1s n GLY 4068Ca -0.00 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1y1s n GLY 4068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1s s ILE 4069N -1.86 4.38 0.00 -0.61 1.01 -1.25 -4.66 121.20 118.21 1y1s s ILE 4069Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.36 1y1s s ILE 4069Cb 0.00 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1y1s s ILE 4069CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1y1s n GLY 4070N 3.12 1.48 0.36 6.18 0.00 -1.25 -4.65 105.19 110.43 1y1s n GLY 4070Ca 0.08 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.45 1y1s n GLY 4070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1y1s h GLY 4071N 0.00 1.08 0.56 -0.02 0.00 -1.87 -1.83 103.07 101.00 1y1s h GLY 4071Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1y1s h GLY 4071CO 0.00 0.27 -0.50 -2.55 0.00 0.00 0.00 176.54 173.76 1y1s h PRO 4072N 0.87 -1.01 0.00 4.80 0.11 -1.94 0.66 132.00 135.49 1y1s h PRO 4072Ca 0.33 0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.45 1y1s h PRO 4072Cb 0.19 0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1y1s h PRO 4072CO -0.11 -0.67 -0.27 0.66 -0.21 0.00 0.00 178.00 177.40 1y1s h SER 4073N -1.04 0.00 -0.39 -2.05 4.64 -1.80 -2.66 113.55 110.25 1y1s h SER 4073Ca -0.07 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 1y1s h SER 4073Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1y1s h SER 4073CO -0.03 0.27 -0.27 0.74 -0.87 0.00 0.00 176.83 176.67 1y1s h THR 4074N 0.00 1.28 -0.18 2.95 2.02 -0.88 -2.17 112.91 115.93 1y1s h THR 4074Ca -0.00 -1.43 -0.05 0.00 0.77 0.00 0.00 66.41 65.70 1y1s h THR 4074Cb 0.58 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1y1s h THR 4074CO 0.04 0.48 -0.12 0.77 0.37 0.00 0.00 175.52 177.05 1y1s h SER 4075N 0.68 0.26 0.18 4.18 4.64 0.67 -1.54 113.55 122.62 1y1s h SER 4075Ca 0.08 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1y1s h SER 4075Cb 0.85 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1y1s h SER 4075CO 0.07 0.41 -0.09 0.40 -0.87 0.00 0.00 176.83 176.76 1y1s h ILE 4076N 0.26 0.90 -0.31 0.95 2.04 -1.34 -0.01 117.51 120.01 1y1s h ILE 4076Ca 0.05 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.07 1y1s h ILE 4076Cb 0.38 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 1y1s h ILE 4076CO 0.02 0.19 -0.06 0.00 0.00 0.00 0.00 178.15 178.30 1y1s h ALA 4077N -0.08 0.22 0.61 1.87 0.00 -1.26 -0.08 119.26 120.53 1y1s h ALA 4077Ca -0.03 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1y1s h ALA 4077Cb 0.50 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1y1s h ALA 4077CO 0.04 -0.45 -0.29 0.28 0.00 0.00 0.00 179.25 178.83 1y1s h VAL 4078N 0.02 0.39 -0.28 0.00 2.07 -1.34 0.17 116.25 117.29 1y1s h VAL 4078Ca 0.15 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1y1s h VAL 4078Cb 0.22 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 1y1s h VAL 4078CO -0.30 0.01 -0.39 -0.08 0.02 0.00 0.00 177.57 176.83 1y1s h GLU 4079N -0.87 -0.36 -0.55 1.57 4.57 -0.75 0.26 114.58 118.45 1y1s h GLU 4079Ca -0.08 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1y1s h GLU 4079Cb 0.64 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 1y1s h GLU 4079CO 0.14 -0.24 0.05 0.93 -1.18 0.00 0.00 179.01 178.70 1y1s h GLU 4080N -0.38 0.91 -0.16 1.92 5.08 -0.99 -1.07 114.58 119.89 1y1s h GLU 4080Ca 0.12 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1y1s h GLU 4080Cb 0.58 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1y1s h GLU 4080CO -0.48 0.87 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.18 1y1s h LEU 4081N 0.85 0.24 -0.33 1.33 3.38 0.09 -2.52 115.31 118.36 1y1s h LEU 4081Ca 0.17 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1y1s h LEU 4081Cb 0.43 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1y1s h LEU 4081CO 0.02 0.42 -0.31 0.00 0.09 0.00 0.00 178.44 178.65 1y1s h ALA 4082N 1.61 0.48 0.00 1.53 0.00 0.35 -2.18 119.26 121.05 1y1s h ALA 4082Ca 0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1y1s h ALA 4082Cb 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1y1s h ALA 4082CO 0.03 0.52 -0.00 1.96 0.00 0.00 0.00 179.25 181.75 1y1s h GLN 4083N 0.56 0.00 -0.00 0.00 4.20 -0.83 -0.98 115.11 118.06 1y1s h GLN 4083Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1y1s h GLN 4083Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1y1s h GLN 4083CO 0.08 0.00 -0.13 1.28 -0.67 0.00 0.00 178.83 179.39 1y1s n LEU 4084N -3.93 0.62 0.00 1.46 4.77 -0.94 -4.92 117.00 114.06 1y1s n LEU 4084Ca -0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1y1s n LEU 4084Cb 0.09 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1y1s n LEU 4084CO 0.28 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1y1s n GLY 4085N 1.28 1.42 3.69 -0.72 0.00 -0.37 -4.81 105.19 105.68 1y1s n GLY 4085Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1y1s n GLY 4085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1s s ILE 4086N -2.00 4.16 0.00 -0.61 -1.09 -0.86 -4.53 121.20 116.26 1y1s s ILE 4086Ca 0.00 1.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1y1s s ILE 4086Cb 0.00 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1y1s s ILE 4086CO 0.00 0.02 0.56 0.54 -1.23 0.00 0.00 174.94 174.83 1y1s n ARG 4087N 5.00 -0.28 -3.77 2.79 3.00 0.78 -4.25 116.66 119.93 1y1s n ARG 4087Ca 0.11 -0.64 -0.19 0.00 -0.01 0.00 0.00 57.85 57.12 1y1s n ARG 4087Cb 0.46 -0.97 -0.17 0.00 0.00 0.00 0.00 32.46 31.78 1y1s n ARG 4087CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1y1s s THR 4088N -0.17 0.06 -0.12 0.55 2.01 -0.94 -0.30 115.64 116.74 1y1s s THR 4088Ca 0.00 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.28 1y1s s THR 4088Cb 0.00 -0.24 0.01 0.00 0.01 0.00 0.00 72.50 72.28 1y1s s THR 4088CO 0.00 0.17 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.55 1y1s s PHE 4089N 1.67 2.38 -0.29 4.92 0.40 0.19 -0.54 117.98 126.72 1y1s s PHE 4089Ca -0.01 -1.16 -0.03 0.00 -0.60 0.00 0.00 56.93 55.14 1y1s s PHE 4089Cb -0.13 -1.65 0.04 0.00 0.51 0.00 0.00 43.02 41.79 1y1s s PHE 4089CO -0.03 -0.54 -0.00 -0.51 0.70 0.00 0.00 175.22 174.83 1y1s s LEU 4090N 0.84 3.70 -0.02 -0.37 1.43 0.29 -1.27 118.68 123.28 1y1s s LEU 4090Ca -0.08 -1.08 -0.19 0.00 -1.03 0.00 0.00 54.13 51.76 1y1s s LEU 4090Cb -0.15 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 1y1s s LEU 4090CO -0.01 -0.22 0.53 -0.60 0.23 0.00 0.00 176.35 176.28 1y1s s ARG 4091N 1.31 4.24 -0.18 1.70 3.52 -0.76 -0.73 118.95 128.06 1y1s s ARG 4091Ca -0.02 0.60 0.01 0.00 -0.13 0.00 0.00 55.73 56.19 1y1s s ARG 4091Cb -0.18 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1y1s s ARG 4091CO -0.01 0.40 -0.16 -1.50 -0.81 0.00 0.00 175.30 173.21 1y1s s ILE 4092N -0.24 1.86 0.00 4.11 1.10 -1.24 -2.23 121.20 124.56 1y1s s ILE 4092Ca 0.28 -0.89 0.00 0.00 -0.51 0.00 0.00 60.65 59.53 1y1s s ILE 4092Cb -0.17 -1.74 0.00 0.00 0.15 0.00 0.00 42.46 40.70 1y1s s ILE 4092CO 0.15 0.44 0.00 0.61 -2.11 0.00 0.00 174.94 174.03 1y1s n GLY 4093N 4.67 4.33 3.30 1.50 0.00 -0.81 -3.85 105.19 114.33 1y1s n GLY 4093Ca -0.19 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 1y1s n GLY 4093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y1s s THR 4094N -1.67 1.93 0.33 2.61 -4.23 -1.26 -1.94 115.64 111.41 1y1s s THR 4094Ca 0.00 -1.25 0.05 0.00 -1.18 0.00 0.00 61.69 59.31 1y1s s THR 4094Cb 0.00 -1.65 -0.02 0.00 1.34 0.00 0.00 72.50 72.17 1y1s s THR 4094CO 0.00 0.35 0.31 0.28 -0.54 0.00 0.00 174.62 175.03 1y1s s THR 4095N -0.75 0.00 -0.18 3.99 -1.32 -0.84 -4.85 115.64 111.70 1y1s s THR 4095Ca 0.10 -1.92 0.01 0.00 -1.21 0.00 0.00 61.69 58.66 1y1s s THR 4095Cb -0.09 -2.53 0.04 0.00 -1.51 0.00 0.00 72.50 68.40 1y1s s THR 4095CO 0.01 0.00 -0.11 -0.83 -2.21 0.00 0.00 174.62 171.49 1y1s s GLY 4096N -3.34 1.19 0.30 6.08 0.00 -1.03 -1.00 107.32 109.51 1y1s s GLY 4096Ca 0.39 -1.08 -0.29 0.00 0.00 0.00 0.00 44.72 43.74 1y1s s GLY 4096CO 0.26 0.69 1.34 0.00 0.00 0.00 0.00 173.10 175.39 1y1s s ALA 4097N 1.45 3.53 -0.14 3.20 0.00 -0.32 -1.63 121.76 127.86 1y1s s ALA 4097Ca 0.01 1.27 0.18 0.00 0.00 0.00 0.00 51.96 53.42 1y1s s ALA 4097Cb -0.15 -3.50 -0.26 0.00 0.00 0.00 0.00 23.12 19.21 1y1s s ALA 4097CO -0.09 -0.67 0.18 -0.89 0.00 0.00 0.00 175.76 174.29 1y1s n ILE 4098N 1.35 0.93 -2.99 0.00 5.41 0.96 -1.09 119.36 123.92 1y1s n ILE 4098Ca 0.02 -0.71 -0.38 0.00 1.00 0.00 0.00 62.75 62.68 1y1s n ILE 4098Cb 0.41 -0.34 -0.06 0.00 -0.71 0.00 0.00 39.64 38.94 1y1s n ILE 4098CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1y1s s GLN 4099N -2.74 4.48 0.55 0.38 -1.52 -1.24 -4.59 119.66 114.98 1y1s s GLN 4099Ca -0.09 1.09 0.24 0.00 -1.95 0.00 0.00 55.36 54.66 1y1s s GLN 4099Cb 0.08 -3.10 1.55 0.00 -0.22 0.00 0.00 33.01 31.32 1y1s s GLN 4099CO 0.80 0.49 2.18 -1.35 -0.25 0.00 0.00 175.29 177.16 1y1s h PRO 4100N 3.94 0.00 0.00 2.91 0.11 -1.96 -2.95 132.00 134.05 1y1s h PRO 4100Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1y1s h PRO 4100Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1y1s h PRO 4100CO 0.66 0.03 -0.25 -2.39 -0.21 0.00 0.00 178.00 175.84 1y1s n HIS 4101N -4.06 0.18 -3.13 0.65 1.44 -1.26 -4.78 115.22 104.26 1y1s n HIS 4101Ca -0.03 0.05 -0.41 0.00 -2.01 0.00 0.00 57.72 55.32 1y1s n HIS 4101Cb 0.12 -0.49 -0.07 0.00 0.12 0.00 0.00 29.99 29.67 1y1s n HIS 4101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1y1s s ILE 4102N -3.03 4.95 0.23 0.61 1.01 -1.12 -5.05 121.20 118.80 1y1s s ILE 4102Ca 0.12 0.82 0.02 0.00 0.00 0.00 0.00 60.65 61.61 1y1s s ILE 4102Cb 0.17 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1y1s s ILE 4102CO 0.62 -0.14 0.38 0.20 0.00 0.00 0.00 174.94 176.01 1y1s s ASN 4103N 1.65 6.34 0.25 3.58 0.01 -1.26 -4.85 114.94 120.65 1y1s s ASN 4103Ca 0.24 0.24 -0.31 0.00 -0.71 0.00 0.00 52.86 52.33 1y1s s ASN 4103Cb -0.15 -1.94 -0.13 0.00 0.41 0.00 0.00 41.25 39.45 1y1s s ASN 4103CO 0.12 -0.07 1.51 0.52 -1.51 0.00 0.00 177.10 177.67 1y1s n VAL 4104N -1.09 0.83 0.00 1.60 0.31 -1.26 -1.13 118.33 117.58 1y1s n VAL 4104Ca -0.07 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1y1s n VAL 4104Cb 0.55 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1y1s n VAL 4104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y1s n GLY 4105N 2.39 2.89 3.77 2.92 0.00 0.06 -4.99 105.19 112.22 1y1s n GLY 4105Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1y1s n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y1s s ASP 4106N -1.20 6.31 -0.15 1.61 1.11 -0.29 -4.68 116.67 119.37 1y1s s ASP 4106Ca 0.00 2.56 -0.11 0.00 0.18 0.00 0.00 52.55 55.18 1y1s s ASP 4106Cb 0.00 -2.63 -0.05 0.00 1.07 0.00 0.00 42.92 41.31 1y1s s ASP 4106CO 0.00 -0.84 0.22 -0.69 1.18 0.00 0.00 175.17 175.04 1y1s s VAL 4107N -1.31 5.36 -0.18 -1.27 1.01 -0.64 -0.74 120.40 122.62 1y1s s VAL 4107Ca 0.58 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1y1s s VAL 4107Cb -0.36 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1y1s s VAL 4107CO 0.45 0.47 -0.17 -0.76 0.00 0.00 0.00 175.10 175.09 1y1s s LEU 4108N 0.02 2.16 -0.11 3.92 1.43 0.15 -2.11 118.68 124.14 1y1s s LEU 4108Ca 0.14 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 1y1s s LEU 4108Cb -0.12 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 1y1s s LEU 4108CO 0.03 -0.04 0.28 -0.69 0.23 0.00 0.00 176.35 176.15 1y1s s VAL 4109N 1.33 5.29 -0.22 -1.59 1.01 -0.65 -1.52 120.40 124.04 1y1s s VAL 4109Ca 0.03 0.53 -0.10 0.00 0.00 0.00 0.00 61.98 62.44 1y1s s VAL 4109Cb -0.14 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1y1s s VAL 4109CO -0.11 0.50 0.14 -0.89 0.00 0.00 0.00 175.10 174.74 1y1s s THR 4110N -0.30 5.33 -0.11 3.92 2.01 -0.37 -1.86 115.64 124.27 1y1s s THR 4110Ca 0.18 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 1y1s s THR 4110Cb -0.14 -3.46 -0.27 0.00 0.01 0.00 0.00 72.50 68.64 1y1s s THR 4110CO 0.06 0.38 0.63 0.71 -0.69 0.00 0.00 174.62 175.71 1y1s h THR 4111N 4.90 1.24 -2.58 -0.82 1.35 -1.18 -3.39 112.91 112.43 1y1s h THR 4111Ca -0.39 -2.40 0.01 0.00 -0.55 0.00 0.00 66.41 63.08 1y1s h THR 4111Cb 1.16 2.87 -0.15 0.00 -1.73 0.00 0.00 68.15 70.30 1y1s h THR 4111CO 0.69 0.65 0.30 0.00 -0.25 0.00 0.00 175.52 176.91 1y1s s ALA 4112N -2.42 -1.70 0.12 6.62 0.00 -1.26 -0.18 121.76 122.95 1y1s s ALA 4112Ca -0.19 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.64 1y1s s ALA 4112Cb 0.03 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1y1s s ALA 4112CO 0.75 -0.66 -0.14 -1.54 0.00 0.00 0.00 175.76 174.17 1y1s s SER 4113N -2.35 1.93 -0.03 0.00 1.04 -0.30 -2.94 113.70 111.05 1y1s s SER 4113Ca 0.00 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.32 1y1s s SER 4113Cb -0.01 -0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 1y1s s SER 4113CO -0.08 -0.16 1.42 -0.69 0.98 0.00 0.00 173.24 174.71 1y1s s VAL 4114N -2.16 3.76 -1.04 5.02 1.01 0.39 -4.37 120.40 123.01 1y1s s VAL 4114Ca 0.08 1.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.95 1y1s s VAL 4114Cb -0.05 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.70 1y1s s VAL 4114CO 0.03 -0.02 1.41 -0.13 0.00 0.00 0.00 175.10 176.38 1y1s s ARG 4115N 2.73 3.65 -0.33 2.72 0.52 -1.26 -2.02 118.95 124.96 1y1s s ARG 4115Ca 0.64 -1.40 0.08 0.00 -0.52 0.00 0.00 55.73 54.53 1y1s s ARG 4115Cb -0.31 -5.28 0.61 0.00 0.52 0.00 0.00 34.95 30.50 1y1s s ARG 4115CO 0.25 -2.11 1.67 1.28 0.02 0.00 0.00 175.30 176.42 1y1s n LEU 4116N 8.23 5.32 0.00 2.53 4.77 -0.87 -4.95 117.00 132.03 1y1s n LEU 4116Ca 0.33 -3.53 -0.14 0.00 -0.03 0.00 0.00 56.01 52.65 1y1s n LEU 4116Cb 0.50 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1y1s n LEU 4116CO 0.64 1.04 -0.02 -0.90 -1.33 0.00 0.00 177.39 176.81 1y1s n ASP 4117N -0.86 2.13 0.00 -1.43 3.85 -1.21 -2.26 116.55 116.77 1y1s n ASP 4117Ca 0.42 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.54 1y1s n ASP 4117Cb 1.29 0.05 0.00 0.00 -1.35 0.00 0.00 41.12 41.11 1y1s n ASP 4117CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y1s n GLY 4118N 1.93 0.00 0.37 6.12 0.00 -1.26 -4.74 105.19 107.61 1y1s n GLY 4118Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1y1s n GLY 4118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1s h ALA 4119N 0.00 1.42 -0.77 4.61 0.00 -1.98 -1.66 119.26 120.89 1y1s h ALA 4119Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1y1s h ALA 4119Cb 0.89 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1y1s h ALA 4119CO 0.00 0.49 0.51 0.66 0.00 0.00 0.00 179.25 180.91 1y1s h SER 4120N 1.14 0.50 0.30 0.00 4.64 -1.85 0.62 113.55 118.90 1y1s h SER 4120Ca 0.36 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1y1s h SER 4120Cb 0.01 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1y1s h SER 4120CO -0.11 0.27 0.00 0.18 -0.87 0.00 0.00 176.83 176.31 1y1s n LEU 4121N -4.50 0.47 -0.55 5.97 7.99 -0.62 -1.57 117.00 124.19 1y1s n LEU 4121Ca 0.14 0.67 0.09 0.00 -0.01 0.00 0.00 56.01 56.90 1y1s n LEU 4121Cb 0.45 -0.67 0.34 0.00 -0.11 0.00 0.00 43.42 43.42 1y1s n LEU 4121CO 0.32 -0.69 0.75 1.41 -1.51 0.00 0.00 177.39 177.67 1y1s n HIS 4122N -2.08 0.25 0.00 -1.77 8.25 0.22 -3.95 115.22 116.14 1y1s n HIS 4122Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1y1s n HIS 4122Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1y1s n HIS 4122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1y1s n PHE 4123N 0.31 0.00 -3.60 4.41 3.01 -0.61 -5.11 117.46 115.88 1y1s n PHE 4123Ca 0.15 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.45 1y1s n PHE 4123Cb 0.31 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.71 1y1s n PHE 4123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y1s s ALA 4124N -1.31 -1.45 1.06 4.37 0.00 -0.67 -4.99 121.76 118.78 1y1s s ALA 4124Ca 0.00 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1y1s s ALA 4124Cb 0.00 0.03 0.23 0.00 0.00 0.00 0.00 23.12 23.38 1y1s s ALA 4124CO 0.00 -0.34 1.07 -1.25 0.00 0.00 0.00 175.76 175.24 1y1s s PRO 4125N -1.26 -0.14 0.24 0.00 0.04 -1.26 -4.01 135.00 128.61 1y1s s PRO 4125Ca -0.12 1.05 0.21 0.00 0.04 0.00 0.00 61.00 62.18 1y1s s PRO 4125Cb -0.02 -1.63 0.95 0.00 0.04 0.00 0.00 34.50 33.84 1y1s s PRO 4125CO 0.08 -3.26 1.65 -0.12 0.04 0.00 0.00 177.00 175.39 1y1s n MET 4126N -4.62 0.16 0.07 4.56 1.56 -1.26 -2.29 117.12 115.29 1y1s n MET 4126Ca 0.06 0.46 0.13 0.00 -0.27 0.00 0.00 57.70 58.07 1y1s n MET 4126Cb 0.54 -1.84 0.32 0.00 2.15 0.00 0.00 33.22 34.39 1y1s n MET 4126CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1y1s n GLU 4127N -2.14 0.23 -2.29 2.12 0.00 -1.26 -4.79 120.64 112.50 1y1s n GLU 4127Ca 0.01 0.13 -0.41 0.00 0.00 0.00 0.00 57.16 56.89 1y1s n GLU 4127Cb 0.17 -1.71 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 1y1s n GLU 4127CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1y1s s PHE 4128N -3.11 3.33 0.16 -1.84 2.19 -0.97 -4.98 117.98 112.77 1y1s s PHE 4128Ca 0.09 1.28 -0.30 0.00 0.33 0.00 0.00 56.93 58.33 1y1s s PHE 4128Cb 0.14 -3.53 -0.07 0.00 -1.31 0.00 0.00 43.02 38.24 1y1s s PHE 4128CO 0.65 -1.62 1.16 -1.25 1.83 0.00 0.00 175.22 175.99 1y1s s PRO 4129N 0.05 4.52 -1.43 10.12 0.04 -1.26 -4.92 135.00 142.12 1y1s s PRO 4129Ca 0.56 1.79 -0.08 0.00 0.04 0.00 0.00 61.00 63.31 1y1s s PRO 4129Cb -0.34 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 30.97 1y1s s PRO 4129CO 0.36 -0.05 2.50 0.00 0.04 0.00 0.00 177.00 179.85 1y1s n ALA 4130N 2.68 6.75 -2.59 8.56 0.00 -1.26 -4.74 120.51 129.91 1y1s n ALA 4130Ca 0.04 -3.91 -0.38 0.00 0.00 0.00 0.00 53.44 49.19 1y1s n ALA 4130Cb 0.46 -3.08 -0.06 0.00 0.00 0.00 0.00 19.45 16.77 1y1s n ALA 4130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y1s s VAL 4131N 0.59 5.08 0.84 0.00 0.11 -1.26 -1.15 120.40 124.61 1y1s s VAL 4131Ca 0.57 0.93 -0.12 0.00 -2.93 0.00 0.00 61.98 60.43 1y1s s VAL 4131Cb 0.17 -3.78 0.10 0.00 -1.53 0.00 0.00 36.38 31.33 1y1s s VAL 4131CO -0.07 0.45 1.10 0.00 -3.33 0.00 0.00 175.10 173.25 1y1s s ALA 4132N -0.20 1.97 0.17 1.54 0.00 0.75 -4.69 121.76 121.30 1y1s s ALA 4132Ca 0.25 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 1y1s s ALA 4132Cb -0.16 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 1y1s s ALA 4132CO 0.12 -1.99 1.06 0.34 0.00 0.00 0.00 175.76 175.29 1y1s s ASP 4133N -3.77 7.34 0.15 0.00 -1.08 0.39 -4.97 116.67 114.73 1y1s s ASP 4133Ca 0.62 2.02 -0.17 0.00 -0.52 0.00 0.00 52.55 54.50 1y1s s ASP 4133Cb -0.16 -2.60 0.03 0.00 -1.46 0.00 0.00 42.92 38.73 1y1s s ASP 4133CO 0.55 -0.16 1.73 0.15 0.52 0.00 0.00 175.17 177.96 1y1s h PHE 4134N 5.12 0.10 -0.64 -5.34 3.57 -1.95 -1.21 116.94 116.60 1y1s h PHE 4134Ca -0.44 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 1y1s h PHE 4134Cb 1.21 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 1y1s h PHE 4134CO 0.63 0.02 0.24 0.00 -2.23 0.00 0.00 178.31 176.98 1y1s h ALA 4135N 1.22 1.23 -0.36 2.41 0.00 -1.95 -1.07 119.26 120.74 1y1s h ALA 4135Ca 0.14 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1y1s h ALA 4135Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1y1s h ALA 4135CO -0.18 0.56 -0.15 0.00 0.00 0.00 0.00 179.25 179.48 1y1s h THR 4137N 0.52 1.26 0.48 0.00 2.02 -1.00 -1.41 112.91 114.78 1y1s h THR 4137Ca 0.08 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 1y1s h THR 4137Cb 0.68 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1y1s h THR 4137CO 0.05 0.36 -0.23 0.74 0.37 0.00 0.00 175.52 176.81 1y1s h THR 4138N 1.07 0.52 -0.71 3.16 2.02 -1.11 -0.98 112.91 116.89 1y1s h THR 4138Ca 0.23 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.38 1y1s h THR 4138Cb 0.33 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 1y1s h THR 4138CO -0.00 0.02 0.39 0.00 0.37 0.00 0.00 175.52 176.30 1y1s h ALA 4139N -0.22 0.96 -0.71 6.16 0.00 -1.33 0.32 119.26 124.45 1y1s h ALA 4139Ca -0.07 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1y1s h ALA 4139Cb 0.53 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1y1s h ALA 4139CO 0.11 0.06 0.46 -0.07 0.00 0.00 0.00 179.25 179.80 1y1s h LEU 4140N 0.70 0.78 -0.46 0.00 3.38 -1.09 0.92 115.31 119.53 1y1s h LEU 4140Ca 0.32 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.14 1y1s h LEU 4140Cb 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1y1s h LEU 4140CO -0.20 0.55 -0.28 0.58 0.09 0.00 0.00 178.44 179.18 1y1s h VAL 4141N 0.92 1.27 -0.48 1.22 2.07 -0.33 -1.97 116.25 118.95 1y1s h VAL 4141Ca 0.27 -1.45 -0.11 0.00 0.82 0.00 0.00 66.70 66.24 1y1s h VAL 4141Cb -0.05 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1y1s h VAL 4141CO -0.08 0.49 -0.13 -0.33 0.02 0.00 0.00 177.57 177.54 1y1s h GLU 4142N 0.83 0.94 -0.19 1.57 4.39 0.33 -2.66 114.58 119.78 1y1s h GLU 4142Ca 0.09 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 1y1s h GLU 4142Cb 0.86 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1y1s h GLU 4142CO 0.08 1.03 -0.03 0.00 -1.16 0.00 0.00 179.01 178.92 1y1s h ALA 4143N 0.88 1.59 -0.17 3.43 0.00 0.93 -1.99 119.26 123.93 1y1s h ALA 4143Ca 0.12 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1y1s h ALA 4143Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1y1s h ALA 4143CO 0.05 0.30 -0.27 0.00 0.00 0.00 0.00 179.25 179.33 1y1s h ALA 4144N 1.70 1.22 -0.36 0.00 0.00 -1.01 -0.98 119.26 119.83 1y1s h ALA 4144Ca 0.06 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1y1s h ALA 4144Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1y1s h ALA 4144CO 0.01 0.51 -0.33 0.87 0.00 0.00 0.00 179.25 180.31 1y1s h LYS 4145N 0.29 0.86 0.85 0.00 1.57 -1.17 0.18 116.57 119.15 1y1s h LYS 4145Ca 0.04 -0.44 -0.04 0.00 -1.87 0.00 0.00 60.65 58.34 1y1s h LYS 4145Cb 0.63 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1y1s h LYS 4145CO 0.05 1.09 -0.41 0.77 -0.57 0.00 0.00 179.45 180.38 1y1s h SER 4146N 0.66 -0.96 -0.11 0.86 0.02 -1.07 -2.96 113.55 109.99 1y1s h SER 4146Ca 0.06 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1y1s h SER 4146Cb 0.91 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1y1s h SER 4146CO 0.08 -0.66 0.02 0.40 -1.14 0.00 0.00 176.83 175.54 1y1s h ILE 4147N -1.20 1.11 -1.44 3.27 1.08 -1.26 -3.48 117.51 115.59 1y1s h ILE 4147Ca -0.12 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1y1s h ILE 4147Cb 0.87 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1y1s h ILE 4147CO 0.19 0.14 0.00 0.61 -0.69 0.00 0.00 178.15 178.40 1y1s n GLY 4148N -1.23 -2.76 3.55 5.37 0.00 0.62 -5.09 105.19 105.64 1y1s n GLY 4148Ca -0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1y1s n GLY 4148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1s s ALA 4149N 0.00 -1.90 -0.48 4.61 0.00 -1.18 -5.00 121.76 117.81 1y1s s ALA 4149Ca 0.00 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 1y1s s ALA 4149Cb 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1y1s s ALA 4149CO 0.00 -0.49 1.31 0.95 0.00 0.00 0.00 175.76 177.52 1y1s s THR 4150N -2.08 3.98 0.12 0.00 -4.23 -1.26 -4.91 115.64 107.26 1y1s s THR 4150Ca 0.02 0.95 0.05 0.00 -1.18 0.00 0.00 61.69 61.53 1y1s s THR 4150Cb -0.01 -4.44 -0.04 0.00 1.34 0.00 0.00 72.50 69.36 1y1s s THR 4150CO -0.03 -0.99 0.04 -0.89 -0.54 0.00 0.00 174.62 172.21 1y1s s THR 4151N 5.23 4.14 -0.04 3.99 2.01 -1.26 -1.62 115.64 128.08 1y1s s THR 4151Ca 0.53 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 1y1s s THR 4151Cb -0.10 -3.03 0.03 0.00 0.01 0.00 0.00 72.50 69.42 1y1s s THR 4151CO 0.30 0.03 0.08 -1.00 -0.69 0.00 0.00 174.62 173.34 1y1s s HIS 4152N -1.50 -0.06 -0.21 4.92 3.76 -0.90 -4.98 115.29 116.33 1y1s s HIS 4152Ca 0.28 0.30 -0.02 0.00 -0.15 0.00 0.00 55.06 55.46 1y1s s HIS 4152Cb -0.11 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.41 1y1s s HIS 4152CO 0.20 -0.13 -0.10 0.08 -0.85 0.00 0.00 174.74 173.94 1y1s s VAL 4153N 1.14 2.88 0.00 -0.90 1.01 -1.26 -1.63 120.40 121.63 1y1s s VAL 4153Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1y1s s VAL 4153Cb -0.12 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1y1s s VAL 4153CO -0.04 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1y1s n GLY 4154N 4.73 1.66 3.76 4.51 0.00 -0.78 -4.95 105.19 114.12 1y1s n GLY 4154Ca -0.19 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 1y1s n GLY 4154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y1s s VAL 4155N -1.27 5.13 0.10 1.61 1.01 -1.26 -0.58 120.40 125.14 1y1s s VAL 4155Ca 0.00 0.90 0.09 0.00 0.00 0.00 0.00 61.98 62.97 1y1s s VAL 4155Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1y1s s VAL 4155CO 0.00 0.42 -0.24 0.42 0.00 0.00 0.00 175.10 175.70 1y1s s THR 4156N 0.02 1.98 -0.37 3.92 -4.23 -1.15 -1.37 115.64 114.44 1y1s s THR 4156Ca 0.25 -1.59 -0.17 0.00 -1.18 0.00 0.00 61.69 59.00 1y1s s THR 4156Cb -0.16 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1y1s s THR 4156CO 0.11 0.07 0.44 0.00 -0.54 0.00 0.00 174.62 174.70 1y1s s ALA 4157N -1.05 3.46 -0.51 3.99 0.00 0.92 -0.46 121.76 128.11 1y1s s ALA 4157Ca 0.10 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 50.61 1y1s s ALA 4157Cb -0.10 -2.97 0.05 0.00 0.00 0.00 0.00 23.12 20.10 1y1s s ALA 4157CO 0.05 -1.32 0.69 0.45 0.00 0.00 0.00 175.76 175.63 1y1s s SER 4158N 1.78 6.26 -0.08 0.00 0.15 -0.86 -1.80 113.70 119.16 1y1s s SER 4158Ca 0.14 -0.73 -0.05 0.00 0.70 0.00 0.00 55.95 56.02 1y1s s SER 4158Cb -0.16 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 1y1s s SER 4158CO 0.13 -0.94 0.13 -0.55 1.20 0.00 0.00 173.24 173.21 1y1s s SER 4159N 2.63 6.19 0.00 5.45 0.15 0.54 -2.04 113.70 126.62 1y1s s SER 4159Ca 0.19 0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.46 1y1s s SER 4159Cb -0.17 -1.95 1.31 0.00 -1.71 0.00 0.00 66.02 63.50 1y1s s SER 4159CO 0.14 0.36 1.82 0.47 1.20 0.00 0.00 173.24 177.24 1y1s n ASP 4160N 1.71 0.00 -4.05 5.45 10.43 -0.96 -4.38 116.55 124.75 1y1s n ASP 4160Ca -0.17 -0.29 -0.10 0.00 2.57 0.00 0.00 54.79 56.79 1y1s n ASP 4160Cb 0.54 -0.20 -0.11 0.00 1.84 0.00 0.00 41.12 43.20 1y1s n ASP 4160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1y1s s THR 4161N -2.39 0.37 -0.11 -3.53 -4.23 -1.26 -5.04 115.64 99.45 1y1s s THR 4161Ca 0.28 -1.26 0.16 0.00 -1.18 0.00 0.00 61.69 59.68 1y1s s THR 4161Cb 0.17 -0.79 -0.11 0.00 1.34 0.00 0.00 72.50 73.10 1y1s s THR 4161CO 0.34 -0.59 0.94 0.15 -0.54 0.00 0.00 174.62 174.93 1y1s h PHE 4162N 4.11 0.00 0.00 3.99 3.04 -1.97 -3.38 116.94 122.73 1y1s h PHE 4162Ca -0.34 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.61 1y1s h PHE 4162Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1y1s h PHE 4162CO 0.62 0.62 -0.03 0.66 -2.02 0.00 0.00 178.31 178.17 1y1s n TYR 4163N -2.99 0.00 -0.23 0.41 4.02 -1.26 -4.41 117.16 112.70 1y1s n TYR 4163Ca -0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.75 1y1s n TYR 4163Cb 0.84 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 40.23 1y1s n TYR 4163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1y1s h PRO 4164N -0.03 1.09 0.00 -0.72 0.13 -1.86 0.50 132.00 131.12 1y1s h PRO 4164Ca 0.00 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1y1s h PRO 4164Cb 0.03 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.00 1y1s h PRO 4164CO 0.00 0.95 0.00 0.78 -0.23 0.00 0.00 178.00 179.50 1y1s h GLY 4165N 1.08 0.00 -1.70 1.56 0.00 -1.87 -0.99 103.07 101.15 1y1s h GLY 4165Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1y1s h GLY 4165CO -0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1y1s n GLN 4166N -3.08 2.72 -4.11 4.80 6.02 -1.00 -4.91 117.38 117.82 1y1s n GLN 4166Ca -0.01 -2.90 -0.40 0.00 -0.01 0.00 0.00 57.00 53.68 1y1s n GLN 4166Cb 0.22 -1.85 -0.02 0.00 1.02 0.00 0.00 30.24 29.61 1y1s n GLN 4166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1y1s n GLU 4167N -0.63 -0.70 -3.62 -1.09 2.13 -0.37 -4.95 120.64 111.40 1y1s n GLU 4167Ca 0.24 0.12 -0.37 0.00 0.66 0.00 0.00 57.16 57.81 1y1s n GLU 4167Cb 0.93 -3.06 -0.06 0.00 0.27 0.00 0.00 31.44 29.51 1y1s n GLU 4167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1y1s s ARG 4168N -7.28 3.90 0.00 5.31 0.52 0.17 -4.99 118.95 116.58 1y1s s ARG 4168Ca 0.32 0.14 0.12 0.00 -0.52 0.00 0.00 55.73 55.80 1y1s s ARG 4168Cb -0.17 -3.28 0.06 0.00 0.52 0.00 0.00 34.95 32.07 1y1s s ARG 4168CO 0.97 0.56 0.81 0.66 0.02 0.00 0.00 175.30 178.32 1y1s n TYR 4169N 2.48 0.00 -1.08 -0.53 4.02 -1.26 -4.50 117.16 116.28 1y1s n TYR 4169Ca -0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.53 1y1s n TYR 4169Cb 0.53 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.73 1y1s n TYR 4169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1y1s n ASP 4170N 0.31 6.30 -4.73 7.72 10.43 -1.26 -4.44 116.55 130.88 1y1s n ASP 4170Ca 0.06 -2.49 -0.32 0.00 2.57 0.00 0.00 54.79 54.61 1y1s n ASP 4170Cb 0.28 -1.44 -0.08 0.00 1.84 0.00 0.00 41.12 41.72 1y1s n ASP 4170CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1y1s s THR 4171N 1.43 1.40 0.26 -3.53 -4.23 -1.26 -5.03 115.64 104.67 1y1s s THR 4171Ca 0.67 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1y1s s THR 4171Cb 0.27 -2.38 0.13 0.00 1.34 0.00 0.00 72.50 71.85 1y1s s THR 4171CO -0.02 0.00 1.77 0.22 -0.54 0.00 0.00 174.62 176.05 1y1s h TYR 4172N 1.44 0.89 0.00 3.99 5.03 -1.98 -3.14 116.97 123.21 1y1s h TYR 4172Ca -0.44 -0.11 -0.20 0.00 2.58 0.00 0.00 58.73 60.56 1y1s h TYR 4172Cb 1.30 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 39.29 1y1s h TYR 4172CO 1.30 0.79 -1.60 -1.13 -1.32 0.00 0.00 178.16 176.20 1y1s n SER 4173N -4.23 0.72 0.00 -2.11 3.41 -1.26 -4.96 113.62 105.18 1y1s n SER 4173Ca 0.03 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1y1s n SER 4173Cb 0.27 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1y1s n SER 4173CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y1s n GLY 4174N 1.45 0.52 3.39 5.00 0.00 -1.19 -4.98 105.19 109.38 1y1s n GLY 4174Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1y1s n GLY 4174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y1s s ARG 4175N -0.50 1.42 -0.01 1.61 1.70 -1.26 -4.90 118.95 117.01 1y1s s ARG 4175Ca 0.00 -1.48 0.08 0.00 -0.47 0.00 0.00 55.73 53.86 1y1s s ARG 4175Cb 0.00 -1.64 -0.02 0.00 -0.57 0.00 0.00 34.95 32.72 1y1s s ARG 4175CO 0.00 0.35 -0.26 0.08 -1.08 0.00 0.00 175.30 174.39 1y1s s VAL 4176N -1.83 2.09 0.67 4.99 1.01 -1.26 -4.98 120.40 121.08 1y1s s VAL 4176Ca 0.19 -1.13 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1y1s s VAL 4176Cb -0.07 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1y1s s VAL 4176CO 0.09 0.56 1.28 0.54 0.00 0.00 0.00 175.10 177.57 1y1s s VAL 4177N -0.64 2.03 0.19 2.92 0.11 -1.26 -4.64 120.40 119.11 1y1s s VAL 4177Ca 0.10 0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.93 1y1s s VAL 4177Cb -0.10 -2.93 0.08 0.00 -1.53 0.00 0.00 36.38 31.89 1y1s s VAL 4177CO -0.01 -0.01 1.56 -0.09 -3.33 0.00 0.00 175.10 173.23 1y1s h ARG 4178N 0.37 -0.11 -1.23 1.54 2.43 -1.99 -0.26 114.38 115.12 1y1s h ARG 4178Ca -0.50 0.01 0.40 0.00 -0.81 0.00 0.00 59.98 59.07 1y1s h ARG 4178Cb 1.33 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.78 1y1s h ARG 4178CO 0.52 -0.07 0.79 -0.09 -1.51 0.00 0.00 179.97 179.60 1y1s h ARG 4179N -0.12 0.15 -0.37 0.20 1.12 -2.01 -0.24 114.38 113.10 1y1s h ARG 4179Ca 0.23 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.09 1y1s h ARG 4179Cb 0.54 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 1y1s h ARG 4179CO -0.82 0.10 0.00 1.19 -3.11 0.00 0.00 179.97 177.32 1y1s n PHE 4180N -4.73 0.49 -2.18 2.20 3.01 -0.14 -4.77 117.46 111.33 1y1s n PHE 4180Ca 0.35 -0.32 -0.41 0.00 1.01 0.00 0.00 57.45 58.08 1y1s n PHE 4180Cb 1.30 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.73 1y1s n PHE 4180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1y1s s LYS 4181N -1.20 4.37 -1.01 -1.08 1.02 -0.10 -2.36 119.74 119.37 1y1s s LYS 4181Ca 0.32 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.41 1y1s s LYS 4181Cb 0.18 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1y1s s LYS 4181CO 0.25 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1y1s n GLY 4182N 2.34 -0.08 0.09 -3.33 0.00 -1.26 -4.81 105.19 98.15 1y1s n GLY 4182Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 1y1s n GLY 4182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y1s h SER 4183N 0.00 0.00 -0.20 1.61 4.64 -1.77 -3.32 113.55 114.50 1y1s h SER 4183Ca -0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1y1s h SER 4183Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1y1s h SER 4183CO 0.32 0.79 0.09 -0.03 -0.87 0.00 0.00 176.83 177.13 1y1s h MET 4184N 0.00 0.30 0.00 4.77 -1.53 -1.87 -2.23 114.93 114.37 1y1s h MET 4184Ca -0.06 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.15 1y1s h MET 4184Cb 1.65 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 32.65 1y1s h MET 4184CO 0.09 0.34 0.00 1.05 0.14 0.00 0.00 176.91 178.54 1y1s h GLU 4185N 0.18 0.00 -0.04 0.39 4.11 -1.98 -1.26 114.58 115.98 1y1s h GLU 4185Ca 0.07 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.45 1y1s h GLU 4185Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1y1s h GLU 4185CO -0.01 0.00 -0.16 0.93 0.07 0.00 0.00 179.01 179.84 1y1s h GLU 4186N 0.00 0.18 -0.77 1.06 5.08 -1.55 -0.66 114.58 117.92 1y1s h GLU 4186Ca 0.00 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1y1s h GLU 4186Cb 0.44 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1y1s h GLU 4186CO 0.00 0.78 0.32 -1.49 -1.00 0.00 0.00 179.01 177.62 1y1s h TRP 4187N -0.38 1.16 -0.41 4.33 -0.00 -1.13 -2.03 115.95 117.49 1y1s h TRP 4187Ca -0.01 -0.08 0.05 0.00 -0.00 0.00 0.00 58.89 58.84 1y1s h TRP 4187Cb 0.81 -0.35 -0.04 0.00 -0.00 0.00 0.00 29.16 29.58 1y1s h TRP 4187CO 0.14 0.88 0.16 0.37 -0.00 0.00 0.00 178.44 179.99 1y1s h GLN 4188N 1.11 0.32 0.00 0.49 4.15 -1.21 0.95 115.11 120.93 1y1s h GLN 4188Ca 0.26 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1y1s h GLN 4188Cb 0.20 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1y1s h GLN 4188CO -0.02 0.21 0.00 0.00 -1.93 0.00 0.00 178.83 177.09 1y1s h ALA 4189N 1.25 1.00 -0.38 3.38 0.00 -0.72 -1.87 119.26 121.93 1y1s h ALA 4189Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1y1s h ALA 4189Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1y1s h ALA 4189CO -0.18 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.74 1y1s n MET 4190N -2.43 2.29 -0.81 0.00 2.81 -0.34 -4.93 117.12 113.71 1y1s n MET 4190Ca 0.02 -1.96 0.00 0.00 -1.81 0.00 0.00 57.70 53.94 1y1s n MET 4190Cb 0.25 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1y1s n MET 4190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y1s n GLY 4191N 1.40 0.67 3.76 3.03 0.00 -0.70 -5.01 105.19 108.34 1y1s n GLY 4191Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1y1s n GLY 4191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y1s s VAL 4192N -2.39 2.55 -0.09 1.61 1.01 0.18 -4.66 120.40 118.61 1y1s s VAL 4192Ca 0.00 0.51 0.19 0.00 0.00 0.00 0.00 61.98 62.68 1y1s s VAL 4192Cb 0.00 -3.32 -0.29 0.00 0.00 0.00 0.00 36.38 32.77 1y1s s VAL 4192CO 0.00 0.10 0.30 1.15 0.00 0.00 0.00 175.10 176.65 1y1s n MET 4193N 1.41 0.72 -3.85 2.72 0.00 -0.47 -4.39 117.12 113.26 1y1s n MET 4193Ca 0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 57.70 57.53 1y1s n MET 4193Cb 0.40 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 32.10 1y1s n MET 4193CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1y1s s ASN 4194N -4.78 -0.22 -0.13 3.17 4.22 -1.26 -0.03 114.94 115.91 1y1s s ASN 4194Ca -0.08 -0.65 0.02 0.00 -2.14 0.00 0.00 52.86 50.01 1y1s s ASN 4194Cb 0.10 0.64 -0.00 0.00 1.28 0.00 0.00 41.25 43.28 1y1s s ASN 4194CO 0.83 -1.20 -0.20 -0.31 -2.04 0.00 0.00 177.10 174.19 1y1s s TYR 4195N -3.93 2.68 0.35 1.54 2.02 -0.65 -0.06 117.35 119.31 1y1s s TYR 4195Ca 0.13 -1.04 -0.00 0.00 -0.37 0.00 0.00 57.07 55.79 1y1s s TYR 4195Cb -0.03 -1.80 -0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1y1s s TYR 4195CO 0.04 -0.44 0.46 -1.83 -1.57 0.00 0.00 175.55 172.21 1y1s s GLU 4196N 0.56 1.94 -0.03 -0.62 4.04 -0.74 -2.48 118.70 121.36 1y1s s GLU 4196Ca -0.12 -1.83 0.05 0.00 0.04 0.00 0.00 54.97 53.11 1y1s s GLU 4196Cb -0.16 0.43 0.08 0.00 0.02 0.00 0.00 34.13 34.49 1y1s s GLU 4196CO 0.04 -0.79 0.93 -1.33 -1.84 0.00 0.00 175.26 172.27 1y1s n MET 4197N -0.59 1.52 0.00 -4.83 2.81 -1.26 -0.34 117.12 114.42 1y1s n MET 4197Ca 0.02 -1.50 0.00 0.00 -1.81 0.00 0.00 57.70 54.41 1y1s n MET 4197Cb 0.61 -0.96 0.00 0.00 -0.71 0.00 0.00 33.22 32.17 1y1s n MET 4197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1y1s n GLU 4198N -0.57 2.83 -0.35 0.03 4.71 -1.26 -3.63 120.64 122.40 1y1s n GLU 4198Ca 0.04 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.25 1y1s n GLU 4198Cb 0.47 -0.70 0.23 0.00 -1.01 0.00 0.00 31.44 30.42 1y1s n GLU 4198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1y1s h SER 4199N 0.00 0.94 -0.45 1.62 4.64 -1.95 -1.44 113.55 116.92 1y1s h SER 4199Ca 0.00 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1y1s h SER 4199Cb 0.15 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 1y1s h SER 4199CO 0.00 0.54 0.24 0.00 -0.87 0.00 0.00 176.83 176.74 1y1s h ALA 4200N 1.52 0.57 -0.04 5.18 0.00 -1.88 0.34 119.26 124.94 1y1s h ALA 4200Ca 0.47 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1y1s h ALA 4200Cb 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1y1s h ALA 4200CO -0.23 -0.09 -0.05 1.15 0.00 0.00 0.00 179.25 180.03 1y1s h THR 4201N 0.49 1.39 0.11 0.00 2.02 -1.86 -1.99 112.91 113.07 1y1s h THR 4201Ca 0.19 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.15 1y1s h THR 4201Cb 0.06 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1y1s h THR 4201CO -0.11 0.34 -0.26 0.25 0.37 0.00 0.00 175.52 176.11 1y1s h LEU 4202N -0.35 -0.74 -0.75 2.58 5.85 -1.07 0.25 115.31 121.07 1y1s h LEU 4202Ca 0.01 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1y1s h LEU 4202Cb 0.57 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1y1s h LEU 4202CO 0.01 -0.35 0.03 -0.07 -0.34 0.00 0.00 178.44 177.72 1y1s h LEU 4203N -0.46 0.95 -0.04 2.25 4.07 -0.41 -2.11 115.31 119.56 1y1s h LEU 4203Ca 0.03 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.72 1y1s h LEU 4203Cb 0.49 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1y1s h LEU 4203CO -0.16 0.99 -0.10 0.74 -1.08 0.00 0.00 178.44 178.84 1y1s h THR 4204N 0.91 1.45 -0.22 0.22 2.02 -1.24 -1.31 112.91 114.74 1y1s h THR 4204Ca 0.17 -1.47 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 1y1s h THR 4204Cb 0.49 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1y1s h THR 4204CO 0.02 0.40 0.02 0.00 0.37 0.00 0.00 175.52 176.33 1y1s h MET 4205N -0.41 0.31 0.08 6.66 -0.00 -0.96 -1.87 114.93 118.74 1y1s h MET 4205Ca -0.00 -0.05 -0.11 0.00 -0.00 0.00 0.00 59.70 59.55 1y1s h MET 4205Cb 0.70 -0.06 0.01 0.00 -0.00 0.00 0.00 31.60 32.25 1y1s h MET 4205CO 0.02 0.33 -0.47 0.00 -0.00 0.00 0.00 176.91 176.79 1y1s h ALA 4207N 0.04 1.18 -0.06 0.00 0.00 -1.17 0.22 119.26 119.47 1y1s h ALA 4207Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1y1s h ALA 4207Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1y1s h ALA 4207CO 0.08 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 1y1s n SER 4208N -3.48 2.91 -0.19 0.00 3.41 -0.71 -4.28 113.62 111.29 1y1s n SER 4208Ca -0.01 -1.93 0.07 0.00 -0.26 0.00 0.00 58.87 56.73 1y1s n SER 4208Cb 0.26 -0.02 0.09 0.00 -0.26 0.00 0.00 64.21 64.28 1y1s n SER 4208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y1s n GLN 4209N 1.27 0.96 -2.59 4.33 6.02 -0.89 -5.01 117.38 121.47 1y1s n GLN 4209Ca 0.14 -2.07 -0.18 0.00 -0.01 0.00 0.00 57.00 54.88 1y1s n GLN 4209Cb 0.56 -1.19 0.01 0.00 1.02 0.00 0.00 30.24 30.64 1y1s n GLN 4209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y1s n GLY 4210N -0.98 -0.31 3.49 1.08 0.00 -0.82 -4.98 105.19 102.66 1y1s n GLY 4210Ca 0.11 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1y1s n GLY 4210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1s s LEU 4211N -5.18 2.67 -0.08 0.99 1.43 0.72 -5.04 118.68 114.19 1y1s s LEU 4211Ca 0.12 -0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 1y1s s LEU 4211Cb -0.05 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1y1s s LEU 4211CO 0.15 0.13 0.24 -0.13 0.23 0.00 0.00 176.35 176.96 1y1s s ARG 4212N -2.57 3.66 -0.06 1.70 0.52 0.60 -3.91 118.95 118.89 1y1s s ARG 4212Ca 0.21 0.06 -0.14 0.00 -0.52 0.00 0.00 55.73 55.35 1y1s s ARG 4212Cb -0.09 -3.22 0.03 0.00 0.52 0.00 0.00 34.95 32.19 1y1s s ARG 4212CO 0.11 0.71 0.33 0.00 0.02 0.00 0.00 175.30 176.47 1y1s s ALA 4213N -0.94 -0.82 0.13 2.13 0.00 -1.26 0.54 121.76 121.54 1y1s s ALA 4213Ca 0.18 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.77 1y1s s ALA 4213Cb -0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1y1s s ALA 4213CO 0.07 -0.22 -0.08 0.20 0.00 0.00 0.00 175.76 175.73 1y1s s GLY 4214N -0.69 0.97 -0.04 0.00 0.00 -0.40 -0.46 107.32 106.71 1y1s s GLY 4214Ca -0.08 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.21 1y1s s GLY 4214CO 0.03 -1.54 -0.06 -0.29 0.00 0.00 0.00 173.10 171.24 1y1s s MET 4215N -3.79 0.92 -0.06 2.90 1.75 -1.26 -1.82 119.30 117.94 1y1s s MET 4215Ca 0.15 -0.18 -0.11 0.00 -1.25 0.00 0.00 55.69 54.31 1y1s s MET 4215Cb 0.04 -0.88 0.02 0.00 2.84 0.00 0.00 34.83 36.85 1y1s s MET 4215CO -0.01 -0.02 0.26 0.54 -0.65 0.00 0.00 175.02 175.14 1y1s s VAL 4216N 0.68 0.03 -0.09 10.11 0.11 -0.95 -1.23 120.40 129.06 1y1s s VAL 4216Ca -0.10 -0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 58.39 1y1s s VAL 4216Cb -0.13 -0.47 0.07 0.00 -1.53 0.00 0.00 36.38 34.32 1y1s s VAL 4216CO 0.01 -0.15 0.66 0.00 -3.33 0.00 0.00 175.10 172.29 1y1s s ALA 4217N -0.60 -1.70 -0.15 1.54 0.00 -0.57 -1.92 121.76 118.36 1y1s s ALA 4217Ca -0.07 1.39 -0.16 0.00 0.00 0.00 0.00 51.96 53.12 1y1s s ALA 4217Cb -0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1y1s s ALA 4217CO 0.02 -0.35 0.38 0.20 0.00 0.00 0.00 175.76 176.00 1y1s s GLY 4218N -0.88 2.26 0.19 0.00 0.00 -0.82 -0.67 107.32 107.39 1y1s s GLY 4218Ca -0.09 -0.37 -0.31 0.00 0.00 0.00 0.00 44.72 43.95 1y1s s GLY 4218CO 0.08 0.62 1.47 0.14 0.00 0.00 0.00 173.10 175.40 1y1s s VAL 4219N 0.66 2.81 0.00 1.40 1.01 0.09 -1.98 120.40 124.38 1y1s s VAL 4219Ca 0.20 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1y1s s VAL 4219Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1y1s s VAL 4219CO 0.07 0.07 0.55 2.30 0.00 0.00 0.00 175.10 178.09 1y1s n ILE 4220N 3.23 0.18 -3.58 2.22 -5.35 -0.17 -0.76 119.36 115.12 1y1s n ILE 4220Ca 0.10 -0.54 -0.11 0.00 -0.27 0.00 0.00 62.75 61.93 1y1s n ILE 4220Cb 0.40 0.99 -0.05 0.00 -1.74 0.00 0.00 39.64 39.24 1y1s n ILE 4220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1y1s s VAL 4221N -0.18 0.00 -0.36 7.28 0.11 -1.25 -4.27 120.40 121.73 1y1s s VAL 4221Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1y1s s VAL 4221Cb 0.00 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.95 1y1s s VAL 4221CO 0.00 0.00 0.10 0.21 -3.33 0.00 0.00 175.10 172.08 1y1s s ASN 4222N -1.06 4.97 0.53 3.54 3.84 -1.26 -1.17 114.94 124.33 1y1s s ASN 4222Ca -0.02 -1.97 0.33 0.00 0.21 0.00 0.00 52.86 51.41 1y1s s ASN 4222Cb -0.01 -1.72 1.49 0.00 -0.55 0.00 0.00 41.25 40.47 1y1s s ASN 4222CO 0.02 -0.43 1.83 0.03 -2.79 0.00 0.00 177.10 175.76 1y1s h ARG 4223N 7.85 0.03 0.00 0.43 2.47 -1.16 0.56 114.38 124.56 1y1s h ARG 4223Ca -0.10 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1y1s h ARG 4223Cb 1.04 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 1y1s h ARG 4223CO 0.59 0.02 0.00 0.25 0.56 0.00 0.00 179.97 181.40 1y1s n THR 4224N -4.25 0.00 0.00 2.04 -2.24 -1.26 -3.17 114.28 105.40 1y1s n THR 4224Ca 0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1y1s n THR 4224Cb 1.11 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1y1s n THR 4224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y1s n GLN 4225N -0.94 2.72 -3.57 -0.78 10.64 0.14 -5.09 117.38 120.50 1y1s n GLN 4225Ca 0.09 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.17 1y1s n GLN 4225Cb 0.04 -0.24 -0.04 0.00 -0.86 0.00 0.00 30.24 29.14 1y1s n GLN 4225CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1y1s s GLN 4226N -0.05 0.58 -0.09 2.61 -2.07 -0.91 -5.06 119.66 114.68 1y1s s GLN 4226Ca 0.00 0.05 0.12 0.00 -1.82 0.00 0.00 55.36 53.71 1y1s s GLN 4226Cb 0.00 0.27 -0.24 0.00 -1.09 0.00 0.00 33.01 31.96 1y1s s GLN 4226CO 0.00 -0.20 0.50 0.39 -1.32 0.00 0.00 175.29 174.66 1y1s n GLU 4227N 0.51 0.66 -4.76 9.60 1.02 -1.26 -3.56 120.64 122.85 1y1s n GLU 4227Ca -0.09 0.23 -0.28 0.00 -0.02 0.00 0.00 57.16 57.01 1y1s n GLU 4227Cb 0.59 -1.73 -0.17 0.00 -0.02 0.00 0.00 31.44 30.11 1y1s n GLU 4227CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1y1s s ILE 4228N -2.57 1.50 0.43 -3.67 -1.16 -1.26 -5.01 121.20 109.46 1y1s s ILE 4228Ca -0.08 -0.68 -0.21 0.00 -0.51 0.00 0.00 60.65 59.17 1y1s s ILE 4228Cb 0.07 -1.34 -0.15 0.00 0.61 0.00 0.00 42.46 41.65 1y1s s ILE 4228CO 0.82 0.44 0.07 -2.65 -2.81 0.00 0.00 174.94 170.80 1y1s n PRO 4229N 3.80 0.03 0.00 3.50 -0.02 -1.26 -5.06 135.00 135.98 1y1s n PRO 4229Ca -0.21 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1y1s n PRO 4229Cb 0.52 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 1y1s n PRO 4229CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1y1s n ASN 4230N 2.30 0.00 -0.36 2.55 2.85 -1.26 -5.12 115.26 116.22 1y1s n ASN 4230Ca 0.11 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.55 1y1s n ASN 4230Cb 0.41 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.46 1y1s n ASN 4230CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y1s h ALA 4231N -0.64 0.07 0.00 5.20 0.00 -1.97 -3.40 119.26 118.52 1y1s h ALA 4231Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1y1s h ALA 4231Cb 0.00 1.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1y1s h ALA 4231CO 0.00 -0.66 -0.72 -1.91 0.00 0.00 0.00 179.25 175.96 1y1s n GLU 4232N -5.45 1.79 0.00 0.00 2.13 -1.26 -5.11 120.64 112.74 1y1s n GLU 4232Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1y1s n GLU 4232Cb 0.38 -0.86 0.00 0.00 0.27 0.00 0.00 31.44 31.23 1y1s n GLU 4232CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1y1s n THR 4233N -1.83 0.00 -0.01 6.31 -2.24 -1.26 -3.61 114.28 111.65 1y1s n THR 4233Ca 0.00 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.01 1y1s n THR 4233Cb 0.36 0.00 0.63 0.00 -2.10 0.00 0.00 70.33 69.22 1y1s n THR 4233CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1y1s h MET 4234N 0.00 0.00 -1.55 -0.78 2.86 -1.94 -2.20 114.93 111.32 1y1s h MET 4234Ca 0.00 0.00 0.48 0.00 -2.06 0.00 0.00 59.70 58.12 1y1s h MET 4234Cb 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.56 1y1s h MET 4234CO 0.00 0.00 1.06 -0.22 1.06 0.00 0.00 176.91 178.81 1y1s h LYS 4235N 0.00 0.04 0.00 1.72 3.64 -1.99 0.93 116.57 120.92 1y1s h LYS 4235Ca 0.30 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1y1s h LYS 4235Cb 1.76 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.56 1y1s h LYS 4235CO -0.00 0.03 -1.12 1.04 -2.27 0.00 0.00 179.45 177.12 1y1s n GLN 4236N -4.36 0.05 -0.17 1.90 1.13 -0.84 -4.37 117.38 110.71 1y1s n GLN 4236Ca 0.39 0.02 -0.01 0.00 -1.94 0.00 0.00 57.00 55.45 1y1s n GLN 4236Cb 1.63 -0.59 0.07 0.00 0.11 0.00 0.00 30.24 31.46 1y1s n GLN 4236CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1y1s h THR 4237N -0.08 0.56 -0.09 5.09 2.02 -1.38 0.59 112.91 119.63 1y1s h THR 4237Ca -0.06 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1y1s h THR 4237Cb 1.05 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1y1s h THR 4237CO -0.03 0.02 0.04 -0.08 0.37 0.00 0.00 175.52 175.83 1y1s h GLU 4238N 0.10 0.13 -0.75 6.66 4.81 -1.06 -1.80 114.58 122.67 1y1s h GLU 4238Ca 0.27 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.57 1y1s h GLU 4238Cb 0.42 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 1y1s h GLU 4238CO -0.47 0.23 0.40 0.77 -0.73 0.00 0.00 179.01 179.21 1y1s h SER 4239N -0.00 0.55 0.00 1.04 0.02 -1.17 -0.60 113.55 113.40 1y1s h SER 4239Ca 0.03 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1y1s h SER 4239Cb 0.14 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1y1s h SER 4239CO -0.00 0.32 0.00 1.57 -1.14 0.00 0.00 176.83 177.58 1y1s n HIS 4240N -4.81 0.00 -0.34 3.45 -0.00 0.19 -0.61 115.22 113.11 1y1s n HIS 4240Ca 0.12 0.00 0.22 0.00 0.46 0.00 0.00 57.72 58.51 1y1s n HIS 4240Cb 0.27 -0.43 0.46 0.00 -0.12 0.00 0.00 29.99 30.16 1y1s n HIS 4240CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1y1s h ALA 4241N -1.75 2.02 -0.41 1.57 0.00 -1.25 0.38 119.26 119.82 1y1s h ALA 4241Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1y1s h ALA 4241Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1y1s h ALA 4241CO 0.00 -0.51 0.16 0.28 0.00 0.00 0.00 179.25 179.18 1y1s h VAL 4242N 0.45 1.20 -0.99 0.00 2.07 -0.79 -0.32 116.25 117.87 1y1s h VAL 4242Ca 0.66 -0.62 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1y1s h VAL 4242Cb 1.48 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 1y1s h VAL 4242CO -0.44 0.22 0.63 0.11 0.02 0.00 0.00 177.57 178.11 1y1s h LYS 4243N 0.51 1.07 -0.18 1.57 1.57 0.22 -0.68 116.57 120.65 1y1s h LYS 4243Ca 0.14 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1y1s h LYS 4243Cb 0.20 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1y1s h LYS 4243CO -0.01 0.71 -0.13 0.82 -0.57 0.00 0.00 179.45 180.27 1y1s h ILE 4244N 1.10 1.32 -0.11 1.86 2.04 -0.80 -2.30 117.51 120.62 1y1s h ILE 4244Ca 0.44 -1.23 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 1y1s h ILE 4244Cb 0.25 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1y1s h ILE 4244CO -0.20 0.37 -0.29 1.62 0.00 0.00 0.00 178.15 179.66 1y1s h VAL 4245N 0.08 1.25 -0.35 1.67 3.04 -0.68 0.18 116.25 121.45 1y1s h VAL 4245Ca 0.04 -1.17 -0.14 0.00 -1.01 0.00 0.00 66.70 64.41 1y1s h VAL 4245Cb 0.64 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 1y1s h VAL 4245CO 0.03 0.35 -0.34 0.58 -1.01 0.00 0.00 177.57 177.19 1y1s h VAL 4246N 0.18 1.28 0.00 1.51 2.07 -1.12 -1.38 116.25 118.80 1y1s h VAL 4246Ca 0.03 -1.51 -0.10 0.00 0.82 0.00 0.00 66.70 65.94 1y1s h VAL 4246Cb 0.61 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1y1s h VAL 4246CO 0.04 0.50 -0.49 -0.08 0.02 0.00 0.00 177.57 177.56 1y1s h GLU 4247N 0.63 0.00 -0.02 1.57 4.57 -1.04 -2.43 114.58 117.86 1y1s h GLU 4247Ca 0.06 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.09 1y1s h GLU 4247Cb 0.92 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 1y1s h GLU 4247CO 0.08 0.49 -0.64 0.00 -1.18 0.00 0.00 179.01 177.76 1y1s h ALA 4248N 1.51 0.89 -0.34 2.92 0.00 -0.40 -3.00 119.26 120.84 1y1s h ALA 4248Ca -0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 1y1s h ALA 4248Cb 0.93 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1y1s h ALA 4248CO 0.06 0.78 -0.39 0.00 0.00 0.00 0.00 179.25 179.71 1y1s h ALA 4249N 1.29 0.68 -0.84 0.00 0.00 -0.82 -2.78 119.26 116.79 1y1s h ALA 4249Ca -0.01 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.55 1y1s h ALA 4249Cb 1.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1y1s h ALA 4249CO 0.09 0.67 0.54 0.00 0.00 0.00 0.00 179.25 180.55 1y1s h ARG 4250N 0.66 0.77 0.00 0.00 3.08 -1.31 -1.30 114.38 116.28 1y1s h ARG 4250Ca 0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1y1s h ARG 4250Cb 0.95 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1y1s h ARG 4250CO 0.09 0.51 0.00 0.54 -1.07 0.00 0.00 179.97 180.04 1y1s n ARG 4251N -4.52 0.21 -0.25 0.04 1.74 -1.06 -3.55 116.66 109.27 1y1s n ARG 4251Ca 0.14 0.27 0.07 0.00 -0.77 0.00 0.00 57.85 57.55 1y1s n ARG 4251Cb 0.32 -1.79 0.19 0.00 -1.02 0.00 0.00 32.46 30.17 1y1s n ARG 4251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y1s n LEU 4252N -2.15 3.24 -0.27 0.55 4.77 -0.50 -5.03 117.00 117.60 1y1s n LEU 4252Ca 0.04 -2.13 0.15 0.00 -0.03 0.00 0.00 56.01 54.05 1y1s n LEU 4252Cb 0.34 -0.31 0.71 0.00 -2.33 0.00 0.00 43.42 41.83 1y1s n LEU 4252CO 0.26 0.76 0.97 0.18 -1.33 0.00 0.00 177.39 178.23