#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp6 h VAL 4006N 0.00 0.00 -3.43 2.41 -1.51 -1.92 -3.23 116.25 108.57 1pp6 h VAL 4006Ca 0.00 -0.42 -0.54 0.00 -1.23 0.00 0.00 66.70 64.51 1pp6 h VAL 4006Cb 0.00 1.32 -0.19 0.00 -2.13 0.00 0.00 31.29 30.30 1pp6 h VAL 4006CO 0.00 0.00 -0.80 -0.36 -1.23 0.00 0.00 177.57 175.18 1pp6 s PHE 4007N -3.21 1.86 -0.27 5.19 0.08 -1.26 -4.09 117.98 116.28 1pp6 s PHE 4007Ca 0.08 -0.45 -0.17 0.00 0.12 0.00 0.00 56.93 56.51 1pp6 s PHE 4007Cb 0.11 -0.95 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 1pp6 s PHE 4007CO 0.52 0.32 0.49 -1.14 -0.10 0.00 0.00 175.22 175.32 1pp6 s GLN 4008N -2.59 4.04 -0.66 0.44 0.74 -1.19 -4.87 119.66 115.57 1pp6 s GLN 4008Ca 0.14 0.25 -0.27 0.00 0.05 0.00 0.00 55.36 55.53 1pp6 s GLN 4008Cb -0.07 -3.66 0.01 0.00 1.10 0.00 0.00 33.01 30.39 1pp6 s GLN 4008CO 0.06 -0.36 1.44 -2.14 -0.55 0.00 0.00 175.29 173.74 1pp6 s PRO 4009N 2.28 3.10 -0.11 1.67 0.02 -1.26 0.02 135.00 140.72 1pp6 s PRO 4009Ca 0.20 0.13 0.03 0.00 0.02 0.00 0.00 61.00 61.38 1pp6 s PRO 4009Cb -0.16 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1pp6 s PRO 4009CO 0.09 -2.21 -0.23 0.08 -0.33 0.00 0.00 177.00 174.41 1pp6 s VAL 4010N 6.52 2.13 -0.19 3.83 1.01 -0.70 -4.98 120.40 128.02 1pp6 s VAL 4010Ca 0.46 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 1pp6 s VAL 4010Cb -0.10 -1.83 0.07 0.00 0.00 0.00 0.00 36.38 34.53 1pp6 s VAL 4010CO 0.19 0.55 0.71 1.51 0.00 0.00 0.00 175.10 178.07 1pp6 s ASP 4011N 0.49 -0.71 -0.23 3.32 3.84 -1.26 -1.37 116.67 120.76 1pp6 s ASP 4011Ca -0.15 1.16 0.12 0.00 -0.00 0.00 0.00 52.55 53.68 1pp6 s ASP 4011Cb -0.17 1.10 0.45 0.00 -1.38 0.00 0.00 42.92 42.92 1pp6 s ASP 4011CO 0.05 -0.38 1.35 1.67 -0.00 0.00 0.00 175.17 177.86 1pp6 n GLN 4012N 2.00 1.86 -3.66 2.11 0.00 -0.85 -4.98 117.38 113.85 1pp6 n GLN 4012Ca -0.16 -3.06 -0.35 0.00 -0.00 0.00 0.00 57.00 53.43 1pp6 n GLN 4012Cb 0.56 -1.72 -0.05 0.00 0.00 0.00 0.00 30.24 29.02 1pp6 n GLN 4012CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1pp6 s LEU 4013N -3.12 4.37 0.50 1.69 0.05 -1.25 -4.17 118.68 116.75 1pp6 s LEU 4013Ca 0.40 0.69 -0.23 0.00 0.05 0.00 0.00 54.13 55.04 1pp6 s LEU 4013Cb 0.37 -2.76 -0.07 0.00 -2.05 0.00 0.00 46.19 41.67 1pp6 s LEU 4013CO 0.00 0.23 1.34 -0.81 -0.55 0.00 0.00 176.35 176.56 1pp6 n PRO 4014N 1.14 1.86 -0.36 1.48 -0.04 -1.26 -4.66 135.00 133.15 1pp6 n PRO 4014Ca -0.11 0.67 -0.03 0.00 -0.04 0.00 0.00 63.50 64.00 1pp6 n PRO 4014Cb 0.53 -2.52 0.01 0.00 -0.04 0.00 0.00 33.50 31.47 1pp6 n PRO 4014CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1pp6 n GLU 4015N -0.55 -0.26 0.07 0.54 0.28 -1.26 0.23 120.64 119.69 1pp6 n GLU 4015Ca 0.08 1.41 0.02 0.00 -0.16 0.00 0.00 57.16 58.51 1pp6 n GLU 4015Cb 0.43 -2.08 0.11 0.00 1.43 0.00 0.00 31.44 31.33 1pp6 n GLU 4015CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1pp6 n ASP 4016N -5.31 0.11 -0.00 -1.84 5.75 -1.26 -0.22 116.55 113.78 1pp6 n ASP 4016Ca 0.08 0.34 0.06 0.00 -0.01 0.00 0.00 54.79 55.25 1pp6 n ASP 4016Cb 0.34 -0.30 -0.08 0.00 -1.03 0.00 0.00 41.12 40.06 1pp6 n ASP 4016CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1pp6 n LEU 4017N -1.54 0.37 -0.15 -2.12 4.77 0.61 -4.61 117.00 114.33 1pp6 n LEU 4017Ca -0.00 -0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 1pp6 n LEU 4017Cb 0.33 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1pp6 n LEU 4017CO 0.02 0.09 0.71 0.40 -1.33 0.00 0.00 177.39 177.28 1pp6 h ILE 4018N 0.00 1.27 -0.64 -0.08 2.04 -0.42 -2.04 117.51 117.64 1pp6 h ILE 4018Ca 0.00 -1.26 0.17 0.00 1.00 0.00 0.00 64.86 64.77 1pp6 h ILE 4018Cb 0.39 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1pp6 h ILE 4018CO 0.00 0.43 0.46 -0.65 0.00 0.00 0.00 178.15 178.39 1pp6 h PRO 4019N 0.72 0.09 0.00 2.37 0.11 -1.82 0.18 132.00 133.65 1pp6 h PRO 4019Ca 0.11 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 1pp6 h PRO 4019Cb 0.69 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 1pp6 h PRO 4019CO 0.05 0.06 -0.95 0.77 -0.21 0.00 0.00 178.00 177.72 1pp6 h SER 4020N 0.09 0.00 -0.27 -2.05 0.02 -1.81 -3.21 113.55 106.32 1pp6 h SER 4020Ca 0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1pp6 h SER 4020Cb 1.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1pp6 h SER 4020CO -0.03 0.26 0.16 0.28 -1.14 0.00 0.00 176.83 176.36 1pp6 h SER 4021N 0.00 0.33 -0.74 3.07 0.02 0.03 -2.64 113.55 113.61 1pp6 h SER 4021Ca -0.06 -0.06 0.12 0.00 -0.84 0.00 0.00 61.79 60.96 1pp6 h SER 4021Cb 1.25 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.62 1pp6 h SER 4021CO 0.02 0.29 0.34 0.40 -1.14 0.00 0.00 176.83 176.74 1pp6 h ILE 4022N 0.34 0.75 -0.90 3.27 2.04 -1.23 0.32 117.51 122.10 1pp6 h ILE 4022Ca 0.10 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1pp6 h ILE 4022Cb 0.03 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 1pp6 h ILE 4022CO -0.02 0.10 0.48 1.56 0.00 0.00 0.00 178.15 180.27 1pp6 h GLN 4023N 0.53 1.26 -0.39 2.37 1.08 -1.48 0.37 115.11 118.84 1pp6 h GLN 4023Ca 0.39 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 57.36 1pp6 h GLN 4023Cb 0.52 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1pp6 h GLN 4023CO -0.34 0.92 -0.07 0.28 -0.95 0.00 0.00 178.83 178.67 1pp6 h VAL 4024N 1.26 1.24 -0.64 -0.54 2.07 -1.02 0.48 116.25 119.10 1pp6 h VAL 4024Ca 0.31 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1pp6 h VAL 4024Cb 0.04 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1pp6 h VAL 4024CO -0.05 0.35 0.16 0.25 0.02 0.00 0.00 177.57 178.30 1pp6 h LEU 4025N 0.61 0.95 -0.14 2.57 5.85 0.43 -2.15 115.31 123.43 1pp6 h LEU 4025Ca 0.11 -0.19 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 1pp6 h LEU 4025Cb 0.49 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.29 1pp6 h LEU 4025CO 0.03 0.91 -0.75 0.11 -0.34 0.00 0.00 178.44 178.40 1pp6 h LYS 4026N 0.96 0.76 -0.32 1.25 1.57 0.78 -0.55 116.57 121.02 1pp6 h LYS 4026Ca 0.20 -0.63 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1pp6 h LYS 4026Cb 0.34 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1pp6 h LYS 4026CO -0.00 1.24 0.15 0.35 -0.57 0.00 0.00 179.45 180.62 1pp6 h PHE 4027N 0.48 0.47 -0.35 -1.35 3.57 0.04 -3.13 116.94 116.68 1pp6 h PHE 4027Ca -0.05 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.29 1pp6 h PHE 4027Cb 1.39 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 1pp6 h PHE 4027CO 0.09 0.42 -0.30 0.77 -2.23 0.00 0.00 178.31 177.06 1pp6 h SER 4028N 0.39 0.86 -1.00 0.41 0.02 -1.44 -3.19 113.55 109.60 1pp6 h SER 4028Ca 0.11 -0.45 0.24 0.00 -0.84 0.00 0.00 61.79 60.84 1pp6 h SER 4028Cb 0.13 -0.24 -0.12 0.00 0.14 0.00 0.00 62.40 62.30 1pp6 h SER 4028CO -0.01 1.14 0.58 1.23 -1.14 0.00 0.00 176.83 178.62 1pp6 h GLY 4029N 0.60 1.87 0.77 -3.77 0.00 -1.04 -1.80 103.07 99.70 1pp6 h GLY 4029Ca 0.06 -0.31 0.09 0.00 0.00 0.00 0.00 47.33 47.17 1pp6 h GLY 4029CO 0.08 -0.22 0.53 0.50 0.00 0.00 0.00 176.54 177.43 1pp6 h LYS 4030N 0.60 0.00 -3.35 4.80 1.57 -1.53 -3.36 116.57 115.30 1pp6 h LYS 4030Ca 0.63 0.00 -0.80 0.00 -1.87 0.00 0.00 60.65 58.61 1pp6 h LYS 4030Cb 1.16 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.20 1pp6 h LYS 4030CO -0.47 0.00 0.68 0.66 -0.57 0.00 0.00 179.45 179.76 1pp6 n TYR 4031N -3.29 3.96 -5.04 -1.35 4.01 -0.68 -5.00 117.16 109.77 1pp6 n TYR 4031Ca 0.05 -3.31 -0.32 0.00 -0.16 0.00 0.00 57.90 54.16 1pp6 n TYR 4031Cb 0.66 -1.55 -0.15 0.00 -0.31 0.00 0.00 39.34 37.98 1pp6 n TYR 4031CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1pp6 s LEU 4032N -1.75 2.38 -1.17 7.72 1.43 -1.26 -0.91 118.68 125.11 1pp6 s LEU 4032Ca 0.32 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1pp6 s LEU 4032Cb -0.03 -1.49 0.23 0.00 0.03 0.00 0.00 46.19 44.94 1pp6 s LEU 4032CO 0.00 0.21 1.45 2.29 0.23 0.00 0.00 176.35 180.53 1pp6 n LYS 4033N 3.23 3.72 -0.67 1.70 2.85 0.12 -4.85 118.16 124.26 1pp6 n LYS 4033Ca -0.18 -4.11 -0.31 0.00 -1.05 0.00 0.00 58.31 52.66 1pp6 n LYS 4033Cb 0.53 -2.76 0.17 0.00 -0.65 0.00 0.00 35.03 32.31 1pp6 n LYS 4033CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1pp6 n LEU 4034N 3.48 3.05 0.00 -5.58 7.94 -1.26 -3.49 117.00 121.13 1pp6 n LEU 4034Ca 0.32 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.62 1pp6 n LEU 4034Cb 0.38 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.87 1pp6 n LEU 4034CO 0.65 -2.26 0.00 1.21 -1.11 0.00 0.00 177.39 175.87 1pp6 n GLU 4035N -4.14 0.00 -3.04 1.96 4.07 -0.74 -4.94 120.64 113.81 1pp6 n GLU 4035Ca 0.12 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.09 1pp6 n GLU 4035Cb 0.52 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.97 1pp6 n GLU 4035CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1pp6 n GLN 4036N 0.00 -4.47 -2.14 5.31 1.13 -1.26 -2.85 117.38 113.10 1pp6 n GLN 4036Ca 0.00 0.65 -0.11 0.00 -1.94 0.00 0.00 57.00 55.60 1pp6 n GLN 4036Cb 0.00 -5.00 -0.02 0.00 0.11 0.00 0.00 30.24 25.33 1pp6 n GLN 4036CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1pp6 n ASP 4037N -2.64 -3.40 -4.02 1.08 4.64 -1.26 -4.92 116.55 106.03 1pp6 n ASP 4037Ca -0.19 0.24 -0.10 0.00 -1.38 0.00 0.00 54.79 53.35 1pp6 n ASP 4037Cb 0.62 -2.99 -0.11 0.00 -1.04 0.00 0.00 41.12 37.60 1pp6 n ASP 4037CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1pp6 s LYS 4038N -4.46 0.41 -0.12 -0.67 1.02 -1.13 -5.10 119.74 109.69 1pp6 s LYS 4038Ca 0.00 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.32 1pp6 s LYS 4038Cb 0.00 -0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.26 1pp6 s LYS 4038CO 0.00 -0.01 -0.19 0.00 -0.92 0.00 0.00 175.35 174.23 1pp6 s ALA 4039N -1.53 2.39 -0.08 5.17 0.00 -1.26 -1.79 121.76 124.66 1pp6 s ALA 4039Ca -0.13 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1pp6 s ALA 4039Cb -0.09 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 22.05 1pp6 s ALA 4039CO -0.01 0.25 0.01 0.71 0.00 0.00 0.00 175.76 176.73 1pp6 s TYR 4040N 0.37 0.61 0.12 0.00 2.02 -1.23 -4.78 117.35 114.47 1pp6 s TYR 4040Ca -0.15 -0.16 -0.34 0.00 -0.37 0.00 0.00 57.07 56.05 1pp6 s TYR 4040Cb -0.17 -0.78 -0.17 0.00 -0.40 0.00 0.00 41.96 40.44 1pp6 s TYR 4040CO 0.07 -0.33 0.97 0.34 -1.57 0.00 0.00 175.55 175.02 1pp6 n PHE 4041N 5.16 0.61 -3.33 2.71 -0.00 -1.26 0.12 117.46 121.47 1pp6 n PHE 4041Ca -0.07 0.88 -0.46 0.00 -0.00 0.00 0.00 57.45 57.81 1pp6 n PHE 4041Cb 0.50 -2.13 -0.05 0.00 -0.00 0.00 0.00 39.48 37.79 1pp6 n PHE 4041CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1pp6 s ASP 4042N -0.26 6.16 0.31 -2.13 -1.08 -0.08 -4.67 116.67 114.92 1pp6 s ASP 4042Ca 0.77 -1.84 0.06 0.00 -0.52 0.00 0.00 52.55 51.02 1pp6 s ASP 4042Cb -1.01 -2.19 0.50 0.00 -1.46 0.00 0.00 42.92 38.75 1pp6 s ASP 4042CO 0.55 -0.83 1.74 -0.50 0.52 0.00 0.00 175.17 176.65 1pp6 h TRP 4043N 8.80 0.35 -0.06 -5.34 4.06 -1.90 0.41 115.95 122.28 1pp6 h TRP 4043Ca -0.28 -0.08 -0.15 0.00 2.06 0.00 0.00 58.89 60.45 1pp6 h TRP 4043Cb 1.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.16 1pp6 h TRP 4043CO 0.73 0.60 -0.63 -1.35 -3.56 0.00 0.00 178.44 174.23 1pp6 h PRO 4044N 0.27 0.22 0.12 0.49 0.11 -1.99 -2.76 132.00 128.45 1pp6 h PRO 4044Ca 0.04 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1pp6 h PRO 4044Cb 0.70 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1pp6 h PRO 4044CO 0.05 0.78 -0.06 0.78 -0.21 0.00 0.00 178.00 179.34 1pp6 h GLY 4045N 1.53 -0.17 0.47 -0.55 0.00 -1.91 -2.43 103.07 100.01 1pp6 h GLY 4045Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1pp6 h GLY 4045CO 0.10 -0.06 0.00 0.33 0.00 0.00 0.00 176.54 176.90 1pp6 n PHE 4046N -4.89 0.00 -0.03 5.60 7.35 0.11 -2.41 117.46 123.19 1pp6 n PHE 4046Ca -0.08 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.57 1pp6 n PHE 4046Cb 0.28 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.09 1pp6 n PHE 4046CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pp6 n LYS 4047N -0.73 0.25 -0.40 -4.13 5.02 -1.04 -3.94 118.16 113.18 1pp6 n LYS 4047Ca 0.05 0.10 0.37 0.00 -2.02 0.00 0.00 58.31 56.81 1pp6 n LYS 4047Cb 0.02 -0.90 0.72 0.00 -0.02 0.00 0.00 35.03 34.86 1pp6 n LYS 4047CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1pp6 h THR 4048N -0.48 0.32 0.00 -0.18 1.35 -1.42 0.80 112.91 113.31 1pp6 h THR 4048Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1pp6 h THR 4048Cb 0.48 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.15 1pp6 h THR 4048CO 0.00 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 1pp6 n ALA 4049N -2.73 -0.36 -0.38 6.62 0.00 -1.01 -2.67 120.51 119.98 1pp6 n ALA 4049Ca 0.30 0.00 0.32 0.00 0.00 0.00 0.00 53.44 54.06 1pp6 n ALA 4049Cb 1.35 0.00 0.59 0.00 0.00 0.00 0.00 19.45 21.39 1pp6 n ALA 4049CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1pp6 h ILE 4050N 0.00 0.12 -1.21 0.00 2.04 -0.95 0.37 117.51 117.88 1pp6 h ILE 4050Ca 0.00 -0.04 -0.57 0.00 1.00 0.00 0.00 64.86 65.25 1pp6 h ILE 4050Cb 0.00 -0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 35.90 1pp6 h ILE 4050CO 0.00 0.02 0.80 -0.67 0.00 0.00 0.00 178.15 178.30 1pp6 n ASP 4051N -4.97 6.85 0.06 1.72 2.03 0.25 -3.48 116.55 119.02 1pp6 n ASP 4051Ca 0.36 -3.28 0.00 0.00 0.52 0.00 0.00 54.79 52.39 1pp6 n ASP 4051Cb 1.28 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1pp6 n ASP 4051CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pp6 n ASN 4052N 0.83 -1.06 -2.49 1.67 5.03 0.12 -4.82 115.26 114.54 1pp6 n ASN 4052Ca 0.51 0.23 -0.35 0.00 0.87 0.00 0.00 54.58 55.84 1pp6 n ASN 4052Cb 0.46 1.34 -0.06 0.00 -1.02 0.00 0.00 39.78 40.51 1pp6 n ASN 4052CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pp6 n TYR 4053N -2.73 0.85 -3.38 3.10 9.36 -0.35 -4.91 117.16 119.10 1pp6 n TYR 4053Ca 0.00 0.56 -0.42 0.00 3.32 0.00 0.00 57.90 61.36 1pp6 n TYR 4053Cb 0.00 -1.22 -0.09 0.00 -0.63 0.00 0.00 39.34 37.40 1pp6 n TYR 4053CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1pp6 s THR 4054N 2.15 5.15 0.00 2.97 2.01 -1.26 -5.02 115.64 121.64 1pp6 s THR 4054Ca 0.60 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1pp6 s THR 4054Cb -0.81 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 67.78 1pp6 s THR 4054CO 0.42 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1pp6 n GLY 4055N 5.04 1.45 0.13 4.40 0.00 -1.26 -5.01 105.19 109.94 1pp6 n GLY 4055Ca -0.09 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.79 1pp6 n GLY 4055CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pp6 h GLU 4056N 0.00 0.00 -0.32 1.61 3.07 -2.02 -3.36 114.58 113.56 1pp6 h GLU 4056Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pp6 h GLU 4056Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1pp6 h GLU 4056CO 0.00 0.16 0.00 -0.40 -1.40 0.00 0.00 179.01 177.37 1pp6 n ASP 4057N -2.90 1.97 -3.57 1.42 5.68 -1.26 -4.79 116.55 113.10 1pp6 n ASP 4057Ca -0.02 -1.92 -0.02 0.00 -0.50 0.00 0.00 54.79 52.33 1pp6 n ASP 4057Cb 0.66 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 40.38 1pp6 n ASP 4057CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1pp6 s LEU 4058N -1.17 -1.07 -0.03 -2.12 1.98 -1.26 -2.50 118.68 112.51 1pp6 s LEU 4058Ca 0.28 1.32 -0.00 0.00 -2.89 0.00 0.00 54.13 52.84 1pp6 s LEU 4058Cb 0.15 2.07 0.03 0.00 0.66 0.00 0.00 46.19 49.09 1pp6 s LEU 4058CO 0.20 -0.23 0.02 -0.55 -1.89 0.00 0.00 176.35 173.90 1pp6 s SER 4059N 2.83 0.48 0.36 3.68 0.15 -0.70 -4.74 113.70 115.76 1pp6 s SER 4059Ca -0.01 0.01 -0.27 0.00 0.70 0.00 0.00 55.95 56.38 1pp6 s SER 4059Cb -0.13 -0.16 -0.09 0.00 -1.71 0.00 0.00 66.02 63.93 1pp6 s SER 4059CO -0.18 -0.14 1.20 0.12 1.20 0.00 0.00 173.24 175.44 1pp6 s PHE 4060N 1.29 3.14 0.00 3.44 5.36 -1.26 -1.61 117.98 128.35 1pp6 s PHE 4060Ca -0.06 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 1pp6 s PHE 4060Cb -0.13 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 1pp6 s PHE 4060CO -0.03 -1.38 0.00 -0.40 -1.46 0.00 0.00 175.22 171.95 1pp6 n ASP 4061N 0.50 0.49 -3.64 6.13 3.85 -0.95 -4.93 116.55 117.99 1pp6 n ASP 4061Ca 0.02 -0.04 -0.05 0.00 -0.71 0.00 0.00 54.79 54.01 1pp6 n ASP 4061Cb 0.45 0.17 -0.07 0.00 -1.35 0.00 0.00 41.12 40.32 1pp6 n ASP 4061CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 1pp6 s LYS 4062N -0.27 0.26 0.25 0.11 2.20 -1.14 -5.02 119.74 116.12 1pp6 s LYS 4062Ca 0.00 0.33 0.10 0.00 -0.36 0.00 0.00 55.97 56.04 1pp6 s LYS 4062Cb 0.00 0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.39 1pp6 s LYS 4062CO 0.00 -0.03 -0.16 -0.47 -0.36 0.00 0.00 175.35 174.32 1pp6 s TYR 4063N 0.31 2.01 -0.19 4.03 5.04 -1.26 0.02 117.35 127.30 1pp6 s TYR 4063Ca 0.03 -0.47 -0.30 0.00 -2.44 0.00 0.00 57.07 53.88 1pp6 s TYR 4063Cb -0.05 -0.93 0.15 0.00 0.35 0.00 0.00 41.96 41.49 1pp6 s TYR 4063CO -0.11 0.52 1.13 0.34 -1.34 0.00 0.00 175.55 176.08 1pp6 s ASP 4064N -3.42 -0.24 0.41 4.32 -1.08 -0.92 -5.00 116.67 110.73 1pp6 s ASP 4064Ca 0.27 0.22 0.04 0.00 -0.52 0.00 0.00 52.55 52.55 1pp6 s ASP 4064Cb -0.02 0.20 -0.03 0.00 -1.46 0.00 0.00 42.92 41.62 1pp6 s ASP 4064CO 0.11 -0.25 0.11 -1.10 0.52 0.00 0.00 175.17 174.56 1pp6 s GLN 4065N -1.34 1.92 -0.30 4.34 -0.21 -1.26 -2.25 119.66 120.56 1pp6 s GLN 4065Ca 0.03 -2.17 -0.17 0.00 0.02 0.00 0.00 55.36 53.08 1pp6 s GLN 4065Cb -0.01 -0.72 0.18 0.00 1.00 0.00 0.00 33.01 33.47 1pp6 s GLN 4065CO -0.03 -0.44 1.15 0.45 -2.12 0.00 0.00 175.29 174.31 1pp6 s SER 4066N -3.62 -0.27 -0.23 5.90 0.15 -0.82 -4.97 113.70 109.84 1pp6 s SER 4066Ca 0.24 0.40 -0.06 0.00 0.70 0.00 0.00 55.95 57.22 1pp6 s SER 4066Cb 0.03 1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 65.52 1pp6 s SER 4066CO 0.14 -0.06 0.04 -0.89 1.20 0.00 0.00 173.24 173.67 1pp6 s THR 4067N 1.64 4.16 0.00 6.45 2.01 -1.26 -1.49 115.64 127.14 1pp6 s THR 4067Ca -0.05 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1pp6 s THR 4067Cb -0.03 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.56 1pp6 s THR 4067CO -0.14 0.37 0.00 -0.38 -0.69 0.00 0.00 174.62 173.78 1pp6 n ILE 4068N 4.71 0.00 0.00 1.82 5.41 0.04 -5.00 119.36 126.35 1pp6 n ILE 4068Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1pp6 n ILE 4068Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 1pp6 n ILE 4068CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pp6 n ALA 4077N -3.00 0.00 0.15 -1.39 0.00 -1.26 -0.13 120.51 114.88 1pp6 n ALA 4077Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1pp6 n ALA 4077Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1pp6 n ALA 4077CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pp6 h MET 4078N 0.00 0.00 -0.01 0.00 -0.00 -1.99 -3.24 114.93 109.69 1pp6 h MET 4078Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1pp6 h MET 4078Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1pp6 h MET 4078CO 0.00 0.47 -0.08 0.28 -0.00 0.00 0.00 176.91 177.58 1pp6 h VAL 4079N 0.00 1.55 0.00 -0.10 2.07 -1.98 -2.20 116.25 115.58 1pp6 h VAL 4079Ca -0.00 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1pp6 h VAL 4079Cb 1.30 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.74 1pp6 h VAL 4079CO 0.06 0.46 0.00 0.47 0.02 0.00 0.00 177.57 178.58 1pp6 n ASP 4080N -4.67 0.00 -0.09 0.57 8.00 -1.25 -1.89 116.55 117.22 1pp6 n ASP 4080Ca -0.09 0.11 -0.18 0.00 0.71 0.00 0.00 54.79 55.34 1pp6 n ASP 4080Cb 0.40 -0.28 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 1pp6 n ASP 4080CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1pp6 h LYS 4081N 0.00 0.00 -0.43 -1.24 3.64 -1.54 -3.04 116.57 113.95 1pp6 h LYS 4081Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1pp6 h LYS 4081Cb 0.11 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.84 1pp6 h LYS 4081CO 0.00 0.89 -0.14 0.82 -2.27 0.00 0.00 179.45 178.74 1pp6 h ILE 4082N -1.00 0.50 -0.66 2.00 2.04 -0.80 0.24 117.51 119.82 1pp6 h ILE 4082Ca -0.23 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.75 1pp6 h ILE 4082Cb 1.12 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 37.62 1pp6 h ILE 4082CO -0.14 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.24 1pp6 h ALA 4083N 1.34 0.86 -0.31 1.87 0.00 -1.53 0.13 119.26 121.63 1pp6 h ALA 4083Ca 0.21 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.30 1pp6 h ALA 4083Cb 0.37 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1pp6 h ALA 4083CO -0.47 -0.23 -0.24 -0.22 0.00 0.00 0.00 179.25 178.08 1pp6 h LYS 4084N 0.38 -0.21 -0.05 0.00 3.64 -0.44 0.83 116.57 120.72 1pp6 h LYS 4084Ca 0.35 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 1pp6 h LYS 4084Cb 0.49 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1pp6 h LYS 4084CO -0.37 -0.14 -0.23 0.35 -2.27 0.00 0.00 179.45 176.79 1pp6 h PHE 4085N -0.22 -0.60 0.76 1.91 3.57 0.02 0.39 116.94 122.76 1pp6 h PHE 4085Ca 0.16 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1pp6 h PHE 4085Cb 0.47 0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.49 1pp6 h PHE 4085CO -0.43 -0.31 -0.37 -0.07 -2.23 0.00 0.00 178.31 174.90 1pp6 h LEU 4086N -0.33 -0.87 -0.75 0.59 3.38 -0.50 1.42 115.31 118.25 1pp6 h LEU 4086Ca 0.08 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1pp6 h LEU 4086Cb 0.44 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.30 1pp6 h LEU 4086CO -0.24 -0.59 -0.53 -0.74 0.09 0.00 0.00 178.44 176.43 1pp6 h HIS 4087N -1.07 -1.64 0.48 1.13 2.76 0.93 0.83 115.15 118.57 1pp6 h HIS 4087Ca -0.10 0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1pp6 h HIS 4087Cb 0.79 0.82 0.00 0.00 1.55 0.00 0.00 27.41 30.57 1pp6 h HIS 4087CO -0.01 -0.42 -0.23 -0.44 -1.30 0.00 0.00 177.93 175.53 1pp6 h ASP 4088N -0.16 -0.54 -1.03 3.26 3.32 -0.10 0.03 116.42 121.20 1pp6 h ASP 4088Ca 0.16 -0.08 0.26 0.00 0.02 0.00 0.00 57.03 57.39 1pp6 h ASP 4088Cb 0.51 0.14 -0.11 0.00 0.22 0.00 0.00 39.33 40.10 1pp6 h ASP 4088CO -0.80 -0.19 0.64 0.00 -1.72 0.00 0.00 179.24 177.18 1pp6 h ALA 4089N -0.62 2.05 -2.08 3.45 0.00 0.24 -3.06 119.26 119.24 1pp6 h ALA 4089Ca -0.07 0.09 -0.57 0.00 0.00 0.00 0.00 54.91 54.36 1pp6 h ALA 4089Cb 0.59 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.00 1pp6 h ALA 4089CO 0.11 -0.49 -0.91 1.19 0.00 0.00 0.00 179.25 179.15 1pp6 n PHE 4090N -4.74 1.22 1.09 0.00 3.72 0.28 -4.87 117.46 114.17 1pp6 n PHE 4090Ca 0.26 -3.80 0.00 0.00 -0.05 0.00 0.00 57.45 53.86 1pp6 n PHE 4090Cb 0.83 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1pp6 n PHE 4090CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pp6 n ALA 4091N 1.13 2.05 0.06 4.37 0.00 -0.01 -1.71 120.51 126.40 1pp6 n ALA 4091Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.46 1pp6 n ALA 4091Cb 0.49 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.79 1pp6 n ALA 4091CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pp6 h ALA 4092N 2.09 0.21 0.00 0.00 0.00 -1.90 -3.45 119.26 116.22 1pp6 h ALA 4092Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1pp6 h ALA 4092Cb 0.03 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1pp6 h ALA 4092CO 0.00 1.08 -0.24 0.28 0.00 0.00 0.00 179.25 180.37 1pp6 n VAL 4093N -3.58 1.14 -1.88 0.00 0.31 -0.69 -5.07 118.33 108.56 1pp6 n VAL 4093Ca -0.26 0.31 -0.37 0.00 -0.01 0.00 0.00 64.34 64.00 1pp6 n VAL 4093Cb 1.07 -1.71 0.04 0.00 -0.91 0.00 0.00 33.84 32.33 1pp6 n VAL 4093CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1pp6 s VAL 4094N -2.08 2.30 -0.24 2.52 1.01 -0.88 -5.01 120.40 118.01 1pp6 s VAL 4094Ca -0.07 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1pp6 s VAL 4094Cb 0.01 -3.09 0.13 0.00 0.00 0.00 0.00 36.38 33.42 1pp6 s VAL 4094CO 0.10 -0.02 0.45 -1.81 0.00 0.00 0.00 175.10 173.82 1pp6 s ASP 4095N -1.25 -0.32 0.37 3.32 1.01 -1.26 -4.63 116.67 113.91 1pp6 s ASP 4095Ca 0.75 0.72 0.00 0.00 0.71 0.00 0.00 52.55 54.73 1pp6 s ASP 4095Cb -0.36 1.47 0.00 0.00 1.01 0.00 0.00 42.92 45.04 1pp6 s ASP 4095CO 0.41 -0.26 0.00 0.18 0.21 0.00 0.00 175.17 175.71 1pp6 n LEU 4096N 5.39 0.00 -0.05 1.23 4.32 -1.26 -3.34 117.00 123.30 1pp6 n LEU 4096Ca -0.06 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.09 1pp6 n LEU 4096Cb 0.50 0.00 0.88 0.00 -1.62 0.00 0.00 43.42 43.18 1pp6 n LEU 4096CO 0.03 0.00 1.07 -1.20 -1.22 0.00 0.00 177.39 176.06 1pp6 n SER 4097N -1.36 0.14 -0.14 -1.43 7.64 -1.26 -3.77 113.62 113.44 1pp6 n SER 4097Ca 0.00 -1.08 0.13 0.00 1.01 0.00 0.00 58.87 58.93 1pp6 n SER 4097Cb 0.00 -0.00 0.70 0.00 -1.01 0.00 0.00 64.21 63.90 1pp6 n SER 4097CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1pp6 n LYS 4098N -0.87 1.19 -0.01 1.43 4.76 -1.21 -3.14 118.16 120.31 1pp6 n LYS 4098Ca 0.23 -0.27 -0.01 0.00 -2.87 0.00 0.00 58.31 55.39 1pp6 n LYS 4098Cb 0.13 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 31.89 1pp6 n LYS 4098CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1pp6 n LEU 4099N -0.60 0.00 0.32 -0.35 -0.00 -1.25 -4.38 117.00 110.74 1pp6 n LEU 4099Ca 0.19 0.00 0.21 0.00 -0.00 0.00 0.00 56.01 56.41 1pp6 n LEU 4099Cb 0.16 0.03 1.06 0.00 -0.00 0.00 0.00 43.42 44.67 1pp6 n LEU 4099CO 0.15 0.03 1.12 0.00 -0.00 0.00 0.00 177.39 178.69 1pp6 h ALA 4100N 0.07 1.00 0.11 1.47 0.00 -1.70 -0.52 119.26 119.68 1pp6 h ALA 4100Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 1pp6 h ALA 4100Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1pp6 h ALA 4100CO 0.00 0.00 -1.42 0.00 0.00 0.00 0.00 179.25 177.83 1pp6 h ALA 4101N 2.00 0.23 -0.07 0.00 0.00 -1.76 -1.65 119.26 118.02 1pp6 h ALA 4101Ca 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 54.91 53.72 1pp6 h ALA 4101Cb 0.14 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1pp6 h ALA 4101CO 0.00 1.11 -0.63 0.82 0.00 0.00 0.00 179.25 180.55 1pp6 h ILE 4102N 0.06 1.39 0.14 0.00 2.04 -1.40 -1.98 117.51 117.77 1pp6 h ILE 4102Ca -0.20 -2.03 -0.01 0.00 1.00 0.00 0.00 64.86 63.63 1pp6 h ILE 4102Cb 1.99 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 40.10 1pp6 h ILE 4102CO 0.17 0.60 -0.07 0.40 0.00 0.00 0.00 178.15 179.25 1pp6 h ILE 4103N 0.18 0.63 -0.84 -0.67 2.04 -1.22 -3.22 117.51 114.41 1pp6 h ILE 4103Ca -0.01 -1.18 0.09 0.00 1.00 0.00 0.00 64.86 64.76 1pp6 h ILE 4103Cb 1.14 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 1pp6 h ILE 4103CO 0.10 0.18 0.49 0.25 0.00 0.00 0.00 178.15 179.17 1pp6 h LEU 4104N -0.96 0.72 -2.01 1.44 6.46 -1.38 -0.41 115.31 119.17 1pp6 h LEU 4104Ca -0.02 0.04 0.14 0.00 -0.12 0.00 0.00 57.88 57.92 1pp6 h LEU 4104Cb 0.44 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1pp6 h LEU 4104CO 0.03 0.42 0.36 0.78 -0.62 0.00 0.00 178.44 179.41 1pp6 h ASN 4105N 0.84 0.00 0.11 1.25 -0.26 -1.46 -0.82 115.58 115.24 1pp6 h ASN 4105Ca 0.40 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.13 1pp6 h ASN 4105Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1pp6 h ASN 4105CO -0.23 0.00 -0.05 0.74 -1.06 0.00 0.00 177.43 176.83 1pp6 h THR 4106N 0.00 0.00 -1.14 2.81 2.02 -1.09 -3.13 112.91 112.38 1pp6 h THR 4106Ca 0.23 -0.24 0.43 0.00 0.77 0.00 0.00 66.41 67.60 1pp6 h THR 4106Cb 0.94 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.19 1pp6 h THR 4106CO -0.00 0.00 0.67 -0.26 0.37 0.00 0.00 175.52 176.30 1pp6 h PHE 4107N -0.39 0.72 -0.25 3.16 0.04 -1.16 2.47 116.94 121.53 1pp6 h PHE 4107Ca -0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1pp6 h PHE 4107Cb 0.11 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1pp6 h PHE 4107CO 0.05 -0.38 0.00 0.25 -0.60 0.00 0.00 178.31 177.62 1pp6 n THR 4108N -5.05 0.33 -2.03 -1.55 -2.24 -0.35 -3.40 114.28 99.99 1pp6 n THR 4108Ca 0.38 -0.35 0.02 0.00 -2.27 0.00 0.00 64.05 61.83 1pp6 n THR 4108Cb 1.37 0.20 0.03 0.00 -2.10 0.00 0.00 70.33 69.82 1pp6 n THR 4108CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pp6 n ASN 4109N 0.27 0.60 -0.16 3.42 5.15 0.82 -4.81 115.26 120.55 1pp6 n ASN 4109Ca 0.11 -2.20 -0.07 0.00 -0.60 0.00 0.00 54.58 51.81 1pp6 n ASN 4109Cb 0.25 -0.27 -0.02 0.00 -0.53 0.00 0.00 39.78 39.21 1pp6 n ASN 4109CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1pp6 h LEU 4110N 0.33 -1.23 -0.87 1.20 -0.00 -1.15 -1.94 115.31 111.64 1pp6 h LEU 4110Ca -0.06 0.21 0.15 0.00 -0.00 0.00 0.00 57.88 58.18 1pp6 h LEU 4110Cb 1.48 0.57 -0.15 0.00 -0.00 0.00 0.00 40.66 42.56 1pp6 h LEU 4110CO 0.03 -0.33 -0.29 1.21 -0.00 0.00 0.00 178.44 179.06 1pp6 n GLU 4111N -5.42 -0.15 0.08 1.13 2.13 -1.26 0.78 120.64 117.92 1pp6 n GLU 4111Ca 0.02 1.35 -0.03 0.00 0.66 0.00 0.00 57.16 59.16 1pp6 n GLU 4111Cb 0.35 -2.02 -0.02 0.00 0.27 0.00 0.00 31.44 30.03 1pp6 n GLU 4111CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1pp6 h GLU 4112N 0.00 -0.21 -0.79 5.31 4.81 -1.84 -3.21 114.58 118.65 1pp6 h GLU 4112Ca 0.35 0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.90 1pp6 h GLU 4112Cb 0.57 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 29.86 1pp6 h GLU 4112CO -0.88 -0.14 0.32 0.39 -0.73 0.00 0.00 179.01 177.97 1pp6 n GLU 4113N -2.93 -0.05 -0.28 1.92 4.71 -0.66 0.36 120.64 123.71 1pp6 n GLU 4113Ca -0.03 1.11 -0.12 0.00 -0.01 0.00 0.00 57.16 58.11 1pp6 n GLU 4113Cb 0.08 -1.94 -0.10 0.00 -1.01 0.00 0.00 31.44 28.48 1pp6 n GLU 4113CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1pp6 h SER 4114N 0.00 -2.02 -1.04 1.62 0.87 0.36 0.47 113.55 113.82 1pp6 h SER 4114Ca 0.62 0.29 0.30 0.00 -1.23 0.00 0.00 61.79 61.77 1pp6 h SER 4114Cb 1.57 0.86 -0.04 0.00 -0.44 0.00 0.00 62.40 64.35 1pp6 h SER 4114CO -0.64 -0.32 0.94 -1.20 -0.53 0.00 0.00 176.83 175.08 1pp6 n SER 4115N -5.31 0.00 -4.92 6.23 7.64 0.16 -4.50 113.62 112.92 1pp6 n SER 4115Ca -0.01 0.62 -0.27 0.00 1.01 0.00 0.00 58.87 60.22 1pp6 n SER 4115Cb 0.30 -0.26 0.06 0.00 -1.01 0.00 0.00 64.21 63.31 1pp6 n SER 4115CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1pp6 s SER 4116N -3.57 4.98 -0.30 6.43 1.04 0.16 -5.02 113.70 117.42 1pp6 s SER 4116Ca -0.03 0.65 0.05 0.00 0.48 0.00 0.00 55.95 57.11 1pp6 s SER 4116Cb 0.14 -1.36 0.55 0.00 0.10 0.00 0.00 66.02 65.46 1pp6 s SER 4116CO 0.47 -1.52 1.65 0.61 0.98 0.00 0.00 173.24 175.42 1pp6 n GLY 4117N -2.94 3.59 0.00 7.32 0.00 -1.26 -3.93 105.19 107.97 1pp6 n GLY 4117Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1pp6 n GLY 4117CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pp6 n PHE 4118N -0.43 0.00 -3.91 1.61 1.16 -1.22 -3.63 117.46 111.04 1pp6 n PHE 4118Ca 0.40 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.63 1pp6 n PHE 4118Cb 1.30 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 39.03 1pp6 n PHE 4118CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pp6 s LEU 4119N -0.54 3.37 -0.33 5.98 1.43 -1.25 -2.17 118.68 125.17 1pp6 s LEU 4119Ca 0.00 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.18 1pp6 s LEU 4119Cb 0.00 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1pp6 s LEU 4119CO 0.00 -0.15 0.10 -1.58 0.23 0.00 0.00 176.35 174.95 1pp6 s GLN 4120N 1.36 2.78 0.57 1.70 2.00 -0.08 -4.93 119.66 123.05 1pp6 s GLN 4120Ca 0.00 -1.07 -0.08 0.00 -2.00 0.00 0.00 55.36 52.21 1pp6 s GLN 4120Cb -0.17 -3.44 -0.02 0.00 0.80 0.00 0.00 33.01 30.18 1pp6 s GLN 4120CO -0.03 -0.60 0.92 0.12 -0.50 0.00 0.00 175.29 175.20 1pp6 s PHE 4121N 1.44 3.47 -0.24 1.67 5.36 -1.26 -1.53 117.98 126.89 1pp6 s PHE 4121Ca -0.00 0.92 -0.36 0.00 -0.96 0.00 0.00 56.93 56.53 1pp6 s PHE 4121Cb -0.19 -2.62 0.15 0.00 -0.34 0.00 0.00 43.02 40.03 1pp6 s PHE 4121CO 0.03 -0.64 1.29 1.21 -1.46 0.00 0.00 175.22 175.65 1pp6 s ASN 4122N -4.21 -0.09 0.21 6.13 2.47 -1.22 -4.97 114.94 113.27 1pp6 s ASN 4122Ca 0.52 0.02 0.03 0.00 0.42 0.00 0.00 52.86 53.85 1pp6 s ASN 4122Cb -0.11 0.09 -0.05 0.00 -1.45 0.00 0.00 41.25 39.73 1pp6 s ASN 4122CO 0.48 -0.13 0.00 0.42 -3.72 0.00 0.00 177.10 174.15 1pp6 s THR 4123N -2.07 0.90 -2.82 -5.21 -4.23 -1.26 -2.87 115.64 98.08 1pp6 s THR 4123Ca 0.10 -2.02 0.23 0.00 -1.18 0.00 0.00 61.69 58.82 1pp6 s THR 4123Cb -0.01 -2.28 0.18 0.00 1.34 0.00 0.00 72.50 71.73 1pp6 s THR 4123CO -0.04 -0.36 1.22 -3.20 -0.54 0.00 0.00 174.62 171.70 1pp6 n ASN 4124N -0.36 2.89 0.00 3.99 5.15 -1.14 -5.01 115.26 120.78 1pp6 n ASN 4124Ca -0.05 -1.94 0.00 0.00 -0.60 0.00 0.00 54.58 51.98 1pp6 n ASN 4124Cb 0.64 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 1pp6 n ASN 4124CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1pp6 n ASN 4125N 1.27 0.00 0.03 1.20 3.02 -1.26 -4.19 115.26 115.34 1pp6 n ASN 4125Ca 0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.56 1pp6 n ASN 4125Cb 0.57 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.65 1pp6 n ASN 4125CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1pp6 h VAL 4126N 0.00 1.08 0.00 2.41 -1.51 -1.95 -3.11 116.25 113.17 1pp6 h VAL 4126Ca 0.00 -1.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 1pp6 h VAL 4126Cb 0.00 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1pp6 h VAL 4126CO 0.00 0.27 0.00 0.29 -1.23 0.00 0.00 177.57 176.90 1pp6 n LYS 4127N -4.90 0.13 -4.05 5.19 5.02 -1.26 -4.80 118.16 113.49 1pp6 n LYS 4127Ca -0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 1pp6 n LYS 4127Cb 0.28 -1.32 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1pp6 n LYS 4127CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pp6 n LYS 4128N -0.82 -0.32 -4.16 1.97 4.01 -1.18 -4.92 118.16 112.74 1pp6 n LYS 4128Ca 0.02 -0.02 -0.17 0.00 -0.51 0.00 0.00 58.31 57.63 1pp6 n LYS 4128Cb 0.01 -2.05 -0.06 0.00 -0.51 0.00 0.00 35.03 32.43 1pp6 n LYS 4128CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1pp6 n ASN 4129N -1.77 -1.07 -1.11 4.39 0.23 -1.26 -4.16 115.26 110.52 1pp6 n ASN 4129Ca -0.10 -3.09 -0.01 0.00 -0.53 0.00 0.00 54.58 50.85 1pp6 n ASN 4129Cb 0.49 2.18 -0.00 0.00 -2.08 0.00 0.00 39.78 40.37 1pp6 n ASN 4129CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1pp6 n SER 4130N -1.63 -0.07 -3.61 0.53 3.41 -0.36 -2.90 113.62 108.99 1pp6 n SER 4130Ca 0.04 -1.10 -0.00 0.00 -0.26 0.00 0.00 58.87 57.55 1pp6 n SER 4130Cb 0.61 0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 1pp6 n SER 4130CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1pp6 s SER 4131N -1.12 -0.04 -0.06 4.04 1.04 -1.14 -1.03 113.70 115.39 1pp6 s SER 4131Ca 0.02 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.45 1pp6 s SER 4131Cb -0.00 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1pp6 s SER 4131CO 0.01 -0.12 -0.18 0.26 0.98 0.00 0.00 173.24 174.20 1pp6 s TRP 4132N -2.19 1.85 -0.54 5.02 0.52 0.41 -3.39 118.94 120.61 1pp6 s TRP 4132Ca 0.13 -0.62 -0.18 0.00 0.02 0.00 0.00 56.10 55.44 1pp6 s TRP 4132Cb 0.02 -1.26 0.08 0.00 -1.15 0.00 0.00 33.47 31.17 1pp6 s TRP 4132CO -0.04 -0.25 0.63 -2.00 0.02 0.00 0.00 176.95 175.31 1pp6 s GLU 4133N 0.25 3.06 -0.22 4.98 2.56 -0.58 0.02 118.70 128.78 1pp6 s GLU 4133Ca -0.10 -1.18 -0.01 0.00 0.00 0.00 0.00 54.97 53.68 1pp6 s GLU 4133Cb -0.14 -4.19 0.01 0.00 2.00 0.00 0.00 34.13 31.82 1pp6 s GLU 4133CO 0.04 -1.35 -0.10 -0.47 -0.56 0.00 0.00 175.26 172.82 1pp6 s TYR 4134N 2.49 2.95 -0.09 5.30 5.04 0.01 -0.91 117.35 132.15 1pp6 s TYR 4134Ca 0.12 -1.42 -0.02 0.00 -2.44 0.00 0.00 57.07 53.30 1pp6 s TYR 4134Cb -0.23 -2.03 -0.03 0.00 0.35 0.00 0.00 41.96 40.02 1pp6 s TYR 4134CO 0.08 -0.70 0.02 1.03 -1.34 0.00 0.00 175.55 174.64 1pp6 s ARG 4135N 1.35 3.04 -0.07 4.97 0.52 -0.92 0.17 118.95 128.01 1pp6 s ARG 4135Ca 0.03 -0.38 -0.12 0.00 -0.52 0.00 0.00 55.73 54.75 1pp6 s ARG 4135Cb -0.15 -2.85 0.02 0.00 0.52 0.00 0.00 34.95 32.50 1pp6 s ARG 4135CO -0.07 0.71 0.29 0.54 0.02 0.00 0.00 175.30 176.79 1pp6 s VAL 4136N -0.92 0.03 -0.41 3.52 0.11 -0.04 -3.14 120.40 119.54 1pp6 s VAL 4136Ca 0.14 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 1pp6 s VAL 4136Cb -0.11 -0.49 0.12 0.00 -1.53 0.00 0.00 36.38 34.37 1pp6 s VAL 4136CO 0.03 -0.12 0.16 -0.22 -3.33 0.00 0.00 175.10 171.62 1pp6 s LEU 4137N -0.45 3.84 -0.26 2.54 2.96 0.10 -1.67 118.68 125.75 1pp6 s LEU 4137Ca -0.06 -2.45 -0.23 0.00 -0.22 0.00 0.00 54.13 51.18 1pp6 s LEU 4137Cb -0.04 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 1pp6 s LEU 4137CO 0.02 -0.32 0.75 -0.36 -1.32 0.00 0.00 176.35 175.12 1pp6 s PHE 4138N 0.52 3.28 -0.08 5.38 0.08 -0.86 -1.72 117.98 124.58 1pp6 s PHE 4138Ca 0.14 0.96 0.00 0.00 0.12 0.00 0.00 56.93 58.15 1pp6 s PHE 4138Cb -0.22 -3.00 0.02 0.00 -0.57 0.00 0.00 43.02 39.25 1pp6 s PHE 4138CO -0.06 -0.40 -0.07 -1.54 -0.10 0.00 0.00 175.22 173.05 1pp6 s SER 4139N 1.44 1.73 0.29 1.36 1.04 -0.47 0.21 113.70 119.30 1pp6 s SER 4139Ca 0.31 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.55 1pp6 s SER 4139Cb -0.15 -0.70 -0.06 0.00 0.10 0.00 0.00 66.02 65.21 1pp6 s SER 4139CO 0.09 -0.08 0.02 0.68 0.98 0.00 0.00 173.24 174.93 1pp6 s VAL 4140N 1.30 1.21 1.28 5.02 -7.23 0.93 -2.01 120.40 120.90 1pp6 s VAL 4140Ca -0.04 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 57.92 1pp6 s VAL 4140Cb -0.14 -2.61 0.30 0.00 0.56 0.00 0.00 36.38 34.49 1pp6 s VAL 4140CO -0.03 -0.14 0.78 -0.81 -0.31 0.00 0.00 175.10 174.60 1pp6 n PRO 4141N -0.59 -3.34 -0.00 4.82 -0.04 -1.26 0.11 135.00 134.70 1pp6 n PRO 4141Ca -0.03 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1pp6 n PRO 4141Cb 0.65 -1.96 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 1pp6 n PRO 4141CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pp6 n PHE 4142N -5.23 0.00 0.00 0.54 7.35 -1.23 -4.14 117.46 114.75 1pp6 n PHE 4142Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1pp6 n PHE 4142Cb 0.56 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 40.34 1pp6 n PHE 4142CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pp6 n GLY 4143N 2.69 3.94 0.00 7.13 0.00 -1.26 -4.76 105.19 112.93 1pp6 n GLY 4143Ca -0.01 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1pp6 n GLY 4143CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pp6 n ASP 4144N 0.00 0.00 0.22 1.61 9.92 -1.26 0.46 116.55 127.50 1pp6 n ASP 4144Ca 0.00 0.24 0.12 0.00 -0.53 0.00 0.00 54.79 54.62 1pp6 n ASP 4144Cb 0.00 -0.25 0.26 0.00 -0.64 0.00 0.00 41.12 40.48 1pp6 n ASP 4144CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1pp6 h ASN 4145N 0.00 0.00 -0.63 -2.24 -1.24 -2.01 -3.37 115.58 106.09 1pp6 h ASN 4145Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.74 1pp6 h ASN 4145Cb 0.00 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 38.86 1pp6 h ASN 4145CO 0.00 0.07 -0.59 0.00 -1.29 0.00 0.00 177.43 175.62 1pp6 n ALA 4146N -2.12 -0.82 -0.29 1.57 0.00 0.17 -5.04 120.51 113.99 1pp6 n ALA 4146Ca 0.03 -1.65 0.13 0.00 0.00 0.00 0.00 53.44 51.94 1pp6 n ALA 4146Cb 0.51 -1.28 0.37 0.00 0.00 0.00 0.00 19.45 19.05 1pp6 n ALA 4146CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pp6 h PRO 4147N 4.33 0.68 0.00 0.00 0.13 -1.71 -2.17 132.00 133.27 1pp6 h PRO 4147Ca -0.05 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1pp6 h PRO 4147Cb 1.02 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1pp6 h PRO 4147CO 0.27 0.45 0.00 0.77 -0.23 0.00 0.00 178.00 179.26 1pp6 h SER 4148N 0.70 0.00 -2.89 1.44 0.02 -1.96 -3.46 113.55 107.40 1pp6 h SER 4148Ca 0.48 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.82 1pp6 h SER 4148Cb 0.79 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 1pp6 h SER 4148CO -0.23 0.00 -0.49 -0.31 -1.14 0.00 0.00 176.83 174.66 1pp6 s TYR 4149N -3.41 3.51 -0.02 3.45 2.02 -0.81 0.27 117.35 122.37 1pp6 s TYR 4149Ca 0.04 0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.82 1pp6 s TYR 4149Cb 0.09 -1.76 0.03 0.00 -0.40 0.00 0.00 41.96 39.92 1pp6 s TYR 4149CO 0.50 0.57 0.38 -0.59 -1.57 0.00 0.00 175.55 174.85 1pp6 s PHE 4150N -1.54 -0.27 0.01 2.71 -0.71 0.28 -3.52 117.98 114.94 1pp6 s PHE 4150Ca 0.35 0.41 -0.19 0.00 -1.04 0.00 0.00 56.93 56.46 1pp6 s PHE 4150Cb -0.13 0.16 -0.06 0.00 -1.21 0.00 0.00 43.02 41.78 1pp6 s PHE 4150CO 0.28 -0.44 0.55 0.71 -1.34 0.00 0.00 175.22 174.98 1pp6 s TYR 4151N -1.36 3.71 -0.23 3.49 2.02 0.12 -0.98 117.35 124.11 1pp6 s TYR 4151Ca -0.13 1.17 -0.01 0.00 -0.37 0.00 0.00 57.07 57.73 1pp6 s TYR 4151Cb -0.04 -2.53 0.07 0.00 -0.40 0.00 0.00 41.96 39.06 1pp6 s TYR 4151CO 0.05 0.45 0.01 -1.12 -1.57 0.00 0.00 175.55 173.36 1pp6 s SER 4152N -0.51 3.56 -0.50 2.29 0.01 -1.16 -0.05 113.70 117.34 1pp6 s SER 4152Ca 0.29 -1.15 -0.16 0.00 1.31 0.00 0.00 55.95 56.24 1pp6 s SER 4152Cb -0.18 -0.92 0.09 0.00 0.21 0.00 0.00 66.02 65.21 1pp6 s SER 4152CO 0.17 -0.30 0.46 -0.22 0.41 0.00 0.00 173.24 173.76 1pp6 s LEU 4153N 1.59 5.68 -0.53 2.44 2.96 0.57 -1.39 118.68 130.00 1pp6 s LEU 4153Ca -0.01 -1.40 -0.25 0.00 -0.22 0.00 0.00 54.13 52.25 1pp6 s LEU 4153Cb -0.18 -2.22 0.04 0.00 0.50 0.00 0.00 46.19 44.32 1pp6 s LEU 4153CO -0.10 -0.75 0.96 -0.69 -1.32 0.00 0.00 176.35 174.45 1pp6 s VAL 4154N 1.78 4.38 -0.00 1.68 1.01 -0.98 -2.02 120.40 126.25 1pp6 s VAL 4154Ca 0.05 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.57 1pp6 s VAL 4154Cb -0.25 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.58 1pp6 s VAL 4154CO 0.06 -1.05 -0.19 -0.89 0.00 0.00 0.00 175.10 173.03 1pp6 s THR 4155N 3.98 2.68 -0.00 3.92 2.01 -0.67 -0.40 115.64 127.16 1pp6 s THR 4155Ca 0.33 -1.03 0.07 0.00 0.31 0.00 0.00 61.69 61.37 1pp6 s THR 4155Cb -0.11 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1pp6 s THR 4155CO 0.22 0.47 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.53 1pp6 s THR 4156N -0.79 1.62 -0.17 -0.82 2.01 0.20 -0.86 115.64 116.84 1pp6 s THR 4156Ca 0.12 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 1pp6 s THR 4156Cb -0.10 -1.36 0.05 0.00 0.01 0.00 0.00 72.50 71.10 1pp6 s THR 4156CO 0.02 0.39 0.04 -0.63 -0.69 0.00 0.00 174.62 173.76 1pp6 s ILE 4157N -0.56 0.34 -0.30 1.82 1.01 0.44 -1.55 121.20 122.41 1pp6 s ILE 4157Ca 0.08 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 1pp6 s ILE 4157Cb -0.08 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1pp6 s ILE 4157CO -0.00 -0.16 0.33 -0.22 0.00 0.00 0.00 174.94 174.89 1pp6 s LEU 4158N 1.95 4.17 -0.36 2.97 2.96 -0.42 -0.81 118.68 129.14 1pp6 s LEU 4158Ca 0.01 0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.91 1pp6 s LEU 4158Cb -0.16 -2.33 0.05 0.00 0.50 0.00 0.00 46.19 44.25 1pp6 s LEU 4158CO -0.08 -0.21 0.13 0.27 -1.32 0.00 0.00 176.35 175.15 1pp6 s ILE 4159N 1.98 3.75 0.03 6.68 -4.36 0.10 -1.68 121.20 127.70 1pp6 s ILE 4159Ca 0.12 -1.28 -0.00 0.00 -0.26 0.00 0.00 60.65 59.23 1pp6 s ILE 4159Cb -0.16 -3.19 -0.04 0.00 1.25 0.00 0.00 42.46 40.32 1pp6 s ILE 4159CO 0.11 -0.28 0.13 -0.89 0.24 0.00 0.00 174.94 174.25 1pp6 s THR 4160N 1.37 4.99 0.31 8.37 2.01 0.15 0.15 115.64 133.00 1pp6 s THR 4160Ca -0.00 -0.43 -0.14 0.00 0.31 0.00 0.00 61.69 61.43 1pp6 s THR 4160Cb -0.20 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1pp6 s THR 4160CO 0.02 0.25 0.64 0.00 -0.69 0.00 0.00 174.62 174.84 1pp6 s ALA 4161N -1.33 -0.50 -1.19 7.40 0.00 -0.20 -1.86 121.76 124.08 1pp6 s ALA 4161Ca 0.28 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1pp6 s ALA 4161Cb -0.12 0.90 0.21 0.00 0.00 0.00 0.00 23.12 24.11 1pp6 s ALA 4161CO 0.20 -0.94 2.11 -0.40 0.00 0.00 0.00 175.76 176.73 1pp6 n ASP 4162N -0.89 7.62 -4.28 0.00 3.85 -1.16 -2.59 116.55 119.10 1pp6 n ASP 4162Ca -0.04 -3.37 -0.32 0.00 -0.71 0.00 0.00 54.79 50.34 1pp6 n ASP 4162Cb 0.60 -1.28 -0.16 0.00 -1.35 0.00 0.00 41.12 38.93 1pp6 n ASP 4162CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1pp6 s ILE 4163N -2.45 2.39 0.00 2.12 1.09 -1.26 -4.91 121.20 118.17 1pp6 s ILE 4163Ca 0.47 -0.91 0.00 0.00 -1.10 0.00 0.00 60.65 59.11 1pp6 s ILE 4163Cb 0.18 -1.94 0.00 0.00 -1.06 0.00 0.00 42.46 39.64 1pp6 s ILE 4163CO -0.10 0.55 0.00 -0.62 -0.10 0.00 0.00 174.94 174.67 1pp6 n GLU 4164N 3.39 0.00 -2.02 2.79 1.02 -1.26 -1.22 120.64 123.35 1pp6 n GLU 4164Ca -0.18 0.47 -0.28 0.00 -0.02 0.00 0.00 57.16 57.14 1pp6 n GLU 4164Cb 0.53 -0.97 0.10 0.00 -0.02 0.00 0.00 31.44 31.08 1pp6 n GLU 4164CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1pp6 s GLU 4165N -0.96 1.76 -0.11 3.49 0.41 -1.26 -4.57 118.70 117.46 1pp6 s GLU 4165Ca 0.00 -0.14 -0.27 0.00 -0.41 0.00 0.00 54.97 54.15 1pp6 s GLU 4165Cb 0.00 -2.00 -0.27 0.00 -1.78 0.00 0.00 34.13 30.08 1pp6 s GLU 4165CO 0.00 -1.65 0.83 -0.22 -0.49 0.00 0.00 175.26 173.73 1pp6 h LYS 4166N -1.03 0.08 0.00 1.61 3.64 -2.00 -3.08 116.57 115.80 1pp6 h LYS 4166Ca -0.45 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1pp6 h LYS 4166Cb 1.31 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1pp6 h LYS 4166CO 0.58 1.04 0.09 0.25 -2.27 0.00 0.00 179.45 179.14 1pp6 n THR 4167N -4.50 1.38 -0.03 1.00 -2.24 -1.26 -0.83 114.28 107.80 1pp6 n THR 4167Ca -0.11 0.43 0.03 0.00 -2.27 0.00 0.00 64.05 62.13 1pp6 n THR 4167Cb 0.56 -1.43 0.38 0.00 -2.10 0.00 0.00 70.33 67.73 1pp6 n THR 4167CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1pp6 h GLY 4168N 0.00 0.64 0.43 3.38 0.00 -1.93 -1.56 103.07 104.03 1pp6 h GLY 4168Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1pp6 h GLY 4168CO 0.00 0.25 -0.14 0.79 0.00 0.00 0.00 176.54 177.44 1pp6 n TRP 4169N -4.44 0.00 -2.15 5.60 7.02 -0.01 -4.87 117.44 118.59 1pp6 n TRP 4169Ca 0.04 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.10 1pp6 n TRP 4169Cb 0.08 -0.12 -0.03 0.00 -2.42 0.00 0.00 31.31 28.82 1pp6 n TRP 4169CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1pp6 s TRP 4170N -2.37 3.22 0.00 -5.99 0.23 -0.59 -3.49 118.94 109.94 1pp6 s TRP 4170Ca 0.30 0.98 0.00 0.00 -2.03 0.00 0.00 56.10 55.35 1pp6 s TRP 4170Cb 0.20 -3.70 0.00 0.00 0.03 0.00 0.00 33.47 30.00 1pp6 s TRP 4170CO 0.46 -2.40 0.00 0.41 0.96 0.00 0.00 176.95 176.38 1pp6 n GLY 4171N 3.22 0.67 3.59 0.98 0.00 -1.26 -5.05 105.19 107.33 1pp6 n GLY 4171Ca 0.10 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1pp6 n GLY 4171CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pp6 n LEU 4172N 0.00 1.85 -4.25 0.99 4.77 -1.23 -5.04 117.00 114.09 1pp6 n LEU 4172Ca 0.00 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 1pp6 n LEU 4172Cb 0.00 -1.39 -0.10 0.00 -2.33 0.00 0.00 43.42 39.60 1pp6 n LEU 4172CO 0.00 -2.59 -0.35 0.42 -1.33 0.00 0.00 177.39 173.54 1pp6 s THR 4173N -2.55 0.83 0.40 -5.08 -4.23 -1.26 -4.63 115.64 99.12 1pp6 s THR 4173Ca 0.66 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.33 1pp6 s THR 4173Cb -0.23 -2.08 0.37 0.00 1.34 0.00 0.00 72.50 71.91 1pp6 s THR 4173CO 0.61 -0.53 1.83 -1.28 -0.54 0.00 0.00 174.62 174.71 1pp6 h SER 4174N 2.69 0.46 0.60 3.99 0.87 -1.96 -2.00 113.55 118.20 1pp6 h SER 4174Ca -0.37 0.06 -0.28 0.00 -1.23 0.00 0.00 61.79 59.97 1pp6 h SER 4174Cb 1.20 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 1pp6 h SER 4174CO 0.63 0.17 -1.45 0.28 -0.53 0.00 0.00 176.83 175.93 1pp6 h SER 4175N 0.45 0.18 -1.33 6.23 0.02 -2.02 -3.38 113.55 113.70 1pp6 h SER 4175Ca 0.51 -0.26 -0.70 0.00 -0.84 0.00 0.00 61.79 60.50 1pp6 h SER 4175Cb 1.21 -0.06 0.08 0.00 0.14 0.00 0.00 62.40 63.77 1pp6 h SER 4175CO -0.22 1.22 -0.06 0.41 -1.14 0.00 0.00 176.83 177.04 1pp6 n THR 4176N -3.31 0.95 -4.08 -2.27 -1.04 -0.75 -4.95 114.28 98.82 1pp6 n THR 4176Ca -0.13 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.05 61.35 1pp6 n THR 4176Cb 1.02 -0.29 -0.07 0.00 -1.82 0.00 0.00 70.33 69.17 1pp6 n THR 4176CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1pp6 s LYS 4177N -0.46 2.77 0.37 -2.82 1.02 -1.26 -4.85 119.74 114.51 1pp6 s LYS 4177Ca 0.76 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.86 1pp6 s LYS 4177Cb -1.02 -2.65 0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1pp6 s LYS 4177CO 0.55 0.54 0.69 1.17 -0.92 0.00 0.00 175.35 177.38 1pp6 n LYS 4178N 0.32 0.99 -3.33 1.68 3.00 -1.26 -5.09 118.16 114.47 1pp6 n LYS 4178Ca -0.09 -2.25 -0.46 0.00 -0.00 0.00 0.00 58.31 55.51 1pp6 n LYS 4178Cb 0.52 2.63 -0.04 0.00 0.00 0.00 0.00 35.03 38.14 1pp6 n LYS 4178CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1pp6 s ASN 4179N -2.99 6.44 -0.15 3.14 0.01 -1.26 -5.02 114.94 115.11 1pp6 s ASN 4179Ca 0.18 -2.23 -0.04 0.00 -0.71 0.00 0.00 52.86 50.06 1pp6 s ASN 4179Cb -0.04 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 1pp6 s ASN 4179CO 0.13 -0.72 -0.02 -0.36 -1.51 0.00 0.00 177.10 174.62 1pp6 s PHE 4180N 0.90 3.06 -0.07 2.20 0.08 -1.26 -2.97 117.98 119.91 1pp6 s PHE 4180Ca 0.10 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.99 1pp6 s PHE 4180Cb -0.20 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 1pp6 s PHE 4180CO -0.03 0.05 -0.17 0.00 -0.10 0.00 0.00 175.22 174.98 1pp6 s ALA 4181N 0.18 1.61 -0.04 5.36 0.00 -0.78 -5.02 121.76 123.08 1pp6 s ALA 4181Ca -0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 1pp6 s ALA 4181Cb -0.14 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1pp6 s ALA 4181CO 0.02 0.20 0.10 0.14 0.00 0.00 0.00 175.76 176.22 1pp6 s VAL 4182N 0.48 -0.03 -0.13 0.00 -7.23 0.81 -0.67 120.40 113.63 1pp6 s VAL 4182Ca -0.15 0.10 -0.04 0.00 -1.81 0.00 0.00 61.98 60.08 1pp6 s VAL 4182Cb -0.16 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 1pp6 s VAL 4182CO 0.05 0.04 0.03 -1.58 -0.31 0.00 0.00 175.10 173.33 1pp6 s GLN 4183N 0.64 3.45 -0.15 4.82 -0.44 -0.68 -0.78 119.66 126.53 1pp6 s GLN 4183Ca -0.05 -0.38 0.00 0.00 -2.50 0.00 0.00 55.36 52.43 1pp6 s GLN 4183Cb -0.07 -2.98 0.03 0.00 -1.64 0.00 0.00 33.01 28.35 1pp6 s GLN 4183CO -0.03 0.50 -0.12 0.42 0.50 0.00 0.00 175.29 176.57 1pp6 s ILE 4184N -0.30 1.41 -0.11 -2.34 1.01 -0.56 -1.30 121.20 119.01 1pp6 s ILE 4184Ca 0.07 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1pp6 s ILE 4184Cb -0.12 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 40.98 1pp6 s ILE 4184CO 0.02 0.39 -0.19 -1.81 0.00 0.00 0.00 174.94 173.35 1pp6 s ASP 4185N 1.55 2.72 -0.03 3.58 1.01 -0.59 -1.95 116.67 122.95 1pp6 s ASP 4185Ca 0.04 -0.50 -0.01 0.00 0.71 0.00 0.00 52.55 52.80 1pp6 s ASP 4185Cb -0.13 -1.24 0.03 0.00 1.01 0.00 0.00 42.92 42.59 1pp6 s ASP 4185CO -0.10 0.08 0.04 0.00 0.21 0.00 0.00 175.17 175.41 1pp6 s ALA 4186N 0.71 0.11 -0.25 5.23 0.00 -0.96 0.60 121.76 127.20 1pp6 s ALA 4186Ca -0.11 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1pp6 s ALA 4186Cb -0.16 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.65 1pp6 s ALA 4186CO 0.02 -0.23 -0.08 -1.17 0.00 0.00 0.00 175.76 174.30 1pp6 s LEU 4187N 1.41 3.05 0.06 0.00 0.20 0.46 -2.17 118.68 121.69 1pp6 s LEU 4187Ca -0.05 -1.30 -0.23 0.00 0.69 0.00 0.00 54.13 53.24 1pp6 s LEU 4187Cb -0.13 -1.38 -0.06 0.00 -0.43 0.00 0.00 46.19 44.19 1pp6 s LEU 4187CO -0.03 -0.21 0.71 -0.70 -0.29 0.00 0.00 176.35 175.82 1pp6 s GLU 4188N 1.23 4.44 0.41 1.98 2.12 0.10 -2.32 118.70 126.67 1pp6 s GLU 4188Ca -0.08 0.97 0.05 0.00 0.36 0.00 0.00 54.97 56.28 1pp6 s GLU 4188Cb -0.19 -3.32 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 1pp6 s GLU 4188CO -0.06 0.41 0.02 -0.51 -0.54 0.00 0.00 175.26 174.58 1pp6 s LEU 4189N -0.45 2.65 -0.08 2.70 1.43 -0.48 -2.25 118.68 122.19 1pp6 s LEU 4189Ca 0.35 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 1pp6 s LEU 4189Cb -0.20 -0.77 0.02 0.00 0.03 0.00 0.00 46.19 45.27 1pp6 s LEU 4189CO 0.22 -0.56 -0.05 -0.69 0.23 0.00 0.00 176.35 175.50 1pp6 s VAL 4190N -2.84 0.75 0.03 -1.59 1.01 -0.63 -2.99 120.40 114.14 1pp6 s VAL 4190Ca 0.30 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.18 1pp6 s VAL 4190Cb 0.08 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1pp6 s VAL 4190CO 0.15 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.68 1pp6 s VAL 4191N 1.43 1.45 0.03 2.92 1.01 -0.15 -1.72 120.40 125.37 1pp6 s VAL 4191Ca -0.02 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.94 1pp6 s VAL 4191Cb -0.13 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1pp6 s VAL 4191CO -0.04 0.17 -0.12 -0.75 0.00 0.00 0.00 175.10 174.37 1pp6 s LYS 4192N -1.05 2.32 0.14 2.72 2.20 -1.04 0.99 119.74 126.02 1pp6 s LYS 4192Ca 0.06 -0.85 -0.33 0.00 -0.36 0.00 0.00 55.97 54.49 1pp6 s LYS 4192Cb -0.08 -2.36 -0.17 0.00 -1.51 0.00 0.00 37.83 33.71 1pp6 s LYS 4192CO 0.01 0.57 0.86 1.63 -0.36 0.00 0.00 175.35 178.06 1pp6 n LYS 4193N 1.48 0.34 -0.14 4.03 5.02 0.14 -2.73 118.16 126.30 1pp6 n LYS 4193Ca -0.15 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1pp6 n LYS 4193Cb 0.52 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1pp6 n LYS 4193CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pp6 n GLY 4194N 1.81 0.93 3.73 0.72 0.00 -1.26 -5.02 105.19 106.09 1pp6 n GLY 4194Ca 0.17 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1pp6 n GLY 4194CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pp6 s PHE 4195N -2.00 3.21 -0.06 1.61 5.36 -1.11 -5.00 117.98 119.99 1pp6 s PHE 4195Ca 0.00 1.10 -0.00 0.00 -0.96 0.00 0.00 56.93 57.06 1pp6 s PHE 4195Cb 0.00 -3.67 0.03 0.00 -0.34 0.00 0.00 43.02 39.03 1pp6 s PHE 4195CO 0.00 -2.20 -0.02 0.15 -1.46 0.00 0.00 175.22 171.69 1pp6 s LYS 4196N 0.21 0.73 -0.34 10.12 1.02 -1.26 -4.69 119.74 125.53 1pp6 s LYS 4196Ca 0.60 0.01 -0.37 0.00 0.02 0.00 0.00 55.97 56.23 1pp6 s LYS 4196Cb -0.38 -0.94 -0.13 0.00 -0.52 0.00 0.00 37.83 35.87 1pp6 s LYS 4196CO 0.37 -0.21 2.12 0.00 -0.92 0.00 0.00 175.35 176.70 1pp6 n ALA 4197N 4.68 0.83 0.79 5.17 0.00 -1.26 -5.07 120.51 125.65 1pp6 n ALA 4197Ca -0.15 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.39 1pp6 n ALA 4197Cb 0.50 -2.46 0.37 0.00 0.00 0.00 0.00 19.45 17.87 1pp6 n ALA 4197CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15