#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qez s LEU 4003N 0.00 2.23 0.39 -5.58 1.43 -1.26 -5.16 118.68 110.73 1qez s LEU 4003Ca 0.00 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 1qez s LEU 4003Cb 0.00 -0.68 -0.07 0.00 0.03 0.00 0.00 46.19 45.46 1qez s LEU 4003CO 0.00 0.02 0.02 -0.94 0.23 0.00 0.00 176.35 175.68 1qez s SER 4004N -1.49 3.47 0.36 2.29 1.04 -1.26 -4.45 113.70 113.66 1qez s SER 4004Ca 0.02 -1.38 0.27 0.00 0.48 0.00 0.00 55.95 55.34 1qez s SER 4004Cb -0.09 -0.30 0.93 0.00 0.10 0.00 0.00 66.02 66.66 1qez s SER 4004CO 0.02 -0.50 1.78 -0.65 0.98 0.00 0.00 173.24 174.87 1qez h PRO 4005N 1.86 0.00 0.00 4.02 0.11 -1.81 -3.42 132.00 132.75 1qez h PRO 4005Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qez h PRO 4005Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1qez h PRO 4005CO 0.78 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 1qez n GLY 4006N 0.52 3.53 0.31 -0.55 0.00 -1.26 -0.45 105.19 107.29 1qez n GLY 4006Ca 0.03 -1.56 0.19 0.00 0.00 0.00 0.00 46.02 44.68 1qez n GLY 4006CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qez h LYS 4007N 0.00 0.00 -0.35 1.61 1.57 -1.94 -2.70 116.57 114.76 1qez h LYS 4007Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qez h LYS 4007Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1qez h LYS 4007CO 0.00 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 179.00 1qez n ASN 4008N -3.30 4.09 -4.76 0.86 4.13 -1.26 -5.01 115.26 110.01 1qez n ASN 4008Ca -0.02 -2.82 -0.39 0.00 1.68 0.00 0.00 54.58 53.03 1qez n ASN 4008Cb 0.15 -0.52 0.03 0.00 -1.54 0.00 0.00 39.78 37.90 1qez n ASN 4008CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qez s ALA 4009N -2.48 3.04 -2.20 5.41 0.00 -1.02 -1.22 121.76 123.29 1qez s ALA 4009Ca 0.42 1.43 0.19 0.00 0.00 0.00 0.00 51.96 54.00 1qez s ALA 4009Cb 0.32 -3.59 0.53 0.00 0.00 0.00 0.00 23.12 20.38 1qez s ALA 4009CO 0.12 -1.32 1.43 -0.35 0.00 0.00 0.00 175.76 175.64 1qez n PRO 4010N -0.62 2.19 0.02 0.00 -0.04 -1.26 -4.87 135.00 130.43 1qez n PRO 4010Ca 0.08 -1.83 -0.03 0.00 -0.04 0.00 0.00 63.50 61.68 1qez n PRO 4010Cb 0.43 -1.44 0.21 0.00 -0.04 0.00 0.00 33.50 32.67 1qez n PRO 4010CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1qez h ASP 4011N 3.27 0.46 -3.21 3.54 3.32 -1.55 -3.42 116.42 118.84 1qez h ASP 4011Ca 0.00 -0.15 -0.25 0.00 0.02 0.00 0.00 57.03 56.65 1qez h ASP 4011Cb 0.73 -0.13 -0.33 0.00 0.22 0.00 0.00 39.33 39.83 1qez h ASP 4011CO 0.00 0.71 -0.58 -0.69 -1.72 0.00 0.00 179.24 176.96 1qez s VAL 4012N -4.51 -0.18 0.17 -1.35 1.01 -1.01 -4.31 120.40 110.21 1qez s VAL 4012Ca -0.07 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.22 1qez s VAL 4012Cb 0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 1qez s VAL 4012CO 0.79 0.10 -0.13 0.68 0.00 0.00 0.00 175.10 176.54 1qez s VAL 4013N 1.76 1.46 0.09 2.92 -7.23 -0.59 -2.79 120.40 116.02 1qez s VAL 4013Ca -0.04 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 57.84 1qez s VAL 4013Cb -0.12 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 1qez s VAL 4013CO -0.07 -0.60 0.77 0.20 -0.31 0.00 0.00 175.10 175.10 1qez s ASN 4014N -3.06 7.28 -0.11 4.85 0.01 0.41 -1.09 114.94 123.24 1qez s ASN 4014Ca 0.17 1.53 0.01 0.00 -0.71 0.00 0.00 52.86 53.86 1qez s ASN 4014Cb -0.01 -2.48 0.02 0.00 0.41 0.00 0.00 41.25 39.19 1qez s ASN 4014CO 0.04 0.09 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.92 1qez s VAL 4015N -0.47 1.21 -0.38 1.60 1.01 -0.18 -4.08 120.40 119.11 1qez s VAL 4015Ca 0.38 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 1qez s VAL 4015Cb -0.21 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1qez s VAL 4015CO 0.24 0.39 0.67 -0.22 0.00 0.00 0.00 175.10 176.18 1qez s LEU 4016N 1.33 4.28 0.16 3.92 0.20 -0.76 -1.12 118.68 126.68 1qez s LEU 4016Ca -0.01 0.07 -0.30 0.00 0.69 0.00 0.00 54.13 54.57 1qez s LEU 4016Cb -0.14 -2.82 -0.08 0.00 -0.43 0.00 0.00 46.19 42.72 1qez s LEU 4016CO -0.05 -0.67 1.22 -0.69 -0.29 0.00 0.00 176.35 175.87 1qez s VAL 4017N 2.83 3.59 -0.11 1.68 1.01 0.68 -2.81 120.40 127.27 1qez s VAL 4017Ca 0.25 1.28 -0.04 0.00 0.00 0.00 0.00 61.98 63.48 1qez s VAL 4017Cb -0.14 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1qez s VAL 4017CO 0.17 0.18 -0.13 -0.62 0.00 0.00 0.00 175.10 174.69 1qez n GLU 4018N 2.88 0.25 -3.97 2.72 1.02 0.91 0.10 120.64 124.55 1qez n GLU 4018Ca 0.06 0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.95 1qez n GLU 4018Cb 0.45 -1.00 -0.14 0.00 -0.02 0.00 0.00 31.44 30.72 1qez n GLU 4018CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qez s ILE 4019N -2.21 2.74 0.59 -3.67 1.01 -0.40 -4.56 121.20 114.71 1qez s ILE 4019Ca -0.16 -1.21 -0.18 0.00 0.00 0.00 0.00 60.65 59.10 1qez s ILE 4019Cb 0.05 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 1qez s ILE 4019CO 0.22 0.10 1.16 -2.16 0.00 0.00 0.00 174.94 174.26 1qez s PRO 4020N 1.27 3.03 0.45 2.79 0.04 -1.26 -0.97 135.00 140.35 1qez s PRO 4020Ca -0.02 1.67 -0.25 0.00 0.04 0.00 0.00 61.00 62.44 1qez s PRO 4020Cb -0.18 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1qez s PRO 4020CO -0.04 -1.12 1.40 -1.14 0.04 0.00 0.00 177.00 176.13 1qez s GLN 4021N -3.47 3.68 0.00 4.56 0.74 -1.25 -2.18 119.66 121.74 1qez s GLN 4021Ca 0.74 2.35 0.00 0.00 0.05 0.00 0.00 55.36 58.50 1qez s GLN 4021Cb -0.26 -2.63 0.00 0.00 1.10 0.00 0.00 33.01 31.22 1qez s GLN 4021CO 0.33 -0.80 0.00 0.41 -0.55 0.00 0.00 175.29 174.68 1qez n GLY 4022N 0.60 2.76 3.74 2.59 0.00 0.48 -4.73 105.19 110.64 1qez n GLY 4022Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1qez n GLY 4022CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qez s SER 4023N -1.60 4.75 -0.05 1.61 0.15 -0.93 -4.54 113.70 113.10 1qez s SER 4023Ca 0.00 2.26 0.08 0.00 0.70 0.00 0.00 55.95 58.99 1qez s SER 4023Cb 0.00 -2.58 0.11 0.00 -1.71 0.00 0.00 66.02 61.84 1qez s SER 4023CO 0.00 -1.88 0.99 -0.46 1.20 0.00 0.00 173.24 173.09 1qez n ASN 4024N -2.29 1.31 -4.18 5.45 6.94 -1.26 -0.74 115.26 120.49 1qez n ASN 4024Ca 0.13 -2.30 -0.33 0.00 -0.02 0.00 0.00 54.58 52.06 1qez n ASN 4024Cb 0.51 -0.23 -0.16 0.00 -2.36 0.00 0.00 39.78 37.54 1qez n ASN 4024CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1qez s ILE 4025N -1.33 2.25 -0.74 1.53 1.01 -1.26 -1.87 121.20 120.79 1qez s ILE 4025Ca 0.13 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.64 1qez s ILE 4025Cb 0.11 -1.93 0.06 0.00 0.01 0.00 0.00 42.46 40.71 1qez s ILE 4025CO 0.01 0.53 1.13 -0.75 0.00 0.00 0.00 174.94 175.87 1qez s LYS 4026N 0.99 3.23 0.42 2.79 2.20 0.40 -4.92 119.74 124.83 1qez s LYS 4026Ca -0.03 -0.74 -0.10 0.00 -0.36 0.00 0.00 55.97 54.74 1qez s LYS 4026Cb -0.15 -4.38 -0.06 0.00 -1.51 0.00 0.00 37.83 31.73 1qez s LYS 4026CO -0.05 -1.96 0.78 0.71 -0.36 0.00 0.00 175.35 174.47 1qez s TYR 4027N 4.59 3.48 -0.10 4.03 2.02 -1.26 -1.21 117.35 128.90 1qez s TYR 4027Ca 0.30 1.03 -0.06 0.00 -0.37 0.00 0.00 57.07 57.97 1qez s TYR 4027Cb -0.11 -2.44 0.04 0.00 -0.40 0.00 0.00 41.96 39.05 1qez s TYR 4027CO 0.08 -0.14 0.25 -1.21 -1.57 0.00 0.00 175.55 172.96 1qez s GLU 4028N -3.96 0.23 -0.09 -0.62 2.02 0.05 -4.63 118.70 111.70 1qez s GLU 4028Ca 0.51 0.47 -0.26 0.00 0.02 0.00 0.00 54.97 55.71 1qez s GLU 4028Cb -0.10 -0.03 -0.03 0.00 0.10 0.00 0.00 34.13 34.07 1qez s GLU 4028CO 0.33 -0.12 0.84 -0.47 0.02 0.00 0.00 175.26 175.86 1qez s TYR 4029N 0.88 3.54 -0.46 1.61 5.04 -1.26 -0.50 117.35 126.20 1qez s TYR 4029Ca -0.06 1.40 -0.11 0.00 -2.44 0.00 0.00 57.07 55.86 1qez s TYR 4029Cb -0.07 -2.99 0.10 0.00 0.35 0.00 0.00 41.96 39.35 1qez s TYR 4029CO -0.06 -0.08 0.33 0.34 -1.34 0.00 0.00 175.55 174.75 1qez s ASP 4030N 1.00 5.78 0.42 4.32 -1.08 0.42 -4.95 116.67 122.58 1qez s ASP 4030Ca 0.42 -1.68 0.09 0.00 -0.52 0.00 0.00 52.55 50.86 1qez s ASP 4030Cb -0.18 -2.04 0.92 0.00 -1.46 0.00 0.00 42.92 40.15 1qez s ASP 4030CO 0.19 -0.65 2.05 -2.24 0.52 0.00 0.00 175.17 175.04 1qez h ASP 4031N 8.51 0.43 0.00 -0.34 3.04 -1.94 0.89 116.42 127.01 1qez h ASP 4031Ca -0.24 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 1qez h ASP 4031Cb 1.08 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.27 1qez h ASP 4031CO 0.84 0.30 0.00 -0.62 -2.04 0.00 0.00 179.24 177.72 1qez n GLU 4032N -4.48 0.00 0.29 4.15 1.02 -1.26 -3.18 120.64 117.18 1qez n GLU 4032Ca 0.04 0.37 0.18 0.00 -0.02 0.00 0.00 57.16 57.73 1qez n GLU 4032Cb 0.12 -1.36 0.88 0.00 -0.02 0.00 0.00 31.44 31.07 1qez n GLU 4032CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1qez h GLU 4033N 0.00 0.00 -1.55 3.49 5.08 -1.99 -3.46 114.58 116.15 1qez h GLU 4033Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1qez h GLU 4033Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1qez h GLU 4033CO 0.00 0.04 -0.21 0.41 -1.00 0.00 0.00 179.01 178.25 1qez n GLY 4034N -0.58 0.14 3.30 -3.84 0.00 0.30 -5.04 105.19 99.47 1qez n GLY 4034Ca -0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 1qez n GLY 4034CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qez s VAL 4035N -2.58 0.87 -0.35 1.61 -7.23 -0.98 -4.95 120.40 106.79 1qez s VAL 4035Ca 0.06 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 58.04 1qez s VAL 4035Cb -0.02 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 1qez s VAL 4035CO 0.07 -0.35 0.50 -0.63 -0.31 0.00 0.00 175.10 174.38 1qez s ILE 4036N -3.53 5.03 0.01 -0.62 -1.09 -1.26 -0.44 121.20 119.31 1qez s ILE 4036Ca 0.28 0.32 -0.01 0.00 -2.23 0.00 0.00 60.65 59.01 1qez s ILE 4036Cb 0.06 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1qez s ILE 4036CO 0.07 -0.19 0.13 -0.54 -1.23 0.00 0.00 174.94 173.18 1qez s LYS 4037N 2.35 3.21 -0.58 2.79 1.02 0.34 -4.89 119.74 123.98 1qez s LYS 4037Ca 0.18 -0.45 -0.23 0.00 0.02 0.00 0.00 55.97 55.49 1qez s LYS 4037Cb -0.16 -2.95 0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1qez s LYS 4037CO 0.13 0.64 0.94 0.08 -0.92 0.00 0.00 175.35 176.22 1qez s VAL 4038N -1.30 4.38 -0.00 3.17 1.01 -1.26 -0.77 120.40 125.63 1qez s VAL 4038Ca 0.27 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 1qez s VAL 4038Cb -0.12 -4.57 -0.16 0.00 0.00 0.00 0.00 36.38 31.52 1qez s VAL 4038CO 0.18 -1.21 1.16 -0.78 0.00 0.00 0.00 175.10 174.45 1qez h ASP 4039N 9.38 -0.32 -4.10 3.32 3.58 -1.48 -3.48 116.42 123.32 1qez h ASP 4039Ca -0.27 -0.20 0.17 0.00 0.42 0.00 0.00 57.03 57.15 1qez h ASP 4039Cb 1.07 0.08 -0.21 0.00 1.72 0.00 0.00 39.33 42.00 1qez h ASP 4039CO 1.11 0.08 0.69 0.00 -2.88 0.00 0.00 179.24 178.24 1qez s ARG 4040N -4.43 0.45 -0.39 0.28 1.70 -1.19 -5.04 118.95 110.34 1qez s ARG 4040Ca -0.14 -0.05 -0.18 0.00 -0.47 0.00 0.00 55.73 54.89 1qez s ARG 4040Cb 0.02 0.21 0.01 0.00 -0.57 0.00 0.00 34.95 34.62 1qez s ARG 4040CO 0.53 -0.17 0.49 0.08 -1.08 0.00 0.00 175.30 175.15 1qez s VAL 4041N -1.93 5.02 -0.16 4.99 1.01 -1.26 -0.46 120.40 127.62 1qez s VAL 4041Ca 0.05 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1qez s VAL 4041Cb -0.01 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 32.21 1qez s VAL 4041CO -0.04 -0.34 0.94 0.18 0.00 0.00 0.00 175.10 175.84 1qez n LEU 4042N 5.75 0.37 0.10 3.92 4.77 -0.78 -4.80 117.00 126.34 1qez n LEU 4042Ca -0.06 0.85 0.12 0.00 -0.03 0.00 0.00 56.01 56.89 1qez n LEU 4042Cb 0.48 -0.65 0.46 0.00 -2.33 0.00 0.00 43.42 41.38 1qez n LEU 4042CO 0.46 -1.04 0.86 -1.22 -1.33 0.00 0.00 177.39 175.12 1qez n TYR 4043N 1.86 0.74 -4.04 -1.77 4.02 -1.26 -4.76 117.16 111.94 1qez n TYR 4043Ca 0.18 0.26 -0.22 0.00 -0.01 0.00 0.00 57.90 58.11 1qez n TYR 4043Cb 0.01 -0.92 -0.04 0.00 -0.02 0.00 0.00 39.34 38.37 1qez n TYR 4043CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1qez s THR 4044N -3.21 4.36 -1.43 -0.72 -4.23 -1.26 -4.97 115.64 104.19 1qez s THR 4044Ca 0.07 -1.36 -0.08 0.00 -1.18 0.00 0.00 61.69 59.15 1qez s THR 4044Cb 0.11 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1qez s THR 4044CO 0.45 -0.32 2.72 -0.24 -0.54 0.00 0.00 174.62 176.69 1qez n SER 4045N -1.24 8.34 -4.41 3.99 2.88 -1.26 -4.88 113.62 117.04 1qez n SER 4045Ca -0.07 -2.84 -0.24 0.00 -1.33 0.00 0.00 58.87 54.39 1qez n SER 4045Cb 0.58 -1.46 -0.10 0.00 -0.75 0.00 0.00 64.21 62.48 1qez n SER 4045CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1qez s MET 4046N 0.56 1.80 -0.05 -1.46 -1.94 -1.26 -5.17 119.30 111.78 1qez s MET 4046Ca 0.63 -2.04 -0.17 0.00 -1.71 0.00 0.00 55.69 52.39 1qez s MET 4046Cb 0.19 -0.92 0.03 0.00 2.01 0.00 0.00 34.83 36.14 1qez s MET 4046CO -0.08 -0.27 0.38 0.54 -0.01 0.00 0.00 175.02 175.59 1qez s ASN 4047N -3.57 -0.31 -0.12 3.03 4.22 -1.26 -4.60 114.94 112.33 1qez s ASN 4047Ca 0.30 0.34 -0.33 0.00 -2.14 0.00 0.00 52.86 51.04 1qez s ASN 4047Cb 0.07 0.46 -0.11 0.00 1.28 0.00 0.00 41.25 42.95 1qez s ASN 4047CO 0.14 -0.40 1.96 -1.22 -2.04 0.00 0.00 177.10 175.55 1qez n TYR 4048N 1.59 2.24 0.81 1.54 4.02 0.08 -4.81 117.16 122.63 1qez n TYR 4048Ca -0.19 -0.04 -0.01 0.00 -0.01 0.00 0.00 57.90 57.65 1qez n TYR 4048Cb 0.56 -2.68 0.03 0.00 -0.02 0.00 0.00 39.34 37.24 1qez n TYR 4048CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1qez n PRO 4049N 7.15 1.27 -3.62 -0.72 -0.04 -1.26 -0.38 135.00 137.40 1qez n PRO 4049Ca 0.25 -0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.39 1qez n PRO 4049Cb 0.32 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1qez n PRO 4049CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1qez s PHE 4050N -0.81 -0.12 0.04 0.54 -0.12 -1.26 -4.92 117.98 111.33 1qez s PHE 4050Ca 0.05 0.00 -0.27 0.00 -0.05 0.00 0.00 56.93 56.66 1qez s PHE 4050Cb 0.04 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 1qez s PHE 4050CO 0.01 -0.36 0.85 -0.80 -0.05 0.00 0.00 175.22 174.88 1qez s ASN 4051N -2.65 7.29 -0.02 1.98 0.01 -0.32 -3.89 114.94 117.35 1qez s ASN 4051Ca 0.11 1.55 0.05 0.00 -0.71 0.00 0.00 52.86 53.86 1qez s ASN 4051Cb 0.01 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 1qez s ASN 4051CO -0.04 -0.08 -0.15 -0.47 -1.51 0.00 0.00 177.10 174.85 1qez s TYR 4052N 0.28 2.67 0.00 2.20 6.14 -0.14 -0.36 117.35 128.13 1qez s TYR 4052Ca 0.43 -0.18 0.00 0.00 0.64 0.00 0.00 57.07 57.96 1qez s TYR 4052Cb -0.21 -1.58 0.00 0.00 0.42 0.00 0.00 41.96 40.59 1qez s TYR 4052CO 0.25 0.21 0.00 0.41 0.64 0.00 0.00 175.55 177.06 1qez n GLY 4053N 2.05 1.21 3.11 8.97 0.00 -1.00 -0.06 105.19 119.47 1qez n GLY 4053Ca -0.17 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 1qez n GLY 4053CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qez s PHE 4054N -4.09 0.69 -0.41 1.61 -0.12 -1.12 -0.59 117.98 113.94 1qez s PHE 4054Ca 0.00 -0.88 -0.24 0.00 -0.05 0.00 0.00 56.93 55.76 1qez s PHE 4054Cb 0.00 -0.43 0.02 0.00 -0.63 0.00 0.00 43.02 41.98 1qez s PHE 4054CO 0.00 -0.22 0.86 0.42 -0.05 0.00 0.00 175.22 176.23 1qez s ILE 4055N -3.23 4.60 0.59 -4.49 1.01 -0.33 -1.83 121.20 117.51 1qez s ILE 4055Ca 0.05 0.82 -0.20 0.00 0.00 0.00 0.00 60.65 61.32 1qez s ILE 4055Cb 0.03 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1qez s ILE 4055CO -0.05 -0.64 1.28 -2.16 0.00 0.00 0.00 174.94 173.36 1qez s PRO 4056N 3.43 2.92 -0.33 2.79 0.04 -1.26 -3.35 135.00 139.23 1qez s PRO 4056Ca 0.34 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1qez s PRO 4056Cb -0.12 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1qez s PRO 4056CO 0.22 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1qez n GLY 4057N 0.70 0.32 3.18 0.56 0.00 -1.26 -2.70 105.19 105.99 1qez n GLY 4057Ca 0.13 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 1qez n GLY 4057CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qez s THR 4058N -2.17 1.01 -0.04 2.61 -4.23 -1.21 -4.59 115.64 107.01 1qez s THR 4058Ca 0.00 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1qez s THR 4058Cb 0.00 -1.27 0.03 0.00 1.34 0.00 0.00 72.50 72.60 1qez s THR 4058CO 0.00 -0.45 0.09 -0.22 -0.54 0.00 0.00 174.62 173.50 1qez s LEU 4059N -2.24 0.92 0.42 4.79 2.96 0.14 -3.92 118.68 121.75 1qez s LEU 4059Ca 0.03 0.18 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 1qez s LEU 4059Cb -0.05 0.18 -0.00 0.00 0.50 0.00 0.00 46.19 46.82 1qez s LEU 4059CO 0.01 -0.13 0.50 -1.61 -1.32 0.00 0.00 176.35 173.79 1qez s GLU 4060N 1.07 2.70 0.66 1.98 0.41 0.18 -4.35 118.70 121.34 1qez s GLU 4060Ca -0.09 -1.37 0.41 0.00 -0.41 0.00 0.00 54.97 53.51 1qez s GLU 4060Cb -0.11 -2.60 2.26 0.00 -1.78 0.00 0.00 34.13 31.89 1qez s GLU 4060CO -0.04 -0.25 2.31 0.93 -0.49 0.00 0.00 175.26 177.72 1qez h GLU 4061N 0.79 0.00 -0.22 1.61 5.08 -2.00 -0.22 114.58 119.62 1qez h GLU 4061Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1qez h GLU 4061Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1qez h GLU 4061CO 0.50 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.11 1qez n ASP 4062N -3.20 1.23 0.00 1.42 5.68 -1.26 -4.89 116.55 115.53 1qez n ASP 4062Ca -0.03 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 1qez n ASP 4062Cb 0.11 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1qez n ASP 4062CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qez n GLY 4063N 0.89 0.94 3.67 6.12 0.00 -0.09 -5.01 105.19 111.70 1qez n GLY 4063Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1qez n GLY 4063CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qez s ASP 4064N -2.90 4.74 0.91 1.61 1.01 -1.26 -4.81 116.67 115.97 1qez s ASP 4064Ca 0.00 -0.48 -0.11 0.00 0.71 0.00 0.00 52.55 52.66 1qez s ASP 4064Cb 0.00 -0.98 0.14 0.00 1.01 0.00 0.00 42.92 43.09 1qez s ASP 4064CO 0.00 0.04 1.09 -2.84 0.21 0.00 0.00 175.17 173.68 1qez s PRO 4065N -3.30 1.10 0.02 8.23 0.02 -1.25 -0.65 135.00 139.17 1qez s PRO 4065Ca 0.29 1.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.05 1qez s PRO 4065Cb -0.08 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 1qez s PRO 4065CO 0.20 -2.41 1.12 -1.17 -0.33 0.00 0.00 177.00 174.41 1qez s LEU 4066N -6.38 4.36 0.52 -5.54 2.96 -1.26 -4.74 118.68 108.60 1qez s LEU 4066Ca 0.64 1.87 -0.13 0.00 -0.22 0.00 0.00 54.13 56.29 1qez s LEU 4066Cb -0.20 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 1qez s LEU 4066CO 0.58 -0.41 0.95 -1.81 -1.32 0.00 0.00 176.35 174.33 1qez s ASP 4067N 1.09 6.46 -0.01 3.68 1.01 -1.26 -1.19 116.67 126.45 1qez s ASP 4067Ca 0.56 1.40 0.00 0.00 0.71 0.00 0.00 52.55 55.22 1qez s ASP 4067Cb -0.26 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.23 1qez s ASP 4067CO 0.28 -0.64 0.00 -0.69 0.21 0.00 0.00 175.17 174.34 1qez s VAL 4068N -2.75 0.02 -0.56 -1.27 1.01 0.24 -1.28 120.40 115.80 1qez s VAL 4068Ca 0.56 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.47 1qez s VAL 4068Cb -0.10 -0.05 0.14 0.00 0.00 0.00 0.00 36.38 36.37 1qez s VAL 4068CO 0.39 0.03 0.46 -0.76 0.00 0.00 0.00 175.10 175.22 1qez s LEU 4069N 0.27 5.95 -0.29 3.92 1.02 0.76 -2.37 118.68 127.93 1qez s LEU 4069Ca -0.02 -2.12 -0.27 0.00 0.02 0.00 0.00 54.13 51.74 1qez s LEU 4069Cb -0.04 -2.07 0.01 0.00 0.02 0.00 0.00 46.19 44.11 1qez s LEU 4069CO -0.01 -0.68 0.95 -0.69 0.02 0.00 0.00 176.35 175.94 1qez s VAL 4070N 1.06 4.67 -0.28 -1.59 1.01 0.51 -1.73 120.40 124.04 1qez s VAL 4070Ca 0.08 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.51 1qez s VAL 4070Cb -0.24 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1qez s VAL 4070CO -0.02 -0.30 0.36 -0.63 0.00 0.00 0.00 175.10 174.51 1qez s ILE 4071N 3.25 5.18 0.34 2.22 1.01 0.27 -1.18 121.20 132.30 1qez s ILE 4071Ca 0.40 0.45 -0.05 0.00 0.00 0.00 0.00 60.65 61.45 1qez s ILE 4071Cb -0.14 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1qez s ILE 4071CO 0.12 0.11 0.51 0.42 0.00 0.00 0.00 174.94 176.10 1qez s THR 4072N 2.05 0.00 -0.32 2.92 -4.23 -1.26 -4.33 115.64 110.48 1qez s THR 4072Ca 0.14 -1.52 0.07 0.00 -1.18 0.00 0.00 61.69 59.20 1qez s THR 4072Cb -0.16 -2.64 0.46 0.00 1.34 0.00 0.00 72.50 71.50 1qez s THR 4072CO 0.10 0.00 1.33 -0.46 -0.54 0.00 0.00 174.62 175.05 1qez n ASN 4073N -1.34 4.28 -3.47 3.99 0.23 -1.26 -4.96 115.26 112.73 1qez n ASN 4073Ca -0.00 -3.79 -0.12 0.00 -0.53 0.00 0.00 54.58 50.14 1qez n ASN 4073Cb 0.61 -0.49 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 1qez n ASN 4073CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1qez s TYR 4074N -3.51 -0.47 0.10 -2.53 -0.85 -1.26 -5.17 117.35 103.66 1qez s TYR 4074Ca 0.49 0.24 0.01 0.00 -0.52 0.00 0.00 57.07 57.29 1qez s TYR 4074Cb 0.41 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 43.21 1qez s TYR 4074CO 0.01 -0.82 0.25 1.14 -1.52 0.00 0.00 175.55 174.61 1qez s GLN 4075N -3.76 3.45 0.26 -3.49 -2.07 -1.26 -4.72 119.66 108.07 1qez s GLN 4075Ca 0.01 -0.48 0.10 0.00 -1.82 0.00 0.00 55.36 53.17 1qez s GLN 4075Cb -0.00 -3.00 -0.04 0.00 -1.09 0.00 0.00 33.01 28.88 1qez s GLN 4075CO -0.13 0.56 -0.03 -0.51 -1.32 0.00 0.00 175.29 173.86 1qez s LEU 4076N -2.81 3.12 0.13 2.60 1.43 -1.26 -4.97 118.68 116.92 1qez s LEU 4076Ca 0.35 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 1qez s LEU 4076Cb -0.12 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 1qez s LEU 4076CO 0.28 0.02 0.95 -0.31 0.23 0.00 0.00 176.35 177.52 1qez s TYR 4077N -2.26 3.84 0.22 0.29 1.51 -1.26 -4.38 117.35 115.31 1qez s TYR 4077Ca 0.30 1.82 -0.32 0.00 -1.01 0.00 0.00 57.07 57.87 1qez s TYR 4077Cb -0.07 -3.04 -0.14 0.00 -0.11 0.00 0.00 41.96 38.61 1qez s TYR 4077CO 0.19 0.25 1.36 -2.30 -1.11 0.00 0.00 175.55 173.95 1qez n PRO 4078N 2.56 1.86 -0.52 -1.71 -0.02 -1.26 -1.40 135.00 134.51 1qez n PRO 4078Ca 0.01 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1qez n PRO 4078Cb 0.49 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1qez n PRO 4078CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qez n GLY 4079N 2.18 0.76 3.92 -1.23 0.00 0.29 -4.99 105.19 106.12 1qez n GLY 4079Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1qez n GLY 4079CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qez s SER 4080N -2.96 6.39 -0.10 1.61 1.04 -0.49 -4.82 113.70 114.36 1qez s SER 4080Ca 0.00 0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.86 1qez s SER 4080Cb 0.00 -2.03 -0.03 0.00 0.10 0.00 0.00 66.02 64.06 1qez s SER 4080CO 0.00 -0.08 -0.03 -0.69 0.98 0.00 0.00 173.24 173.42 1qez s VAL 4081N -1.93 4.00 0.05 5.02 1.01 -1.26 -0.23 120.40 127.06 1qez s VAL 4081Ca 0.39 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1qez s VAL 4081Cb -0.11 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1qez s VAL 4081CO 0.29 0.56 -0.13 -0.51 0.00 0.00 0.00 175.10 175.32 1qez s ILE 4082N -0.43 1.03 -0.26 2.22 2.07 -0.28 -4.94 121.20 120.61 1qez s ILE 4082Ca 0.07 -1.08 -0.16 0.00 -1.41 0.00 0.00 60.65 58.07 1qez s ILE 4082Cb -0.12 -0.96 -0.03 0.00 0.13 0.00 0.00 42.46 41.47 1qez s ILE 4082CO 0.02 -0.11 0.43 -1.61 -1.91 0.00 0.00 174.94 171.76 1qez s GLU 4083N -1.35 4.05 0.38 3.50 2.02 -1.26 -1.01 118.70 125.03 1qez s GLU 4083Ca -0.01 0.16 0.08 0.00 0.02 0.00 0.00 54.97 55.23 1qez s GLU 4083Cb -0.09 -3.64 -0.06 0.00 0.10 0.00 0.00 34.13 30.44 1qez s GLU 4083CO 0.01 -0.28 0.03 0.14 0.02 0.00 0.00 175.26 175.18 1qez s VAL 4084N 2.08 2.30 -0.24 2.63 -7.23 -0.25 -0.67 120.40 119.03 1qez s VAL 4084Ca 0.18 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.36 1qez s VAL 4084Cb -0.16 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.93 1qez s VAL 4084CO 0.09 -0.10 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.59 1qez s ARG 4085N -3.73 2.93 0.24 4.82 0.52 0.84 -1.55 118.95 123.03 1qez s ARG 4085Ca 0.36 -0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 1qez s ARG 4085Cb 0.04 -2.97 -0.09 0.00 0.52 0.00 0.00 34.95 32.44 1qez s ARG 4085CO 0.19 -0.36 1.35 -2.14 0.02 0.00 0.00 175.30 174.36 1qez s PRO 4086N 1.35 4.35 0.00 3.54 0.02 -1.26 -2.18 135.00 140.82 1qez s PRO 4086Ca 0.01 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1qez s PRO 4086Cb -0.16 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1qez s PRO 4086CO -0.05 -0.28 0.24 0.44 -0.33 0.00 0.00 177.00 177.02 1qez n ILE 4087N 2.22 0.00 -2.22 2.83 -5.35 0.69 -4.85 119.36 112.67 1qez n ILE 4087Ca 0.05 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1qez n ILE 4087Cb 0.42 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 1qez n ILE 4087CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qez n GLY 4088N 0.41 -1.23 3.19 3.28 0.00 -0.95 -0.27 105.19 109.62 1qez n GLY 4088Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1qez n GLY 4088CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qez s ILE 4089N -2.73 0.04 -0.17 -0.61 2.07 -0.99 -1.20 121.20 117.62 1qez s ILE 4089Ca 0.00 -0.34 0.00 0.00 -1.41 0.00 0.00 60.65 58.90 1qez s ILE 4089Cb 0.00 -0.50 0.01 0.00 0.13 0.00 0.00 42.46 42.09 1qez s ILE 4089CO 0.00 -0.19 -0.17 -0.22 -1.91 0.00 0.00 174.94 172.45 1qez s LEU 4090N -0.79 2.34 -0.15 8.50 2.96 0.54 -0.23 118.68 131.85 1qez s LEU 4090Ca -0.09 -0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 53.17 1qez s LEU 4090Cb -0.04 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 1qez s LEU 4090CO 0.02 0.04 0.20 -0.31 -1.32 0.00 0.00 176.35 174.98 1qez s TYR 4091N 1.06 3.51 0.24 5.38 2.02 0.34 -1.06 117.35 128.84 1qez s TYR 4091Ca -0.01 0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 57.06 1qez s TYR 4091Cb -0.14 -2.15 0.01 0.00 -0.40 0.00 0.00 41.96 39.27 1qez s TYR 4091CO -0.05 0.44 0.51 0.00 -1.57 0.00 0.00 175.55 174.88 1qez s MET 4092N -0.16 1.52 -0.02 -0.62 0.23 0.32 0.53 119.30 121.09 1qez s MET 4092Ca 0.14 -1.13 0.01 0.00 -1.03 0.00 0.00 55.69 53.68 1qez s MET 4092Cb -0.12 0.50 0.02 0.00 -1.53 0.00 0.00 34.83 33.69 1qez s MET 4092CO 0.03 -0.64 -0.02 0.21 -2.03 0.00 0.00 175.02 172.56 1qez s LYS 4093N -3.97 0.38 0.08 3.16 2.36 -0.08 -0.36 119.74 121.30 1qez s LYS 4093Ca 0.18 -0.03 0.00 0.00 -2.55 0.00 0.00 55.97 53.57 1qez s LYS 4093Cb -0.01 -0.47 -0.00 0.00 -1.05 0.00 0.00 37.83 36.30 1qez s LYS 4093CO 0.06 -0.05 0.01 -0.40 1.55 0.00 0.00 175.35 176.52 1qez n ASP 4094N 3.71 1.59 0.27 1.43 5.68 0.36 -0.46 116.55 129.13 1qez n ASP 4094Ca -0.22 -1.37 0.18 0.00 -0.50 0.00 0.00 54.79 52.88 1qez n ASP 4094Cb 0.53 0.12 0.93 0.00 -1.14 0.00 0.00 41.12 41.57 1qez n ASP 4094CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1qez h GLU 4095N 0.00 0.00 0.00 0.11 9.09 -1.83 -1.02 114.58 120.93 1qez h GLU 4095Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1qez h GLU 4095Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1qez h GLU 4095CO 0.10 0.00 -0.89 0.93 0.05 0.00 0.00 179.01 179.20 1qez h GLU 4096N 0.00 0.00 0.00 1.06 4.39 -1.95 -3.51 114.58 114.57 1qez h GLU 4096Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1qez h GLU 4096Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1qez h GLU 4096CO -0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1qez n GLY 4097N 1.19 0.42 3.83 -3.84 0.00 -0.39 -5.09 105.19 101.31 1qez n GLY 4097Ca 0.01 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1qez n GLY 4097CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qez s GLU 4098N -1.38 4.15 -0.05 1.61 2.12 -1.26 -0.49 118.70 123.40 1qez s GLU 4098Ca 0.00 1.05 -0.31 0.00 0.36 0.00 0.00 54.97 56.08 1qez s GLU 4098Cb 0.00 -2.19 0.07 0.00 0.26 0.00 0.00 34.13 32.27 1qez s GLU 4098CO 0.00 -0.07 0.69 0.34 -0.54 0.00 0.00 175.26 175.68 1qez s ASP 4099N -2.38 -0.66 -0.01 -1.70 -1.08 0.51 -4.90 116.67 106.46 1qez s ASP 4099Ca 0.61 0.72 0.01 0.00 -0.52 0.00 0.00 52.55 53.38 1qez s ASP 4099Cb -0.09 0.55 -0.00 0.00 -1.46 0.00 0.00 42.92 41.91 1qez s ASP 4099CO 0.17 -0.60 -0.04 0.00 0.52 0.00 0.00 175.17 175.22 1qez s ALA 4100N -1.17 0.36 -0.08 3.66 0.00 -1.26 -0.52 121.76 122.75 1qez s ALA 4100Ca -0.11 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1qez s ALA 4100Cb -0.00 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1qez s ALA 4100CO 0.10 0.08 -0.09 0.15 0.00 0.00 0.00 175.76 176.00 1qez s LYS 4101N -0.03 1.46 0.42 0.00 1.02 -0.22 -4.55 119.74 117.84 1qez s LYS 4101Ca 0.01 -0.29 -0.25 0.00 0.02 0.00 0.00 55.97 55.46 1qez s LYS 4101Cb -0.02 -1.34 -0.08 0.00 -0.52 0.00 0.00 37.83 35.87 1qez s LYS 4101CO -0.00 -0.09 1.20 0.42 -0.92 0.00 0.00 175.35 175.96 1qez s ILE 4102N 1.05 3.02 -0.14 2.17 -1.09 -0.41 -0.33 121.20 125.46 1qez s ILE 4102Ca -0.08 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 1qez s ILE 4102Cb -0.14 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1qez s ILE 4102CO -0.01 0.06 -0.14 -0.69 -1.23 0.00 0.00 174.94 172.93 1qez s VAL 4103N -1.42 2.81 0.13 2.92 1.01 -0.34 -0.17 120.40 125.34 1qez s VAL 4103Ca 0.59 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1qez s VAL 4103Cb -0.32 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1qez s VAL 4103CO 0.39 0.52 0.15 0.00 0.00 0.00 0.00 175.10 176.16 1qez s ALA 4104N 0.64 0.39 0.25 5.51 0.00 -0.71 -0.22 121.76 127.63 1qez s ALA 4104Ca -0.08 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.82 1qez s ALA 4104Cb -0.16 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 1qez s ALA 4104CO 0.03 -0.55 -0.13 0.14 0.00 0.00 0.00 175.76 175.25 1qez s VAL 4105N -3.99 1.91 0.58 0.00 -7.23 -0.93 -0.56 120.40 110.18 1qez s VAL 4105Ca 0.18 -2.23 -0.20 0.00 -1.81 0.00 0.00 61.98 57.92 1qez s VAL 4105Cb 0.06 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1qez s VAL 4105CO -0.01 -0.44 1.32 -2.84 -0.31 0.00 0.00 175.10 172.82 1qez s PRO 4106N -3.64 2.95 0.59 4.82 0.02 -1.26 -0.11 135.00 138.37 1qez s PRO 4106Ca 0.27 2.13 -0.20 0.00 0.02 0.00 0.00 61.00 63.22 1qez s PRO 4106Cb -0.00 -2.10 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 1qez s PRO 4106CO 0.11 -1.31 1.31 -1.59 -0.33 0.00 0.00 177.00 175.19 1qez s LYS 4107N -3.09 2.90 0.29 5.54 -2.85 0.16 -4.53 119.74 118.16 1qez s LYS 4107Ca 0.76 2.11 0.01 0.00 -1.00 0.00 0.00 55.97 57.85 1qez s LYS 4107Cb -0.38 -2.06 0.70 0.00 -2.06 0.00 0.00 37.83 34.03 1qez s LYS 4107CO 0.43 -1.34 1.62 -0.44 0.10 0.00 0.00 175.35 175.72 1qez h ASP 4108N 1.04 -0.17 0.34 0.03 5.19 -1.91 0.04 116.42 120.98 1qez h ASP 4108Ca -0.51 0.22 -0.07 0.00 -0.62 0.00 0.00 57.03 56.05 1qez h ASP 4108Cb 1.31 0.34 -0.01 0.00 0.18 0.00 0.00 39.33 41.15 1qez h ASP 4108CO 0.55 -0.22 -0.33 0.11 -3.12 0.00 0.00 179.24 176.23 1qez h LYS 4109N 0.13 0.00 0.01 3.56 1.57 -1.98 -1.30 116.57 118.56 1qez h LYS 4109Ca 0.55 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 59.07 1qez h LYS 4109Cb 1.12 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.45 1qez h LYS 4109CO -0.73 0.33 -1.04 1.15 -0.57 0.00 0.00 179.45 178.59 1qez h THR 4110N 0.00 1.30 -1.37 -0.16 2.02 -1.35 -3.42 112.91 109.92 1qez h THR 4110Ca -0.00 -2.29 -0.18 0.00 0.77 0.00 0.00 66.41 64.71 1qez h THR 4110Cb 0.59 2.40 -0.24 0.00 -1.74 0.00 0.00 68.15 69.16 1qez h THR 4110CO 0.04 0.70 -0.54 -0.62 0.37 0.00 0.00 175.52 175.48 1qez s ASP 4111N -7.27 -0.48 0.00 4.18 -1.08 -0.81 -5.01 116.67 106.20 1qez s ASP 4111Ca -0.09 -1.06 0.04 0.00 -0.52 0.00 0.00 52.55 50.92 1qez s ASP 4111Cb 0.07 1.42 0.25 0.00 -1.46 0.00 0.00 42.92 43.20 1qez s ASP 4111CO 0.91 -0.21 0.82 -0.81 0.52 0.00 0.00 175.17 176.40 1qez n PRO 4112N 4.39 0.11 -0.02 4.34 -0.04 -0.51 -2.64 135.00 140.63 1qez n PRO 4112Ca 0.11 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 1qez n PRO 4112Cb 0.52 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.10 1qez n PRO 4112CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1qez n SER 4113N -1.10 0.92 -0.34 3.54 3.41 -1.26 -3.12 113.62 115.66 1qez n SER 4113Ca 0.03 -1.39 0.04 0.00 -0.26 0.00 0.00 58.87 57.29 1qez n SER 4113Cb 0.02 -0.02 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 1qez n SER 4113CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qez n PHE 4114N -0.25 0.28 0.24 7.33 3.72 -1.08 -4.70 117.46 123.00 1qez n PHE 4114Ca 0.19 -0.62 0.08 0.00 -0.05 0.00 0.00 57.45 57.05 1qez n PHE 4114Cb 0.24 -0.09 0.60 0.00 -0.94 0.00 0.00 39.48 39.29 1qez n PHE 4114CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1qez h SER 4115N 0.91 0.00 0.63 4.37 0.02 -1.74 -2.49 113.55 115.26 1qez h SER 4115Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qez h SER 4115Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1qez h SER 4115CO 0.03 0.16 -0.08 -0.46 -1.14 0.00 0.00 176.83 175.34 1qez n ASN 4116N -4.03 0.18 -4.34 3.07 0.23 -1.26 -4.50 115.26 104.61 1qez n ASN 4116Ca -0.02 -0.08 -0.46 0.00 -0.53 0.00 0.00 54.58 53.49 1qez n ASN 4116Cb 0.24 -0.23 -0.04 0.00 -2.08 0.00 0.00 39.78 37.67 1qez n ASN 4116CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1qez s ILE 4117N -2.72 5.26 -0.08 1.53 -1.09 -0.94 -4.85 121.20 118.32 1qez s ILE 4117Ca 0.23 -1.80 0.18 0.00 -2.23 0.00 0.00 60.65 57.02 1qez s ILE 4117Cb 0.20 -4.46 -0.27 0.00 -1.58 0.00 0.00 42.46 36.35 1qez s ILE 4117CO 0.51 -1.04 0.42 0.29 -1.23 0.00 0.00 174.94 173.89 1qez n LYS 4118N 5.05 0.59 -3.94 2.79 5.02 -1.26 -4.98 118.16 121.44 1qez n LYS 4118Ca 0.01 -0.15 -0.09 0.00 -2.02 0.00 0.00 58.31 56.06 1qez n LYS 4118Cb 0.44 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1qez n LYS 4118CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1qez s ASP 4119N -3.96 0.15 0.54 4.39 2.15 -1.26 -4.70 116.67 113.97 1qez s ASP 4119Ca -0.06 -0.80 0.34 0.00 0.43 0.00 0.00 52.55 52.47 1qez s ASP 4119Cb 0.12 0.35 1.52 0.00 -0.30 0.00 0.00 42.92 44.61 1qez s ASP 4119CO 0.74 -0.77 1.85 -0.29 -0.17 0.00 0.00 175.17 176.53 1qez h ILE 4120N 2.74 0.47 0.00 4.11 6.09 -0.93 0.36 117.51 130.35 1qez h ILE 4120Ca -0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1qez h ILE 4120Cb 1.20 0.48 0.00 0.00 0.47 0.00 0.00 36.82 38.97 1qez h ILE 4120CO 0.55 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 176.22 1qez n ASN 4121N -4.21 0.00 0.05 2.19 3.02 -1.26 -2.74 115.26 112.31 1qez n ASN 4121Ca 0.22 -0.91 0.12 0.00 -0.03 0.00 0.00 54.58 53.98 1qez n ASN 4121Cb 1.11 -0.03 0.22 0.00 -0.61 0.00 0.00 39.78 40.47 1qez n ASN 4121CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qez n ASP 4122N -1.03 0.64 -4.75 6.41 8.00 0.13 -4.86 116.55 121.08 1qez n ASP 4122Ca 0.23 0.10 -0.40 0.00 0.71 0.00 0.00 54.79 55.43 1qez n ASP 4122Cb 0.12 0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 1qez n ASP 4122CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qez s LEU 4123N -3.96 4.58 0.52 0.64 1.43 -1.11 -4.94 118.68 115.84 1qez s LEU 4123Ca 0.08 1.78 -0.22 0.00 -1.03 0.00 0.00 54.13 54.73 1qez s LEU 4123Cb 0.14 -3.48 -0.06 0.00 0.03 0.00 0.00 46.19 42.82 1qez s LEU 4123CO 0.70 0.10 1.27 -2.65 0.23 0.00 0.00 176.35 176.00 1qez n PRO 4124N 1.96 1.62 -0.33 1.29 -0.02 -1.26 -4.84 135.00 133.42 1qez n PRO 4124Ca -0.02 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 1qez n PRO 4124Cb 0.48 -2.45 0.20 0.00 -0.02 0.00 0.00 33.50 31.71 1qez n PRO 4124CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1qez h GLN 4125N 1.46 0.89 -0.95 -0.52 5.75 -1.95 -1.63 115.11 118.16 1qez h GLN 4125Ca -0.50 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.03 1qez h GLN 4125Cb 1.31 -0.20 -0.07 0.00 1.07 0.00 0.00 27.48 29.59 1qez h GLN 4125CO 0.57 0.59 0.60 0.00 -2.65 0.00 0.00 178.83 177.94 1qez h ALA 4126N 1.49 1.34 -0.55 3.38 0.00 -1.99 -0.51 119.26 122.42 1qez h ALA 4126Ca 0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1qez h ALA 4126Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1qez h ALA 4126CO -0.25 0.33 -0.06 1.15 0.00 0.00 0.00 179.25 180.42 1qez h THR 4127N 1.06 1.26 -0.36 0.00 2.02 -1.66 -1.54 112.91 113.69 1qez h THR 4127Ca 0.42 -1.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.33 1qez h THR 4127Cb 0.24 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1qez h THR 4127CO -0.19 0.43 -0.04 0.11 0.37 0.00 0.00 175.52 176.19 1qez h LYS 4128N 0.90 0.67 -0.89 6.66 1.57 -1.02 -2.02 116.57 122.43 1qez h LYS 4128Ca 0.15 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1qez h LYS 4128Cb 0.61 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1qez h LYS 4128CO 0.04 0.80 0.53 -0.91 -0.57 0.00 0.00 179.45 179.35 1qez h ASN 4129N 0.47 1.07 -0.14 0.86 2.35 -1.01 -0.59 115.58 118.59 1qez h ASN 4129Ca 0.10 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1qez h ASN 4129Cb 0.53 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1qez h ASN 4129CO 0.03 0.82 0.07 0.50 -1.65 0.00 0.00 177.43 177.20 1qez h LYS 4130N 1.22 0.19 -0.34 0.81 3.64 -1.11 0.18 116.57 121.17 1qez h LYS 4130Ca 0.32 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1qez h LYS 4130Cb -0.05 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1qez h LYS 4130CO -0.06 0.22 0.18 0.82 -2.27 0.00 0.00 179.45 178.33 1qez h ILE 4131N 0.12 1.15 -0.10 2.00 2.04 -1.07 -0.16 117.51 121.49 1qez h ILE 4131Ca 0.05 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1qez h ILE 4131Cb 0.08 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1qez h ILE 4131CO -0.01 0.15 0.06 0.58 0.00 0.00 0.00 178.15 178.93 1qez h VAL 4132N 0.42 1.07 -0.95 1.67 2.07 -0.99 -2.34 116.25 117.20 1qez h VAL 4132Ca 0.12 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1qez h VAL 4132Cb 0.08 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1qez h VAL 4132CO -0.02 0.06 0.62 -0.74 0.02 0.00 0.00 177.57 177.51 1qez h HIS 4133N 0.08 1.13 0.47 1.57 -0.00 -0.80 -2.18 115.15 115.42 1qez h HIS 4133Ca 0.03 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1qez h HIS 4133Cb 0.05 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 1qez h HIS 4133CO -0.05 0.62 -0.33 0.35 -0.00 0.00 0.00 177.93 178.51 1qez h PHE 4134N 1.14 -0.89 -0.35 5.26 3.57 -0.59 -2.44 116.94 122.63 1qez h PHE 4134Ca 0.39 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.92 1qez h PHE 4134Cb 0.11 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1qez h PHE 4134CO -0.00 -0.50 0.23 0.74 -2.23 0.00 0.00 178.31 176.55 1qez h PHE 4135N -0.79 0.34 -0.00 0.41 0.04 -1.14 -0.74 116.94 115.06 1qez h PHE 4135Ca -0.05 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1qez h PHE 4135Cb 0.66 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1qez h PHE 4135CO -0.13 0.20 -0.05 0.39 -0.60 0.00 0.00 178.31 178.11 1qez n GLU 4136N -4.49 0.61 0.00 1.51 1.02 -0.84 -4.29 120.64 114.16 1qez n GLU 4136Ca 0.03 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1qez n GLU 4136Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1qez n GLU 4136CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1qez n HIS 4137N -1.09 0.00 0.30 -0.32 8.25 -0.79 -4.75 115.22 116.82 1qez n HIS 4137Ca 0.15 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.79 1qez n HIS 4137Cb 0.25 0.00 0.75 0.00 1.12 0.00 0.00 29.99 32.11 1qez n HIS 4137CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1qez h TYR 4138N 0.00 0.00 -0.01 4.41 -0.00 -1.35 -2.98 116.97 117.05 1qez h TYR 4138Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1qez h TYR 4138Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1qez h TYR 4138CO 0.00 0.00 -0.32 1.63 -0.00 0.00 0.00 178.16 179.47 1qez n LYS 4139N -3.00 1.88 -0.37 0.10 5.02 -1.26 -4.42 118.16 116.11 1qez n LYS 4139Ca 0.00 -0.68 -0.01 0.00 -2.02 0.00 0.00 58.31 55.60 1qez n LYS 4139Cb 0.26 -1.20 0.04 0.00 -0.02 0.00 0.00 35.03 34.10 1qez n LYS 4139CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1qez h GLU 4140N 1.43 -0.02 0.00 1.97 5.08 -1.78 0.31 114.58 121.57 1qez h GLU 4140Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qez h GLU 4140Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1qez h GLU 4140CO 0.00 -0.01 0.00 1.28 -1.00 0.00 0.00 179.01 179.28 1qez n LEU 4141N -5.47 0.00 -4.68 1.33 4.77 -1.26 -4.62 117.00 107.07 1qez n LEU 4141Ca 0.10 0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.95 1qez n LEU 4141Cb 0.40 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1qez n LEU 4141CO -0.12 -0.16 0.35 -1.61 -1.33 0.00 0.00 177.39 174.52 1qez s GLU 4142N -2.54 4.26 -0.19 3.23 2.02 0.11 -5.00 118.70 120.60 1qez s GLU 4142Ca 0.12 0.64 -0.35 0.00 0.02 0.00 0.00 54.97 55.39 1qez s GLU 4142Cb 0.08 -3.54 -0.12 0.00 0.10 0.00 0.00 34.13 30.65 1qez s GLU 4142CO 0.18 -0.14 1.94 -0.35 0.02 0.00 0.00 175.26 176.91 1qez n PRO 4143N 4.68 1.76 -0.99 0.39 -0.04 -1.26 -2.39 135.00 137.15 1qez n PRO 4143Ca -0.02 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1qez n PRO 4143Cb 0.50 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1qez n PRO 4143CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qez n GLY 4144N 4.88 0.62 3.75 0.55 0.00 -1.26 -5.03 105.19 108.69 1qez n GLY 4144Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 1qez n GLY 4144CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qez s LYS 4145N -0.14 2.75 -0.04 1.61 -0.14 -1.01 -4.82 119.74 117.97 1qez s LYS 4145Ca 0.00 -0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 53.52 1qez s LYS 4145Cb 0.00 -2.63 0.11 0.00 -1.68 0.00 0.00 37.83 33.62 1qez s LYS 4145CO 0.00 0.54 0.93 1.52 -0.76 0.00 0.00 175.35 177.57 1qez s TYR 4146N -1.45 -0.33 -0.07 3.18 1.13 -1.26 -4.63 117.35 113.92 1qez s TYR 4146Ca 0.28 0.23 -0.06 0.00 -1.41 0.00 0.00 57.07 56.12 1qez s TYR 4146Cb -0.11 0.53 0.02 0.00 -1.10 0.00 0.00 41.96 41.30 1qez s TYR 4146CO 0.21 -0.49 0.17 0.08 -2.51 0.00 0.00 175.55 173.01 1qez s VAL 4147N -2.89 -0.01 -0.07 -3.49 1.01 -1.26 -2.74 120.40 110.95 1qez s VAL 4147Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1qez s VAL 4147Cb -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1qez s VAL 4147CO -0.08 0.01 -0.04 -1.59 0.00 0.00 0.00 175.10 173.41 1qez s LYS 4148N 0.30 0.93 -0.08 2.72 -2.85 0.39 -4.53 119.74 116.61 1qez s LYS 4148Ca -0.02 -0.06 -0.30 0.00 -1.00 0.00 0.00 55.97 54.59 1qez s LYS 4148Cb -0.03 -1.08 -0.02 0.00 -2.06 0.00 0.00 37.83 34.64 1qez s LYS 4148CO -0.01 -0.21 1.04 0.42 0.10 0.00 0.00 175.35 176.69 1qez s ILE 4149N 1.51 4.69 -0.12 3.79 -1.09 -1.26 -0.90 121.20 127.81 1qez s ILE 4149Ca -0.01 1.96 -0.15 0.00 -2.23 0.00 0.00 60.65 60.21 1qez s ILE 4149Cb -0.13 -4.26 -0.14 0.00 -1.58 0.00 0.00 42.46 36.35 1qez s ILE 4149CO -0.04 0.02 0.41 0.28 -1.23 0.00 0.00 174.94 174.38 1qez h SER 4150N 7.13 -0.00 0.00 3.58 0.02 -0.25 -3.48 113.55 120.54 1qez h SER 4150Ca -0.33 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 1qez h SER 4150Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1qez h SER 4150CO 0.85 0.76 0.00 0.61 -1.14 0.00 0.00 176.83 177.91 1qez n GLY 4151N 1.68 -1.53 3.84 -3.77 0.00 -1.07 -5.00 105.19 99.33 1qez n GLY 4151Ca -0.05 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 1qez n GLY 4151CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qez s TRP 4152N -2.48 3.13 0.16 1.61 0.52 -1.26 -0.50 118.94 120.11 1qez s TRP 4152Ca 0.00 -0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.08 1qez s TRP 4152Cb 0.00 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 1qez s TRP 4152CO 0.00 0.51 -0.13 0.20 0.02 0.00 0.00 176.95 177.55 1qez s GLY 4153N -3.86 1.21 0.83 0.98 0.00 0.68 -4.93 107.32 102.23 1qez s GLY 4153Ca 0.33 -1.48 -0.12 0.00 0.00 0.00 0.00 44.72 43.45 1qez s GLY 4153CO 0.25 -1.56 1.20 -1.35 0.00 0.00 0.00 173.10 171.64 1qez s SER 4154N -2.94 4.32 0.24 1.64 1.04 -1.26 -2.34 113.70 114.40 1qez s SER 4154Ca 0.16 0.71 -0.07 0.00 0.48 0.00 0.00 55.95 57.23 1qez s SER 4154Cb -0.02 -1.14 0.28 0.00 0.10 0.00 0.00 66.02 65.24 1qez s SER 4154CO 0.04 -2.01 1.88 0.00 0.98 0.00 0.00 173.24 174.12 1qez h ALA 4155N -1.13 1.16 -0.76 5.32 0.00 -1.86 -1.05 119.26 120.94 1qez h ALA 4155Ca -0.46 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1qez h ALA 4155Cb 1.32 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1qez h ALA 4155CO 0.62 0.41 0.50 1.15 0.00 0.00 0.00 179.25 181.93 1qez h THR 4156N 1.10 1.17 0.14 0.00 2.02 -1.92 0.11 112.91 115.54 1qez h THR 4156Ca 0.35 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qez h THR 4156Cb 0.02 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1qez h THR 4156CO -0.12 0.18 -0.09 -0.08 0.37 0.00 0.00 175.52 175.78 1qez h GLU 4157N 1.01 -0.22 -0.65 6.66 4.81 -1.75 -2.48 114.58 121.96 1qez h GLU 4157Ca 0.29 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.59 1qez h GLU 4157Cb -0.08 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 1qez h GLU 4157CO -0.08 -0.15 0.35 0.00 -0.73 0.00 0.00 179.01 178.41 1qez h ALA 4158N 0.63 0.87 -0.47 2.92 0.00 -0.56 -1.65 119.26 120.99 1qez h ALA 4158Ca -0.01 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1qez h ALA 4158Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1qez h ALA 4158CO 0.01 0.02 0.32 0.87 0.00 0.00 0.00 179.25 180.47 1qez h LYS 4159N 0.65 0.45 -0.06 0.00 6.56 -0.56 -1.95 116.57 121.67 1qez h LYS 4159Ca 0.29 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.83 1qez h LYS 4159Cb 0.20 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1qez h LYS 4159CO -0.19 0.30 -0.08 -0.91 -2.06 0.00 0.00 179.45 176.51 1qez h ASN 4160N 0.47 0.18 -0.87 0.86 4.21 -0.87 -2.10 115.58 117.47 1qez h ASN 4160Ca 0.20 -0.51 0.12 0.00 1.21 0.00 0.00 56.30 57.32 1qez h ASN 4160Cb 0.20 -0.05 -0.08 0.00 -1.12 0.00 0.00 38.32 37.26 1qez h ASN 4160CO -0.05 0.66 0.49 -0.09 -1.29 0.00 0.00 177.43 177.15 1qez h ARG 4161N -0.29 0.73 -0.55 0.81 9.65 -1.01 0.46 114.38 124.19 1qez h ARG 4161Ca 0.01 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 1qez h ARG 4161Cb 0.62 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 1qez h ARG 4161CO 0.02 0.49 -0.02 0.82 2.80 0.00 0.00 179.97 184.08 1qez h ILE 4162N 0.76 1.26 -0.12 1.20 2.04 -1.32 -1.17 117.51 120.15 1qez h ILE 4162Ca 0.45 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1qez h ILE 4162Cb 0.53 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1qez h ILE 4162CO -0.30 0.40 0.07 1.56 0.00 0.00 0.00 178.15 179.88 1qez h GLN 4163N 0.88 0.16 0.18 2.37 1.08 -0.24 -1.12 115.11 118.42 1qez h GLN 4163Ca 0.16 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1qez h GLN 4163Cb 0.54 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1qez h GLN 4163CO 0.03 0.14 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.89 1qez h LEU 4164N 0.13 -0.21 -1.54 1.46 3.38 -1.13 -0.63 115.31 116.78 1qez h LEU 4164Ca 0.04 -0.11 0.23 0.00 0.09 0.00 0.00 57.88 58.13 1qez h LEU 4164Cb 0.02 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1qez h LEU 4164CO -0.01 -0.02 0.62 0.00 0.09 0.00 0.00 178.44 179.13 1qez h ALA 4165N 0.40 2.29 0.06 1.53 0.00 -1.09 0.11 119.26 122.56 1qez h ALA 4165Ca -0.03 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1qez h ALA 4165Cb 0.30 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.11 1qez h ALA 4165CO 0.04 -0.60 -0.99 0.82 0.00 0.00 0.00 179.25 178.52 1qez h ILE 4166N 0.36 1.34 -0.62 0.00 2.04 -0.88 0.43 117.51 120.17 1qez h ILE 4166Ca 0.49 -2.32 0.03 0.00 1.00 0.00 0.00 64.86 64.07 1qez h ILE 4166Cb 1.32 2.65 -0.04 0.00 -0.74 0.00 0.00 36.82 40.00 1qez h ILE 4166CO -0.18 0.70 0.37 0.11 0.00 0.00 0.00 178.15 179.15 1qez h LYS 4167N 0.14 0.70 -0.92 2.37 1.57 0.70 0.79 116.57 121.93 1qez h LYS 4167Ca -0.14 -0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.75 1qez h LYS 4167Cb 1.68 -0.16 -0.10 0.00 0.08 0.00 0.00 32.23 33.74 1qez h LYS 4167CO 0.19 0.46 0.52 0.00 -0.57 0.00 0.00 179.45 180.05 1qez h ARG 4168N 0.72 0.71 0.12 3.15 3.08 -0.99 0.15 114.38 121.32 1qez h ARG 4168Ca 0.26 -0.04 -0.28 0.00 0.07 0.00 0.00 59.98 59.98 1qez h ARG 4168Cb 0.06 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1qez h ARG 4168CO -0.12 0.47 -1.35 0.28 -1.07 0.00 0.00 179.97 178.18 1qez h VAL 4169N 0.73 1.37 -2.14 2.04 2.07 -1.52 -3.34 116.25 115.46 1qez h VAL 4169Ca 0.50 -2.97 -0.74 0.00 0.82 0.00 0.00 66.70 64.31 1qez h VAL 4169Cb 0.68 2.87 -0.31 0.00 -1.52 0.00 0.00 31.29 33.01 1qez h VAL 4169CO -0.35 0.86 0.54 -1.20 0.02 0.00 0.00 177.57 177.44 1qez n SER 4170N -3.49 6.57 0.00 0.57 7.64 0.22 -5.12 113.62 120.01 1qez n SER 4170Ca -0.11 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.04 1qez n SER 4170Cb 1.03 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1qez n SER 4170CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64