#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uup h GLN 4002N 0.00 0.00 -6.95 -1.09 3.07 -2.08 -3.46 115.11 104.59 1uup h GLN 4002Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 58.65 58.28 1uup h GLN 4002Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 1uup h GLN 4002CO 0.00 0.41 0.34 -0.51 0.09 0.00 0.00 178.83 179.16 1uup s ASP 4003N -5.97 7.18 1.04 0.06 -0.00 -1.26 -4.98 116.67 112.74 1uup s ASP 4003Ca -0.04 1.78 -0.12 0.00 -0.00 0.00 0.00 52.55 54.17 1uup s ASP 4003Cb 0.08 -2.56 0.21 0.00 -0.00 0.00 0.00 42.92 40.65 1uup s ASP 4003CO 0.82 -0.19 1.07 -2.16 -0.00 0.00 0.00 175.17 174.71 1uup s PRO 4004N -2.50 0.10 0.17 8.23 0.04 -1.26 -5.08 135.00 134.69 1uup s PRO 4004Ca 0.55 0.81 0.06 0.00 0.04 0.00 0.00 61.00 62.46 1uup s PRO 4004Cb -0.15 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1uup s PRO 4004CO 0.20 -3.03 -0.12 0.16 0.04 0.00 0.00 177.00 174.25 1uup s ASP 4005N -2.99 2.06 0.16 6.66 1.47 -1.26 -5.02 116.67 117.75 1uup s ASP 4005Ca 0.66 -1.01 -0.11 0.00 1.18 0.00 0.00 52.55 53.27 1uup s ASP 4005Cb -0.21 -0.05 0.18 0.00 -0.34 0.00 0.00 42.92 42.49 1uup s ASP 4005CO 0.60 -0.27 1.06 -2.65 0.68 0.00 0.00 175.17 174.59 1uup n PRO 4006N -0.24 -0.15 0.06 2.11 -0.02 -1.26 0.13 135.00 135.63 1uup n PRO 4006Ca -0.10 1.05 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1uup n PRO 4006Cb 0.60 -1.56 0.31 0.00 -0.02 0.00 0.00 33.50 32.83 1uup n PRO 4006CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1uup h SER 4007N 0.00 0.35 -0.12 2.55 4.64 -2.03 -2.99 113.55 115.96 1uup h SER 4007Ca 0.24 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1uup h SER 4007Cb 0.42 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1uup h SER 4007CO -0.68 0.53 -0.13 1.56 -0.87 0.00 0.00 176.83 177.24 1uup h GLN 4008N 0.34 0.47 -6.79 4.77 4.20 -0.71 -3.45 115.11 113.94 1uup h GLN 4008Ca 0.06 -0.13 -0.49 0.00 0.06 0.00 0.00 58.65 58.15 1uup h GLN 4008Cb 0.47 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1uup h GLN 4008CO 0.03 0.60 0.39 -0.51 -0.67 0.00 0.00 178.83 178.67 1uup s LEU 4009N -8.84 4.57 0.32 1.46 1.43 -1.08 -4.96 118.68 111.58 1uup s LEU 4009Ca -0.07 2.04 -0.28 0.00 -1.03 0.00 0.00 54.13 54.80 1uup s LEU 4009Cb 0.15 -3.68 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 1uup s LEU 4009CO 0.77 0.01 1.11 -1.00 0.23 0.00 0.00 176.35 177.47 1uup s HIS 4010N -1.24 3.43 -0.21 0.29 3.76 -1.26 -5.01 115.29 115.04 1uup s HIS 4010Ca 0.44 1.66 -0.12 0.00 -0.15 0.00 0.00 55.06 56.88 1uup s HIS 4010Cb -0.27 -3.29 -0.05 0.00 1.11 0.00 0.00 32.58 30.09 1uup s HIS 4010CO 0.34 -0.73 0.24 1.03 -0.85 0.00 0.00 174.74 174.77 1uup s ARG 4011N -1.77 4.14 0.62 1.40 0.52 -1.26 -4.51 118.95 118.09 1uup s ARG 4011Ca 0.49 -0.08 0.39 0.00 -0.52 0.00 0.00 55.73 56.01 1uup s ARG 4011Cb -0.30 -3.51 2.03 0.00 0.52 0.00 0.00 34.95 33.70 1uup s ARG 4011CO 0.39 0.09 2.25 0.66 0.02 0.00 0.00 175.30 178.70 1uup h SER 4012N 7.24 0.00 0.33 0.23 4.64 -0.90 -2.19 113.55 122.90 1uup h SER 4012Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1uup h SER 4012Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1uup h SER 4012CO 0.70 0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 175.14 1uup n SER 4013N -3.23 0.00 -0.40 4.97 3.41 -1.26 -2.70 113.62 114.41 1uup n SER 4013Ca -0.02 -0.18 0.05 0.00 -0.26 0.00 0.00 58.87 58.47 1uup n SER 4013Cb 0.14 -0.23 0.04 0.00 -0.26 0.00 0.00 64.21 63.90 1uup n SER 4013CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1uup n LEU 4014N -1.23 1.79 -4.75 1.04 4.32 -0.82 -5.01 117.00 112.33 1uup n LEU 4014Ca 0.12 -0.97 -0.39 0.00 -0.02 0.00 0.00 56.01 54.75 1uup n LEU 4014Cb 0.16 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.90 1uup n LEU 4014CO 0.16 0.34 0.35 -0.69 -1.22 0.00 0.00 177.39 176.33 1uup s VAL 4015N -0.96 4.88 -0.19 4.08 1.01 -1.10 -4.49 120.40 123.64 1uup s VAL 4015Ca 0.12 1.37 -0.15 0.00 0.00 0.00 0.00 61.98 63.32 1uup s VAL 4015Cb 0.09 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1uup s VAL 4015CO 0.15 0.38 0.35 -0.54 0.00 0.00 0.00 175.10 175.44 1uup s LYS 4016N -0.04 4.20 -1.02 2.72 1.02 -0.73 -4.33 119.74 121.56 1uup s LYS 4016Ca 0.34 0.14 -0.04 0.00 0.02 0.00 0.00 55.97 56.42 1uup s LYS 4016Cb -0.19 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 1uup s LYS 4016CO 0.19 0.07 0.88 0.09 -0.92 0.00 0.00 175.35 175.66 1uup n ASN 4017N 4.11 -4.10 0.00 2.83 3.02 -1.26 -4.78 115.26 115.08 1uup n ASN 4017Ca -0.10 -0.45 0.04 0.00 -0.03 0.00 0.00 54.58 54.04 1uup n ASN 4017Cb 0.51 -4.10 0.22 0.00 -0.61 0.00 0.00 39.78 35.80 1uup n ASN 4017CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1uup n LEU 4018N -3.82 0.00 0.21 3.41 7.94 -1.26 -1.90 117.00 121.58 1uup n LEU 4018Ca -0.09 0.12 0.09 0.00 -1.11 0.00 0.00 56.01 55.02 1uup n LEU 4018Cb 0.58 -0.12 0.38 0.00 0.53 0.00 0.00 43.42 44.80 1uup n LEU 4018CO 0.50 -0.09 0.76 0.06 -1.11 0.00 0.00 177.39 177.51 1uup h GLN 4019N 0.00 0.00 -0.75 1.96 -0.00 -1.79 -2.86 115.11 111.67 1uup h GLN 4019Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.60 1uup h GLN 4019Cb 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.48 1uup h GLN 4019CO 0.00 0.25 0.27 -0.91 -0.00 0.00 0.00 178.83 178.44 1uup h ASN 4020N 0.00 1.05 -0.54 0.06 2.35 -1.74 0.23 115.58 116.99 1uup h ASN 4020Ca -0.00 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 1uup h ASN 4020Cb 0.85 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1uup h ASN 4020CO 0.03 0.95 -0.05 0.40 -1.65 0.00 0.00 177.43 177.11 1uup h ILE 4021N 1.09 1.26 -0.12 2.81 1.08 -1.72 -3.01 117.51 118.91 1uup h ILE 4021Ca 0.25 -1.19 0.03 0.00 -0.39 0.00 0.00 64.86 63.57 1uup h ILE 4021Cb 0.25 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 1uup h ILE 4021CO -0.02 0.42 -0.10 0.22 -0.69 0.00 0.00 178.15 177.99 1uup h TYR 4022N 0.91 -0.25 0.00 1.37 3.20 -1.09 -2.56 116.97 118.56 1uup h TYR 4022Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1uup h TYR 4022Cb 0.60 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1uup h TYR 4022CO 0.04 -0.16 -0.05 0.74 -1.64 0.00 0.00 178.16 177.10 1uup h PHE 4023N -0.12 0.00 -0.11 -3.82 -1.00 -0.91 -0.02 116.94 110.97 1uup h PHE 4023Ca 0.08 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.64 1uup h PHE 4023Cb 0.23 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.80 1uup h PHE 4023CO -0.22 0.05 -0.82 -0.07 -1.61 0.00 0.00 178.31 175.63 1uup h LEU 4024N 0.00 0.83 0.00 1.54 3.38 -1.33 -3.07 115.31 116.66 1uup h LEU 4024Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1uup h LEU 4024Cb 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1uup h LEU 4024CO 0.01 1.36 -0.99 -1.22 0.09 0.00 0.00 178.44 177.69 1uup n TYR 4025N -3.89 0.02 0.06 1.13 4.02 -0.98 -4.27 117.16 113.25 1uup n TYR 4025Ca -0.07 0.01 -0.18 0.00 -0.01 0.00 0.00 57.90 57.64 1uup n TYR 4025Cb 0.77 -0.11 -0.14 0.00 -0.02 0.00 0.00 39.34 39.83 1uup n TYR 4025CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1uup h GLU 4026N 0.00 0.27 -7.53 -0.72 4.57 -1.11 -3.38 114.58 106.69 1uup h GLU 4026Ca 0.00 -0.47 -0.47 0.00 -1.18 0.00 0.00 59.36 57.24 1uup h GLU 4026Cb 0.55 0.17 0.10 0.00 -0.16 0.00 0.00 28.75 29.42 1uup h GLU 4026CO 0.00 1.14 0.37 0.20 -1.18 0.00 0.00 179.01 179.55 1uup s GLY 4027N -4.98 1.60 0.64 1.92 0.00 -1.16 -5.02 107.32 100.31 1uup s GLY 4027Ca -0.10 -0.49 -0.17 0.00 0.00 0.00 0.00 44.72 43.95 1uup s GLY 4027CO 0.85 -0.02 1.19 0.99 0.00 0.00 0.00 173.10 176.12 1uup s ASP 4028N -4.31 4.92 0.50 1.64 1.01 -1.26 -4.98 116.67 114.19 1uup s ASP 4028Ca 0.61 2.33 -0.03 0.00 0.71 0.00 0.00 52.55 56.16 1uup s ASP 4028Cb -0.12 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.20 1uup s ASP 4028CO 0.51 -1.77 0.78 -2.16 0.21 0.00 0.00 175.17 172.74 1uup s PRO 4029N -3.59 3.20 -0.29 8.23 0.04 -1.26 -4.90 135.00 136.43 1uup s PRO 4029Ca 0.75 -0.10 -0.22 0.00 0.04 0.00 0.00 61.00 61.47 1uup s PRO 4029Cb -0.29 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 1uup s PRO 4029CO 0.37 -0.36 0.72 0.08 0.04 0.00 0.00 177.00 177.85 1uup s VAL 4030N -2.74 4.87 -0.01 -0.36 1.01 0.06 -4.92 120.40 118.31 1uup s VAL 4030Ca 0.49 1.14 0.03 0.00 0.00 0.00 0.00 61.98 63.65 1uup s VAL 4030Cb -0.10 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1uup s VAL 4030CO 0.42 -0.14 -0.11 0.42 0.00 0.00 0.00 175.10 175.69 1uup s THR 4031N 2.76 0.92 -0.07 3.92 -4.23 -1.25 -0.73 115.64 116.95 1uup s THR 4031Ca 0.30 -0.48 -0.15 0.00 -1.18 0.00 0.00 61.69 60.17 1uup s THR 4031Cb -0.15 -0.78 0.03 0.00 1.34 0.00 0.00 72.50 72.94 1uup s THR 4031CO 0.11 0.27 0.37 -1.00 -0.54 0.00 0.00 174.62 173.82 1uup s HIS 4032N -0.15 -0.31 -0.11 3.99 3.76 -0.32 -4.97 115.29 117.18 1uup s HIS 4032Ca 0.02 0.64 -0.00 0.00 -0.15 0.00 0.00 55.06 55.57 1uup s HIS 4032Cb -0.06 0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.75 1uup s HIS 4032CO -0.00 -0.33 -0.09 -1.21 -0.85 0.00 0.00 174.74 172.26 1uup s GLU 4033N -0.70 3.15 -1.12 1.40 0.41 -1.26 -1.23 118.70 119.35 1uup s GLU 4033Ca -0.08 -0.60 -0.20 0.00 -0.41 0.00 0.00 54.97 53.68 1uup s GLU 4033Cb -0.04 -2.66 -0.01 0.00 -1.78 0.00 0.00 34.13 29.64 1uup s GLU 4033CO 0.03 0.42 0.80 -1.71 -0.49 0.00 0.00 175.26 174.30 1uup n ASN 4034N 2.96 -5.43 -4.63 -0.19 4.05 -1.12 -4.98 115.26 105.92 1uup n ASN 4034Ca -0.18 -0.99 -0.24 0.00 0.45 0.00 0.00 54.58 53.62 1uup n ASN 4034Cb 0.53 -3.44 -0.08 0.00 1.23 0.00 0.00 39.78 38.02 1uup n ASN 4034CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1uup s VAL 4035N -3.44 2.90 -0.03 3.44 -7.23 0.27 -4.82 120.40 111.50 1uup s VAL 4035Ca 0.46 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1uup s VAL 4035Cb -0.16 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 1uup s VAL 4035CO 0.86 -0.27 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.68 1uup s LYS 4036N -3.70 1.51 0.31 4.82 1.02 -1.26 -1.22 119.74 121.22 1uup s LYS 4036Ca 0.34 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.46 1uup s LYS 4036Cb -0.03 -1.37 -0.12 0.00 -0.52 0.00 0.00 37.83 35.79 1uup s LYS 4036CO 0.19 0.27 1.55 -1.13 -0.92 0.00 0.00 175.35 175.32 1uup n SER 4037N 2.98 3.72 -0.01 2.83 3.41 -1.26 -4.58 113.62 120.71 1uup n SER 4037Ca -0.17 1.16 0.05 0.00 -0.26 0.00 0.00 58.87 59.66 1uup n SER 4037Cb 0.54 -1.58 -0.08 0.00 -0.26 0.00 0.00 64.21 62.82 1uup n SER 4037CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1uup n VAL 4038N 1.73 0.01 -3.94 -3.33 3.14 0.38 -4.22 118.33 112.10 1uup n VAL 4038Ca 0.07 -0.24 -0.11 0.00 -2.96 0.00 0.00 64.34 61.10 1uup n VAL 4038Cb 0.37 0.25 -0.01 0.00 -1.06 0.00 0.00 33.84 33.38 1uup n VAL 4038CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1uup s ASP 4039N -3.23 0.34 -0.14 6.55 2.15 -1.09 -5.00 116.67 116.25 1uup s ASP 4039Ca -0.04 -1.22 -0.10 0.00 0.43 0.00 0.00 52.55 51.61 1uup s ASP 4039Cb 0.07 0.75 0.04 0.00 -0.30 0.00 0.00 42.92 43.47 1uup s ASP 4039CO 0.44 -1.46 0.35 -1.58 -0.17 0.00 0.00 175.17 172.74 1uup s GLN 4040N -2.87 0.37 -0.17 4.34 0.74 -1.26 0.18 119.66 120.99 1uup s GLN 4040Ca 0.22 0.56 -0.14 0.00 0.05 0.00 0.00 55.36 56.05 1uup s GLN 4040Cb -0.03 0.10 -0.06 0.00 1.10 0.00 0.00 33.01 34.12 1uup s GLN 4040CO 0.14 -0.09 -0.22 -0.11 -0.55 0.00 0.00 175.29 174.46 1uup n LEU 4041N 3.41 1.87 -4.59 3.68 7.94 -1.26 -4.99 117.00 123.05 1uup n LEU 4041Ca -0.17 0.49 -0.25 0.00 -1.11 0.00 0.00 56.01 54.96 1uup n LEU 4041Cb 0.56 -0.83 -0.09 0.00 0.53 0.00 0.00 43.42 43.59 1uup n LEU 4041CO 0.13 -0.26 -0.34 -0.76 -1.11 0.00 0.00 177.39 175.05 1uup s LEU 4042N -8.03 2.87 0.48 -1.96 1.43 -1.26 -5.03 118.68 107.18 1uup s LEU 4042Ca -0.23 -1.08 0.32 0.00 -1.03 0.00 0.00 54.13 52.12 1uup s LEU 4042Cb 0.04 -1.20 1.68 0.00 0.03 0.00 0.00 46.19 46.73 1uup s LEU 4042CO 0.35 -0.22 1.99 0.28 0.23 0.00 0.00 176.35 178.98 1uup h SER 4043N 1.90 0.00 -0.45 2.29 0.02 -1.97 -2.62 113.55 112.72 1uup h SER 4043Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1uup h SER 4043Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1uup h SER 4043CO 0.68 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.37 1uup n HIS 4044N -2.68 1.28 -4.38 3.45 1.44 -1.26 -4.00 115.22 109.08 1uup n HIS 4044Ca -0.01 -0.72 -0.19 0.00 -2.01 0.00 0.00 57.72 54.78 1uup n HIS 4044Cb 0.10 -0.30 -0.10 0.00 0.12 0.00 0.00 29.99 29.81 1uup n HIS 4044CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1uup s ASP 4045N -1.27 1.77 -0.04 4.39 1.47 -0.99 -0.68 116.67 121.32 1uup s ASP 4045Ca 0.45 -1.44 -0.08 0.00 1.18 0.00 0.00 52.55 52.66 1uup s ASP 4045Cb 0.33 0.16 0.01 0.00 -0.34 0.00 0.00 42.92 43.08 1uup s ASP 4045CO 0.16 -0.74 0.18 -0.76 0.68 0.00 0.00 175.17 174.69 1uup s LEU 4046N -3.41 1.36 -0.05 2.11 1.43 -0.74 -4.57 118.68 114.81 1uup s LEU 4046Ca 0.36 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 1uup s LEU 4046Cb 0.07 0.71 -0.02 0.00 0.03 0.00 0.00 46.19 46.98 1uup s LEU 4046CO 0.15 -0.22 -0.18 -0.63 0.23 0.00 0.00 176.35 175.69 1uup s ILE 4047N -0.63 2.72 0.06 -0.59 1.01 0.13 -1.68 121.20 122.22 1uup s ILE 4047Ca -0.07 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 59.83 1uup s ILE 4047Cb -0.04 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 1uup s ILE 4047CO 0.01 0.58 -0.26 -0.31 0.00 0.00 0.00 174.94 174.96 1uup s TYR 4048N -0.59 2.33 -1.14 3.97 1.51 -0.32 -0.47 117.35 122.64 1uup s TYR 4048Ca 0.09 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.65 1uup s TYR 4048Cb -0.11 -1.37 0.26 0.00 -0.11 0.00 0.00 41.96 40.64 1uup s TYR 4048CO 0.01 0.17 1.22 -1.71 -1.11 0.00 0.00 175.55 174.13 1uup n ASN 4049N 1.59 5.55 -4.38 2.29 5.15 -1.26 -2.26 115.26 121.93 1uup n ASN 4049Ca -0.17 -3.06 -0.19 0.00 -0.60 0.00 0.00 54.58 50.55 1uup n ASN 4049Cb 0.52 -1.41 -0.10 0.00 -0.53 0.00 0.00 39.78 38.26 1uup n ASN 4049CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1uup s VAL 4050N -0.91 1.29 0.04 3.44 -7.23 -1.24 -5.02 120.40 110.77 1uup s VAL 4050Ca 0.33 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 1uup s VAL 4050Cb -0.07 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 1uup s VAL 4050CO -0.05 -0.27 -0.09 -0.44 -0.31 0.00 0.00 175.10 173.95 1uup s SER 4051N -3.38 1.00 0.36 4.85 0.01 -1.26 -3.12 113.70 112.16 1uup s SER 4051Ca 0.30 -0.52 0.06 0.00 1.31 0.00 0.00 55.95 57.10 1uup s SER 4051Cb 0.05 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.26 1uup s SER 4051CO 0.11 -0.15 0.22 -0.83 0.41 0.00 0.00 173.24 172.99 1uup s GLY 4052N -1.47 2.43 0.49 3.44 0.00 0.29 -4.98 107.32 107.52 1uup s GLY 4052Ca -0.07 -1.71 0.28 0.00 0.00 0.00 0.00 44.72 43.22 1uup s GLY 4052CO 0.01 -1.61 1.83 -2.55 0.00 0.00 0.00 173.10 170.77 1uup h PRO 4053N 2.01 0.15 0.00 2.90 0.11 -2.01 -2.82 132.00 132.33 1uup h PRO 4053Ca -0.29 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1uup h PRO 4053Cb 1.25 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1uup h PRO 4053CO 0.45 0.10 -0.23 0.09 -0.21 0.00 0.00 178.00 178.20 1uup n ASN 4054N -4.37 1.68 -3.51 -2.05 3.02 -1.26 -5.07 115.26 103.71 1uup n ASN 4054Ca 0.22 -2.91 -0.17 0.00 -0.03 0.00 0.00 54.58 51.69 1uup n ASN 4054Cb 0.99 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 39.72 1uup n ASN 4054CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1uup s TYR 4055N -2.16 -0.64 0.00 3.10 -0.85 -1.07 -4.71 117.35 111.02 1uup s TYR 4055Ca 0.26 1.02 0.00 0.00 -0.52 0.00 0.00 57.07 57.83 1uup s TYR 4055Cb 0.24 0.43 0.00 0.00 0.38 0.00 0.00 41.96 43.01 1uup s TYR 4055CO -0.00 -0.64 0.60 -0.40 -1.52 0.00 0.00 175.55 173.59 1uup n ASP 4056N 0.74 1.11 -3.82 -0.18 5.75 -0.48 -0.54 116.55 119.13 1uup n ASP 4056Ca -0.19 -1.33 -0.12 0.00 -0.01 0.00 0.00 54.79 53.14 1uup n ASP 4056Cb 0.58 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.54 1uup n ASP 4056CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1uup s LYS 4057N -0.33 0.12 -0.09 0.11 1.02 -1.18 -3.67 119.74 115.71 1uup s LYS 4057Ca 0.00 0.17 0.02 0.00 0.02 0.00 0.00 55.97 56.18 1uup s LYS 4057Cb 0.00 0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.36 1uup s LYS 4057CO 0.00 -0.03 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.10 1uup s LEU 4058N 0.18 1.60 -0.25 3.17 2.96 -0.96 -1.27 118.68 124.10 1uup s LEU 4058Ca -0.01 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1uup s LEU 4058Cb -0.02 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.74 1uup s LEU 4058CO -0.00 -0.00 -0.02 -0.75 -1.32 0.00 0.00 176.35 174.25 1uup s LYS 4059N 0.99 3.03 -0.08 1.98 2.20 0.51 -1.17 119.74 127.20 1uup s LYS 4059Ca -0.08 -0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 54.64 1uup s LYS 4059Cb -0.15 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1uup s LYS 4059CO -0.01 -0.36 0.07 -0.08 -0.36 0.00 0.00 175.35 174.62 1uup s THR 4060N 1.40 4.86 -0.20 3.43 -1.32 -0.67 -1.72 115.64 121.41 1uup s THR 4060Ca 0.02 -0.11 -0.04 0.00 -1.21 0.00 0.00 61.69 60.35 1uup s THR 4060Cb -0.16 -3.11 -0.02 0.00 -1.51 0.00 0.00 72.50 67.70 1uup s THR 4060CO -0.03 0.55 -0.03 -0.70 -2.21 0.00 0.00 174.62 172.20 1uup s GLU 4061N -1.14 3.48 0.54 7.08 2.12 -0.56 -1.80 118.70 128.42 1uup s GLU 4061Ca 0.16 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 54.99 1uup s GLU 4061Cb -0.12 -3.00 0.06 0.00 0.26 0.00 0.00 34.13 31.33 1uup s GLU 4061CO 0.06 -0.07 0.64 -0.51 -0.54 0.00 0.00 175.26 174.84 1uup s LEU 4062N 1.17 3.10 0.19 2.70 1.43 0.14 -1.28 118.68 126.12 1uup s LEU 4062Ca 0.02 -0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 52.06 1uup s LEU 4062Cb -0.14 -1.69 0.15 0.00 0.03 0.00 0.00 46.19 44.54 1uup s LEU 4062CO -0.00 -1.16 1.61 0.50 0.23 0.00 0.00 176.35 177.53 1uup h LYS 4063N 0.43 -0.11 0.00 1.70 3.64 -1.51 -3.46 116.57 117.27 1uup h LYS 4063Ca -0.33 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1uup h LYS 4063Cb 1.29 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1uup h LYS 4063CO 0.46 -0.07 0.00 0.27 -2.27 0.00 0.00 179.45 177.84 1uup n ASN 4064N -5.42 0.00 0.12 4.20 2.04 -1.26 -5.00 115.26 109.94 1uup n ASN 4064Ca 0.05 -0.67 -0.01 0.00 -0.44 0.00 0.00 54.58 53.50 1uup n ASN 4064Cb 0.33 0.00 0.24 0.00 -2.53 0.00 0.00 39.78 37.81 1uup n ASN 4064CO 0.00 0.00 0.00 0.06 -0.44 0.00 0.00 177.26 176.88 1uup h GLN 4065N 0.00 0.15 -0.93 -3.83 3.07 -1.88 -2.58 115.11 109.11 1uup h GLN 4065Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 58.65 58.65 1uup h GLN 4065Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.52 1uup h GLN 4065CO 0.00 0.58 0.53 0.93 0.09 0.00 0.00 178.83 180.95 1uup h GLU 4066N 0.12 1.28 -0.06 0.06 3.07 -1.96 0.22 114.58 117.30 1uup h GLU 4066Ca 0.01 -0.14 -0.20 0.00 -0.50 0.00 0.00 59.36 58.53 1uup h GLU 4066Cb 0.85 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1uup h GLU 4066CO 0.07 0.92 -0.78 1.98 -1.40 0.00 0.00 179.01 179.79 1uup h MET 4067N 1.29 0.43 -0.31 2.33 4.05 -1.91 -1.76 114.93 119.06 1uup h MET 4067Ca 0.33 -0.38 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1uup h MET 4067Cb -0.00 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1uup h MET 4067CO -0.06 1.02 0.07 0.00 0.23 0.00 0.00 176.91 178.18 1uup h ALA 4068N 0.86 0.40 0.00 0.39 0.00 -1.01 -2.36 119.26 117.55 1uup h ALA 4068Ca -0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1uup h ALA 4068Cb 1.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1uup h ALA 4068CO 0.14 0.07 -0.38 1.79 0.00 0.00 0.00 179.25 180.87 1uup h THR 4069N 0.33 1.01 -0.26 0.00 1.35 -0.99 0.65 112.91 115.00 1uup h THR 4069Ca 0.10 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1uup h THR 4069Cb 0.30 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1uup h THR 4069CO 0.00 0.37 0.17 0.25 -0.25 0.00 0.00 175.52 176.07 1uup h LEU 4070N 0.00 0.30 0.00 3.87 5.85 -0.79 -3.04 115.31 121.51 1uup h LEU 4070Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1uup h LEU 4070Cb 0.81 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1uup h LEU 4070CO 0.05 0.22 -0.71 0.49 -0.34 0.00 0.00 178.44 178.15 1uup n PHE 4071N -4.50 0.00 -1.62 1.25 3.01 -0.99 -4.91 117.46 109.70 1uup n PHE 4071Ca 0.01 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 57.99 1uup n PHE 4071Cb 0.07 -0.03 -0.04 0.00 -0.01 0.00 0.00 39.48 39.47 1uup n PHE 4071CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1uup n LYS 4072N -1.37 1.57 -0.37 -1.08 4.81 0.19 -1.44 118.16 120.47 1uup n LYS 4072Ca 0.02 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1uup n LYS 4072Cb 0.22 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1uup n LYS 4072CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1uup n ASP 4073N 2.33 0.00 -4.81 3.14 2.03 -1.26 -4.92 116.55 113.05 1uup n ASP 4073Ca 0.15 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.09 1uup n ASP 4073Cb 0.26 -2.13 -0.06 0.00 -0.72 0.00 0.00 41.12 38.48 1uup n ASP 4073CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1uup s LYS 4074N -0.73 4.25 -0.37 -0.67 1.02 -0.52 -4.73 119.74 117.99 1uup s LYS 4074Ca 0.00 0.84 -0.28 0.00 0.02 0.00 0.00 55.97 56.55 1uup s LYS 4074Cb 0.00 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1uup s LYS 4074CO 0.00 0.46 1.90 -0.80 -0.92 0.00 0.00 175.35 176.00 1uup s ASN 4075N -1.52 5.63 0.30 2.83 0.01 -1.26 -4.55 114.94 116.38 1uup s ASN 4075Ca 0.39 1.20 0.03 0.00 -0.71 0.00 0.00 52.86 53.77 1uup s ASN 4075Cb -0.18 -2.52 -0.06 0.00 0.41 0.00 0.00 41.25 38.90 1uup s ASN 4075CO 0.21 -1.93 0.06 0.68 -1.51 0.00 0.00 177.10 174.61 1uup s VAL 4076N 7.81 1.02 0.09 1.60 -7.23 -0.36 -1.70 120.40 121.62 1uup s VAL 4076Ca 0.81 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.03 1uup s VAL 4076Cb -0.22 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1uup s VAL 4076CO 0.31 -0.04 -0.03 -1.81 -0.31 0.00 0.00 175.10 173.23 1uup s ASP 4077N -3.42 4.86 -0.08 4.85 1.01 0.79 -0.56 116.67 124.12 1uup s ASP 4077Ca 0.36 -0.22 0.04 0.00 0.71 0.00 0.00 52.55 53.44 1uup s ASP 4077Cb 0.08 -1.11 -0.00 0.00 1.01 0.00 0.00 42.92 42.90 1uup s ASP 4077CO 0.14 0.18 -0.22 -0.63 0.21 0.00 0.00 175.17 174.86 1uup s ILE 4078N -1.27 1.85 -0.26 0.77 1.01 -0.37 -2.25 121.20 120.69 1uup s ILE 4078Ca 0.24 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1uup s ILE 4078Cb -0.11 -1.60 0.09 0.00 0.01 0.00 0.00 42.46 40.85 1uup s ILE 4078CO 0.16 0.52 0.12 -0.47 0.00 0.00 0.00 174.94 175.27 1uup s TYR 4079N 0.20 0.28 0.08 3.97 5.04 -0.14 -1.17 117.35 125.61 1uup s TYR 4079Ca -0.12 -0.72 -0.13 0.00 -2.44 0.00 0.00 57.07 53.66 1uup s TYR 4079Cb -0.16 -0.84 0.02 0.00 0.35 0.00 0.00 41.96 41.33 1uup s TYR 4079CO 0.06 -0.74 0.29 0.20 -1.34 0.00 0.00 175.55 174.02 1uup s GLY 4080N 2.11 -0.09 -0.41 8.97 0.00 0.09 -4.33 107.32 113.66 1uup s GLY 4080Ca 0.07 -0.23 -0.20 0.00 0.00 0.00 0.00 44.72 44.36 1uup s GLY 4080CO -0.29 -0.45 0.59 0.14 0.00 0.00 0.00 173.10 173.08 1uup s VAL 4081N -3.39 4.91 0.22 1.40 1.01 -1.26 -0.76 120.40 122.53 1uup s VAL 4081Ca 0.01 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1uup s VAL 4081Cb 0.02 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1uup s VAL 4081CO -0.09 -0.48 0.36 -1.83 0.00 0.00 0.00 175.10 173.07 1uup s GLU 4082N 2.63 3.46 0.17 2.72 1.03 -1.26 -4.62 118.70 122.82 1uup s GLU 4082Ca 0.20 -0.61 0.03 0.00 0.03 0.00 0.00 54.97 54.62 1uup s GLU 4082Cb -0.15 -2.88 -0.05 0.00 -0.80 0.00 0.00 34.13 30.25 1uup s GLU 4082CO 0.17 0.42 -0.03 1.52 -1.33 0.00 0.00 175.26 176.01 1uup s TYR 4083N -1.93 1.23 0.00 4.83 -0.85 -0.21 -4.94 117.35 115.48 1uup s TYR 4083Ca 0.35 -0.94 0.00 0.00 -0.52 0.00 0.00 57.07 55.96 1uup s TYR 4083Cb -0.10 -0.69 0.00 0.00 0.38 0.00 0.00 41.96 41.55 1uup s TYR 4083CO 0.30 -0.13 0.00 0.66 -1.52 0.00 0.00 175.55 174.86 1uup n TYR 4084N -0.23 0.00 -1.72 -3.49 4.02 -1.26 -2.32 117.16 112.15 1uup n TYR 4084Ca -0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.39 1uup n TYR 4084Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.92 1uup n TYR 4084CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1uup s HIS 4085N -1.93 1.37 -0.35 -0.72 2.46 -1.26 -2.30 115.29 112.55 1uup s HIS 4085Ca 0.00 0.24 -0.00 0.00 0.47 0.00 0.00 55.06 55.76 1uup s HIS 4085Cb 0.00 -4.04 -0.00 0.00 -0.13 0.00 0.00 32.58 28.40 1uup s HIS 4085CO 0.00 -4.32 0.30 1.28 -2.47 0.00 0.00 174.74 169.53 1uup n LEU 4086N 9.89 -2.70 -3.69 8.88 4.77 -1.26 -4.74 117.00 128.14 1uup n LEU 4086Ca 0.25 -0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 55.88 1uup n LEU 4086Cb 0.44 -1.30 -0.15 0.00 -2.33 0.00 0.00 43.42 40.08 1uup n LEU 4086CO 0.67 0.10 -0.24 0.00 -1.33 0.00 0.00 177.39 176.58 1uup n TYR 4088N 4.97 0.00 -1.59 0.00 0.18 -1.26 -4.82 117.16 114.65 1uup n TYR 4088Ca -0.11 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.35 1uup n TYR 4088Cb 0.50 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.52 1uup n TYR 4088CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1uup n LEU 4089N 0.00 6.76 0.00 -3.48 4.32 -1.26 -5.04 117.00 118.30 1uup n LEU 4089Ca 0.00 -4.47 0.00 0.00 -0.02 0.00 0.00 56.01 51.52 1uup n LEU 4089Cb 0.00 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 1uup n LEU 4089CO 0.00 1.70 0.00 0.00 -1.22 0.00 0.00 177.39 177.87 1uup n GLU 4091N 0.00 1.43 -1.41 0.00 2.13 -1.26 -3.20 120.64 118.33 1uup n GLU 4091Ca 0.00 -0.99 0.02 0.00 0.66 0.00 0.00 57.16 56.85 1uup n GLU 4091Cb 0.00 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.32 1uup n GLU 4091CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1uup n ASN 4092N 0.10 0.57 -3.15 4.31 6.94 -1.26 -4.90 115.26 117.87 1uup n ASN 4092Ca 0.20 -2.00 -0.18 0.00 -0.02 0.00 0.00 54.58 52.57 1uup n ASN 4092Cb 0.82 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 38.04 1uup n ASN 4092CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1uup n ALA 4093N 0.38 1.84 -0.06 -2.53 0.00 -1.19 -4.93 120.51 114.02 1uup n ALA 4093Ca -0.01 -3.24 0.11 0.00 0.00 0.00 0.00 53.44 50.30 1uup n ALA 4093Cb 1.05 -0.93 0.49 0.00 0.00 0.00 0.00 19.45 20.07 1uup n ALA 4093CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1uup h GLU 4094N 3.21 0.41 -2.17 0.00 4.39 -1.90 -3.29 114.58 115.22 1uup h GLU 4094Ca 0.08 -0.02 -0.55 0.00 0.34 0.00 0.00 59.36 59.21 1uup h GLU 4094Cb 0.96 -0.09 -0.41 0.00 -0.10 0.00 0.00 28.75 29.11 1uup h GLU 4094CO 0.47 0.27 -0.87 0.54 -1.16 0.00 0.00 179.01 178.26 1uup n ARG 4095N -4.47 2.27 -4.04 2.33 1.74 -1.26 -5.09 116.66 108.14 1uup n ARG 4095Ca 0.09 -4.24 -0.24 0.00 -0.77 0.00 0.00 57.85 52.68 1uup n ARG 4095Cb 0.33 -2.01 -0.04 0.00 -1.02 0.00 0.00 32.46 29.72 1uup n ARG 4095CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1uup s SER 4096N -2.97 5.85 0.05 0.55 0.01 -1.24 -1.38 113.70 114.57 1uup s SER 4096Ca 0.45 -0.06 0.05 0.00 1.31 0.00 0.00 55.95 57.70 1uup s SER 4096Cb 0.30 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.89 1uup s SER 4096CO -0.11 0.01 -0.14 0.00 0.41 0.00 0.00 173.24 173.41 1uup s ALA 4097N -1.89 1.20 0.10 1.44 0.00 -0.40 -4.90 121.76 117.31 1uup s ALA 4097Ca 0.33 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.48 1uup s ALA 4097Cb -0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1uup s ALA 4097CO 0.26 0.21 -0.21 0.00 0.00 0.00 0.00 175.76 176.02 1uup s ILE 4099N -1.15 0.00 -0.03 0.00 -4.36 -0.70 -1.05 121.20 113.91 1uup s ILE 4099Ca 0.07 -1.50 0.06 0.00 -0.26 0.00 0.00 60.65 59.03 1uup s ILE 4099Cb -0.10 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.07 1uup s ILE 4099CO 0.04 0.00 -0.22 -0.31 0.24 0.00 0.00 174.94 174.70 1uup s TYR 4100N -3.32 2.00 0.00 1.37 1.51 -1.26 -1.49 117.35 116.15 1uup s TYR 4100Ca 0.27 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1uup s TYR 4100Cb -0.01 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 1uup s TYR 4100CO 0.15 -0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 1uup n GLY 4101N 2.69 3.00 2.33 0.71 0.00 -0.41 -4.59 105.19 108.91 1uup n GLY 4101Ca -0.16 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 1uup n GLY 4101CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uup n GLY 4102N 0.00 0.18 3.39 -0.02 0.00 -1.26 -4.85 105.19 102.62 1uup n GLY 4102Ca 0.00 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1uup n GLY 4102CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uup s VAL 4103N -2.71 3.04 0.02 1.61 1.01 -1.26 -0.97 120.40 121.14 1uup s VAL 4103Ca 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1uup s VAL 4103Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1uup s VAL 4103CO 0.00 0.54 0.03 0.42 0.00 0.00 0.00 175.10 176.09 1uup s THR 4104N 0.15 0.11 0.31 3.92 -4.23 -0.95 -4.92 115.64 110.03 1uup s THR 4104Ca -0.07 -0.92 -0.29 0.00 -1.18 0.00 0.00 61.69 59.23 1uup s THR 4104Cb -0.15 -0.46 -0.10 0.00 1.34 0.00 0.00 72.50 73.13 1uup s THR 4104CO 0.05 -0.51 1.31 0.20 -0.54 0.00 0.00 174.62 175.13 1uup s ASN 4105N -1.61 6.79 -0.14 3.99 0.01 -1.26 -0.15 114.94 122.58 1uup s ASN 4105Ca -0.13 2.65 -0.27 0.00 -0.71 0.00 0.00 52.86 54.39 1uup s ASN 4105Cb -0.07 -2.64 -0.26 0.00 0.41 0.00 0.00 41.25 38.69 1uup s ASN 4105CO -0.01 -0.53 0.71 -0.74 -1.51 0.00 0.00 177.10 175.01 1uup h HIS 4106N 3.72 0.05 -2.41 2.20 -0.00 -1.61 -3.42 115.15 113.68 1uup h HIS 4106Ca -0.48 -0.04 -0.56 0.00 -0.00 0.00 0.00 60.37 59.30 1uup h HIS 4106Cb 1.22 -0.00 0.05 0.00 -0.00 0.00 0.00 27.41 28.68 1uup h HIS 4106CO 0.57 1.09 0.95 0.39 -0.00 0.00 0.00 177.93 180.93 1uup n GLU 4107N -4.54 2.47 -1.02 5.26 4.71 -1.26 -2.54 120.64 123.72 1uup n GLU 4107Ca -0.13 0.89 -0.01 0.00 -0.01 0.00 0.00 57.16 57.90 1uup n GLU 4107Cb 0.54 -2.72 -0.00 0.00 -1.01 0.00 0.00 31.44 28.25 1uup n GLU 4107CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uup n GLY 4108N 3.82 0.12 1.26 0.62 0.00 -1.26 -4.85 105.19 104.90 1uup n GLY 4108Ca 0.17 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1uup n GLY 4108CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uup n ASN 4109N -0.88 3.71 -4.95 1.61 4.05 -1.05 -4.94 115.26 112.80 1uup n ASN 4109Ca -0.01 -2.00 -0.25 0.00 0.45 0.00 0.00 54.58 52.78 1uup n ASN 4109Cb 0.44 -0.39 -0.03 0.00 1.23 0.00 0.00 39.78 41.04 1uup n ASN 4109CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1uup s HIS 4110N -1.22 3.48 0.15 1.20 3.76 -1.26 -0.93 115.29 120.46 1uup s HIS 4110Ca 0.45 0.09 0.06 0.00 -0.15 0.00 0.00 55.06 55.50 1uup s HIS 4110Cb 0.24 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 1uup s HIS 4110CO 0.33 0.49 0.06 -0.51 -0.85 0.00 0.00 174.74 174.26 1uup s LEU 4111N -3.42 3.56 -0.03 0.89 1.43 0.11 -4.80 118.68 116.42 1uup s LEU 4111Ca 0.34 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.98 1uup s LEU 4111Cb -0.11 -2.22 -0.17 0.00 0.03 0.00 0.00 46.19 43.73 1uup s LEU 4111CO 0.29 0.10 1.09 -0.33 0.23 0.00 0.00 176.35 177.73 1uup h GLU 4112N 2.75 -0.21 -6.35 1.70 5.08 -2.00 -3.44 114.58 112.12 1uup h GLU 4112Ca -0.47 0.01 -0.68 0.00 -1.00 0.00 0.00 59.36 57.22 1uup h GLU 4112Cb 1.19 0.05 -0.19 0.00 0.50 0.00 0.00 28.75 30.30 1uup h GLU 4112CO 0.61 0.21 -0.73 0.42 -1.00 0.00 0.00 179.01 178.51 1uup s ILE 4113N -4.01 3.39 0.65 3.13 1.01 -1.26 -5.10 121.20 119.01 1uup s ILE 4113Ca -0.14 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 1uup s ILE 4113Cb 0.01 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1uup s ILE 4113CO 0.55 0.42 1.11 -2.65 0.00 0.00 0.00 174.94 174.37 1uup n PRO 4114N 1.68 0.90 -3.46 2.79 -0.02 -1.26 -4.96 135.00 130.67 1uup n PRO 4114Ca -0.16 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.25 1uup n PRO 4114Cb 0.52 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 1uup n PRO 4114CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1uup s LYS 4115N -3.16 2.89 0.54 -0.52 2.47 -0.42 -4.91 119.74 116.62 1uup s LYS 4115Ca 0.79 -1.30 -0.19 0.00 -1.56 0.00 0.00 55.97 53.70 1uup s LYS 4115Cb -0.38 -4.00 -0.06 0.00 -1.46 0.00 0.00 37.83 31.92 1uup s LYS 4115CO 0.44 -0.94 1.11 0.15 0.16 0.00 0.00 175.35 176.26 1uup s LYS 4116N 1.59 3.44 -0.01 4.03 1.02 -1.26 -3.07 119.74 125.48 1uup s LYS 4116Ca 0.04 1.54 0.01 0.00 0.02 0.00 0.00 55.97 57.57 1uup s LYS 4116Cb -0.23 -2.02 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1uup s LYS 4116CO 0.06 -0.76 -0.03 0.42 -0.92 0.00 0.00 175.35 174.12 1uup s ILE 4117N -1.86 0.31 0.11 2.17 1.01 0.42 -4.95 121.20 118.42 1uup s ILE 4117Ca 0.71 -0.11 -0.22 0.00 0.00 0.00 0.00 60.65 61.03 1uup s ILE 4117Cb -0.22 -0.31 -0.07 0.00 0.01 0.00 0.00 42.46 41.87 1uup s ILE 4117CO 0.26 0.12 0.66 0.54 0.00 0.00 0.00 174.94 176.52 1uup s VAL 4118N 0.28 4.57 -0.31 2.92 0.11 -1.26 -0.66 120.40 126.05 1uup s VAL 4118Ca -0.03 1.44 0.00 0.00 -2.93 0.00 0.00 61.98 60.47 1uup s VAL 4118Cb -0.06 -4.01 0.07 0.00 -1.53 0.00 0.00 36.38 30.85 1uup s VAL 4118CO -0.00 0.54 0.01 -0.69 -3.33 0.00 0.00 175.10 171.62 1uup s VAL 4119N -1.11 2.68 -0.38 2.04 1.01 0.15 -4.11 120.40 120.67 1uup s VAL 4119Ca 0.32 -1.72 -0.26 0.00 0.00 0.00 0.00 61.98 60.32 1uup s VAL 4119Cb -0.21 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.52 1uup s VAL 4119CO 0.22 -0.26 0.93 -0.54 0.00 0.00 0.00 175.10 175.46 1uup s LYS 4120N 1.13 3.81 -0.14 2.72 1.02 -1.02 -2.63 119.74 124.62 1uup s LYS 4120Ca -0.01 0.54 -0.05 0.00 0.02 0.00 0.00 55.97 56.46 1uup s LYS 4120Cb -0.20 -3.82 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 1uup s LYS 4120CO -0.04 -0.98 0.04 0.08 -0.92 0.00 0.00 175.35 173.53 1uup s VAL 4121N 3.52 4.61 0.01 3.17 1.01 0.69 -1.12 120.40 132.29 1uup s VAL 4121Ca 0.38 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.33 1uup s VAL 4121Cb -0.12 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1uup s VAL 4121CO 0.20 0.52 -0.24 -0.44 0.00 0.00 0.00 175.10 175.14 1uup s SER 4122N -0.13 3.28 -0.10 3.32 0.01 -0.15 -3.04 113.70 116.88 1uup s SER 4122Ca 0.06 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.83 1uup s SER 4122Cb -0.12 -0.40 0.03 0.00 0.21 0.00 0.00 66.02 65.73 1uup s SER 4122CO 0.02 0.29 -0.05 -0.63 0.41 0.00 0.00 173.24 173.27 1uup s ILE 4123N -0.73 0.82 -1.34 1.44 1.01 0.04 -0.48 121.20 121.96 1uup s ILE 4123Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1uup s ILE 4123Cb -0.10 -0.88 -0.00 0.00 0.01 0.00 0.00 42.46 41.49 1uup s ILE 4123CO 0.01 0.33 0.59 0.47 0.00 0.00 0.00 174.94 176.34 1uup n ASP 4124N 4.93 -0.92 0.00 3.58 8.00 0.13 -1.65 116.55 130.61 1uup n ASP 4124Ca -0.12 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1uup n ASP 4124Cb 0.50 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 1uup n ASP 4124CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uup n GLY 4125N -1.74 1.48 3.62 0.44 0.00 -1.26 -4.96 105.19 102.77 1uup n GLY 4125Ca -0.30 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1uup n GLY 4125CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uup s ILE 4126N -0.09 3.53 -1.25 -0.61 1.01 -0.66 -4.91 121.20 118.23 1uup s ILE 4126Ca 0.00 0.59 -0.19 0.00 0.00 0.00 0.00 60.65 61.05 1uup s ILE 4126Cb 0.00 -3.56 0.06 0.00 0.01 0.00 0.00 42.46 38.96 1uup s ILE 4126CO 0.00 -0.26 1.71 -1.58 0.00 0.00 0.00 174.94 174.81 1uup s GLN 4127N 4.97 3.83 -0.06 2.79 -0.44 -1.26 -0.78 119.66 128.71 1uup s GLN 4127Ca 0.77 -1.80 0.16 0.00 -2.50 0.00 0.00 55.36 52.00 1uup s GLN 4127Cb -0.27 -5.49 0.54 0.00 -1.64 0.00 0.00 33.01 26.15 1uup s GLN 4127CO 0.32 -2.36 1.45 -1.13 0.50 0.00 0.00 175.29 174.07 1uup n SER 4128N 8.87 3.84 -3.66 6.67 3.41 -1.19 -4.96 113.62 126.60 1uup n SER 4128Ca 0.46 -2.26 -0.09 0.00 -0.26 0.00 0.00 58.87 56.72 1uup n SER 4128Cb 0.47 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 1uup n SER 4128CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1uup s LEU 4129N -1.48 -0.57 0.00 1.04 2.96 -1.17 -5.07 118.68 114.39 1uup s LEU 4129Ca 0.40 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.57 1uup s LEU 4129Cb 0.24 1.97 -0.00 0.00 0.50 0.00 0.00 46.19 48.90 1uup s LEU 4129CO 0.22 -0.22 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.57 1uup s SER 4130N 1.45 0.23 0.18 3.68 0.01 -1.26 -0.22 113.70 117.75 1uup s SER 4130Ca -0.09 -0.10 -0.08 0.00 1.31 0.00 0.00 55.95 56.99 1uup s SER 4130Cb -0.06 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 1uup s SER 4130CO -0.16 -0.02 0.28 0.72 0.41 0.00 0.00 173.24 174.47 1uup s PHE 4131N -0.23 0.49 -0.03 2.43 -0.12 -1.08 -4.96 117.98 114.49 1uup s PHE 4131Ca -0.01 -0.85 -0.05 0.00 -0.05 0.00 0.00 56.93 55.97 1uup s PHE 4131Cb -0.02 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1uup s PHE 4131CO -0.00 -0.73 0.21 -0.51 -0.05 0.00 0.00 175.22 174.13 1uup s ASP 4132N -3.00 6.42 0.04 1.98 -0.00 -1.26 -0.68 116.67 120.18 1uup s ASP 4132Ca 0.20 0.46 0.05 0.00 -0.00 0.00 0.00 52.55 53.25 1uup s ASP 4132Cb 0.03 -2.05 -0.02 0.00 -0.00 0.00 0.00 42.92 40.88 1uup s ASP 4132CO 0.02 0.29 -0.13 -0.63 -0.00 0.00 0.00 175.17 174.72 1uup s ILE 4133N -1.25 1.03 0.09 0.77 -1.09 0.17 -4.93 121.20 115.98 1uup s ILE 4133Ca 0.25 -1.01 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 1uup s ILE 4133Cb -0.13 -0.95 -0.04 0.00 -1.58 0.00 0.00 42.46 39.76 1uup s ILE 4133CO 0.15 -0.05 -0.06 -1.83 -1.23 0.00 0.00 174.94 171.91 1uup s GLU 4134N -1.20 0.78 0.13 2.79 -1.05 -1.26 0.16 118.70 119.05 1uup s GLU 4134Ca 0.00 -1.26 -0.09 0.00 -0.15 0.00 0.00 54.97 53.47 1uup s GLU 4134Cb -0.08 -0.18 -0.00 0.00 -0.44 0.00 0.00 34.13 33.42 1uup s GLU 4134CO 0.01 -0.02 0.25 -0.08 0.95 0.00 0.00 175.26 176.37 1uup s THR 4135N -3.39 0.10 -1.76 1.83 -1.32 -1.17 -4.96 115.64 104.97 1uup s THR 4135Ca 0.09 -1.26 0.16 0.00 -1.21 0.00 0.00 61.69 59.46 1uup s THR 4135Cb 0.04 -1.59 0.08 0.00 -1.51 0.00 0.00 72.50 69.51 1uup s THR 4135CO -0.05 -0.45 0.93 0.59 -2.21 0.00 0.00 174.62 173.43 1uup n ASN 4136N -0.15 2.04 -4.88 8.08 3.02 -1.26 -1.30 115.26 120.81 1uup n ASN 4136Ca -0.11 -1.52 -0.36 0.00 -0.03 0.00 0.00 54.58 52.56 1uup n ASN 4136Cb 0.63 0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.92 1uup n ASN 4136CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1uup s LYS 4137N -1.50 3.58 0.08 3.52 1.02 -1.26 -0.72 119.74 124.47 1uup s LYS 4137Ca 0.16 -0.03 -0.14 0.00 0.02 0.00 0.00 55.97 55.98 1uup s LYS 4137Cb 0.13 -3.13 -0.20 0.00 -0.52 0.00 0.00 37.83 34.11 1uup s LYS 4137CO 0.26 0.69 1.23 0.87 -0.92 0.00 0.00 175.35 177.48 1uup h LYS 4138N 4.33 0.73 -4.80 1.68 1.57 -1.35 -3.40 116.57 115.34 1uup h LYS 4138Ca -0.51 -0.71 -0.68 0.00 -1.87 0.00 0.00 60.65 56.87 1uup h LYS 4138Cb 1.21 0.18 -0.33 0.00 0.08 0.00 0.00 32.23 33.37 1uup h LYS 4138CO 0.63 1.30 -0.72 -1.64 -0.57 0.00 0.00 179.45 178.45 1uup s MET 4139N -3.48 2.45 -0.05 3.15 -1.94 -1.26 -1.64 119.30 116.54 1uup s MET 4139Ca -0.10 -1.24 0.06 0.00 -1.71 0.00 0.00 55.69 52.70 1uup s MET 4139Cb 0.07 -3.12 -0.02 0.00 2.01 0.00 0.00 34.83 33.78 1uup s MET 4139CO 0.91 -0.59 -0.23 0.54 -0.01 0.00 0.00 175.02 175.64 1uup s VAL 4140N 1.24 2.26 0.61 -6.03 0.11 -0.08 -4.87 120.40 113.64 1uup s VAL 4140Ca -0.05 -1.01 -0.18 0.00 -2.93 0.00 0.00 61.98 57.81 1uup s VAL 4140Cb -0.19 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.81 1uup s VAL 4140CO -0.02 0.57 1.17 0.42 -3.33 0.00 0.00 175.10 173.91 1uup s THR 4141N -0.36 2.84 0.46 5.04 -4.23 -1.26 0.74 115.64 118.88 1uup s THR 4141Ca 0.02 0.48 0.18 0.00 -1.18 0.00 0.00 61.69 61.20 1uup s THR 4141Cb -0.12 -3.12 0.23 0.00 1.34 0.00 0.00 72.50 70.83 1uup s THR 4141CO 0.02 -0.16 2.04 0.00 -0.54 0.00 0.00 174.62 175.99 1uup h ALA 4142N 0.62 1.64 -0.07 3.99 0.00 -1.15 -2.70 119.26 121.60 1uup h ALA 4142Ca -0.49 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1uup h ALA 4142Cb 1.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1uup h ALA 4142CO 0.55 0.17 0.04 0.37 0.00 0.00 0.00 179.25 180.38 1uup h GLN 4143N 0.00 0.09 -0.16 0.00 4.15 -1.90 0.17 115.11 117.46 1uup h GLN 4143Ca -0.00 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.45 1uup h GLN 4143Cb 0.27 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 1uup h GLN 4143CO 0.02 0.11 -0.13 1.49 -1.93 0.00 0.00 178.83 178.39 1uup h GLU 4144N 0.04 -0.13 0.23 1.69 4.81 -1.70 0.02 114.58 119.54 1uup h GLU 4144Ca 0.02 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1uup h GLU 4144Cb 0.04 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1uup h GLU 4144CO -0.00 -0.09 -0.18 -0.07 -0.73 0.00 0.00 179.01 177.94 1uup h LEU 4145N -0.14 -0.47 -0.49 1.64 3.38 -1.48 -2.44 115.31 115.31 1uup h LEU 4145Ca 0.10 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1uup h LEU 4145Cb 0.28 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 1uup h LEU 4145CO -0.24 -0.28 -0.16 -0.78 0.09 0.00 0.00 178.44 177.07 1uup h ASP 4146N -0.42 -0.57 0.08 -0.43 3.58 -0.23 -1.22 116.42 117.21 1uup h ASP 4146Ca -0.01 0.16 0.02 0.00 0.42 0.00 0.00 57.03 57.62 1uup h ASP 4146Cb 0.38 0.35 -0.04 0.00 1.72 0.00 0.00 39.33 41.74 1uup h ASP 4146CO -0.01 -0.20 -0.25 0.22 -2.88 0.00 0.00 179.24 176.12 1uup h TYR 4147N -0.05 -0.67 -0.81 0.28 3.20 -0.81 -0.47 116.97 117.64 1uup h TYR 4147Ca 0.23 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.28 1uup h TYR 4147Cb 0.40 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.90 1uup h TYR 4147CO -0.45 -0.35 0.54 0.87 -1.64 0.00 0.00 178.16 177.13 1uup h LYS 4148N -0.43 0.47 0.29 1.82 1.57 -0.92 0.34 116.57 119.71 1uup h LYS 4148Ca 0.04 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1uup h LYS 4148Cb 0.48 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1uup h LYS 4148CO -0.17 0.31 -0.14 0.28 -0.57 0.00 0.00 179.45 179.17 1uup h VAL 4149N 0.49 0.63 0.00 0.50 2.07 -0.40 -2.50 116.25 117.03 1uup h VAL 4149Ca 0.41 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1uup h VAL 4149Cb 0.87 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1uup h VAL 4149CO -0.15 0.13 -0.17 0.03 0.02 0.00 0.00 177.57 177.43 1uup h ARG 4150N -0.87 0.00 0.10 1.57 3.08 -0.53 -1.72 114.38 116.01 1uup h ARG 4150Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1uup h ARG 4150Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1uup h ARG 4150CO 0.07 0.17 -0.05 -0.22 -1.07 0.00 0.00 179.97 178.87 1uup h LYS 4151N 0.00 -0.13 -0.25 0.04 1.63 -0.36 0.13 116.57 117.63 1uup h LYS 4151Ca -0.00 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 1uup h LYS 4151Cb 0.35 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1uup h LYS 4151CO 0.02 0.18 0.03 -0.92 -3.45 0.00 0.00 179.45 175.32 1uup h TYR 4152N -0.44 0.05 0.00 1.91 3.20 -1.07 -0.88 116.97 119.75 1uup h TYR 4152Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1uup h TYR 4152Cb 0.36 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1uup h TYR 4152CO 0.03 0.00 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.40 1uup h LEU 4153N 0.12 0.00 0.04 2.82 3.38 -1.31 0.57 115.31 120.94 1uup h LEU 4153Ca 0.12 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 1uup h LEU 4153Cb 0.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.90 1uup h LEU 4153CO -0.17 0.08 -0.80 0.74 0.09 0.00 0.00 178.44 178.38 1uup h THR 4154N 0.00 1.40 -0.18 0.22 2.02 0.02 -0.87 112.91 115.52 1uup h THR 4154Ca -0.00 -2.24 -0.18 0.00 0.77 0.00 0.00 66.41 64.76 1uup h THR 4154Cb 0.63 2.70 0.01 0.00 -1.74 0.00 0.00 68.15 69.74 1uup h THR 4154CO 0.01 0.66 -0.57 0.44 0.37 0.00 0.00 175.52 176.43 1uup h ASP 4155N -0.03 0.82 0.30 4.18 3.45 -1.01 -3.04 116.42 121.08 1uup h ASP 4155Ca -0.11 -0.59 -0.08 0.00 0.43 0.00 0.00 57.03 56.67 1uup h ASP 4155Cb 1.52 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 40.04 1uup h ASP 4155CO 0.16 1.27 -1.77 0.59 -1.57 0.00 0.00 179.24 177.91 1uup n ASN 4156N -4.10 0.30 -0.09 6.45 3.02 0.18 -4.59 115.26 116.43 1uup n ASN 4156Ca -0.07 0.12 0.02 0.00 -0.03 0.00 0.00 54.58 54.62 1uup n ASN 4156Cb 0.64 1.27 0.03 0.00 -0.61 0.00 0.00 39.78 41.10 1uup n ASN 4156CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1uup n LYS 4157N -2.51 1.39 -2.50 3.52 4.76 -0.44 -5.01 118.16 117.38 1uup n LYS 4157Ca -0.08 -1.36 -0.15 0.00 -2.87 0.00 0.00 58.31 53.85 1uup n LYS 4157Cb 0.69 -0.89 -0.01 0.00 -1.84 0.00 0.00 35.03 32.99 1uup n LYS 4157CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1uup n GLN 4158N -0.47 -2.27 -0.36 1.97 3.00 -0.86 -4.81 117.38 113.57 1uup n GLN 4158Ca 0.03 0.67 0.29 0.00 -0.01 0.00 0.00 57.00 57.98 1uup n GLN 4158Cb 0.46 -5.29 0.58 0.00 0.00 0.00 0.00 30.24 25.99 1uup n GLN 4158CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1uup h LEU 4159N -0.09 0.32 -8.28 1.08 5.85 -1.45 -3.34 115.31 109.40 1uup h LEU 4159Ca -0.34 0.09 -0.25 0.00 0.84 0.00 0.00 57.88 58.21 1uup h LEU 4159Cb 1.25 0.04 -0.19 0.00 0.37 0.00 0.00 40.66 42.14 1uup h LEU 4159CO 0.40 -0.00 -0.72 -0.31 -0.34 0.00 0.00 178.44 177.47 1uup s TYR 4160N -5.36 0.76 0.22 1.25 4.12 -1.26 -4.62 117.35 112.47 1uup s TYR 4160Ca -0.08 -0.67 -0.12 0.00 0.02 0.00 0.00 57.07 56.22 1uup s TYR 4160Cb 0.26 -0.45 -0.00 0.00 -1.52 0.00 0.00 41.96 40.25 1uup s TYR 4160CO 0.81 -0.11 0.43 0.95 0.02 0.00 0.00 175.55 177.65 1uup s THR 4161N -2.31 0.02 -1.19 -0.71 -4.23 -1.25 -4.88 115.64 101.08 1uup s THR 4161Ca -0.01 -1.33 -0.19 0.00 -1.18 0.00 0.00 61.69 58.98 1uup s THR 4161Cb -0.04 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 1uup s THR 4161CO -0.02 -0.08 1.96 -3.20 -0.54 0.00 0.00 174.62 172.74 1uup n ASN 4162N -0.34 3.67 0.00 3.99 5.15 -1.26 -4.52 115.26 121.95 1uup n ASN 4162Ca -0.04 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.15 1uup n ASN 4162Cb 0.62 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.31 1uup n ASN 4162CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uup n GLY 4163N 4.90 0.11 3.58 8.20 0.00 -1.26 -4.97 105.19 115.76 1uup n GLY 4163Ca 0.49 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1uup n GLY 4163CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uup s PRO 4164N -2.00 -0.26 0.06 1.61 0.04 -1.26 -4.26 135.00 128.94 1uup s PRO 4164Ca 0.00 0.67 0.05 0.00 0.04 0.00 0.00 61.00 61.76 1uup s PRO 4164Cb 0.00 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.86 1uup s PRO 4164CO 0.00 -3.23 -0.04 0.45 0.04 0.00 0.00 177.00 174.22 1uup s SER 4165N -3.00 4.81 0.00 6.66 0.15 -1.26 -3.89 113.70 117.16 1uup s SER 4165Ca 0.67 -0.20 0.26 0.00 0.70 0.00 0.00 55.95 57.38 1uup s SER 4165Cb -0.22 -1.11 1.48 0.00 -1.71 0.00 0.00 66.02 64.47 1uup s SER 4165CO 0.61 0.21 1.96 2.29 1.20 0.00 0.00 173.24 179.52 1uup n LYS 4166N 0.91 1.11 -4.41 5.44 -0.00 -1.25 -4.76 118.16 115.19 1uup n LYS 4166Ca -0.13 -0.16 -0.30 0.00 -0.00 0.00 0.00 58.31 57.72 1uup n LYS 4166Cb 0.52 -1.42 -0.12 0.00 -0.00 0.00 0.00 35.03 34.02 1uup n LYS 4166CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1uup s TYR 4167N -1.99 2.58 -0.13 5.58 2.02 -1.26 -4.41 117.35 119.73 1uup s TYR 4167Ca 0.39 -0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.66 1uup s TYR 4167Cb 0.18 -1.40 -0.25 0.00 -0.40 0.00 0.00 41.96 40.09 1uup s TYR 4167CO 0.31 0.35 0.52 1.49 -1.57 0.00 0.00 175.55 176.65 1uup h GLU 4168N 4.00 0.16 -4.66 -0.62 4.57 -0.71 -3.43 114.58 113.89 1uup h GLU 4168Ca -0.49 -0.27 -0.24 0.00 -1.18 0.00 0.00 59.36 57.18 1uup h GLU 4168Cb 1.16 0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 29.71 1uup h GLU 4168CO 0.47 1.13 -0.67 0.95 -1.18 0.00 0.00 179.01 179.71 1uup s THR 4169N -2.41 0.55 -0.24 0.32 -4.23 -1.24 -0.27 115.64 108.11 1uup s THR 4169Ca -0.22 -1.95 -0.29 0.00 -1.18 0.00 0.00 61.69 58.06 1uup s THR 4169Cb 0.04 -1.96 0.16 0.00 1.34 0.00 0.00 72.50 72.07 1uup s THR 4169CO 0.72 -0.60 1.19 -0.83 -0.54 0.00 0.00 174.62 174.56 1uup s GLY 4170N -3.10 -0.05 -0.11 3.99 0.00 -1.26 -1.98 107.32 104.82 1uup s GLY 4170Ca 0.20 2.57 -0.29 0.00 0.00 0.00 0.00 44.72 47.21 1uup s GLY 4170CO 0.01 1.23 0.67 -2.52 0.00 0.00 0.00 173.10 172.49 1uup s TYR 4171N -0.83 -0.67 -0.13 1.90 -0.85 -0.65 -0.84 117.35 115.28 1uup s TYR 4171Ca 0.04 1.30 -0.04 0.00 -0.52 0.00 0.00 57.07 57.85 1uup s TYR 4171Cb -0.02 0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.65 1uup s TYR 4171CO -0.05 -0.54 0.02 -1.50 -1.52 0.00 0.00 175.55 171.97 1uup s ILE 4172N -0.77 4.46 -0.10 -3.49 2.07 -0.23 -1.92 121.20 121.22 1uup s ILE 4172Ca -0.08 -0.17 0.03 0.00 -1.41 0.00 0.00 60.65 59.02 1uup s ILE 4172Cb -0.02 -2.94 0.01 0.00 0.13 0.00 0.00 42.46 39.65 1uup s ILE 4172CO 0.07 0.54 -0.19 -0.75 -1.91 0.00 0.00 174.94 172.71 1uup s LYS 4173N -0.30 2.53 -0.18 3.50 2.20 0.67 -0.81 119.74 127.34 1uup s LYS 4173Ca 0.07 -0.69 -0.06 0.00 -0.36 0.00 0.00 55.97 54.93 1uup s LYS 4173Cb -0.12 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.16 1uup s LYS 4173CO 0.02 0.07 0.02 -0.06 -0.36 0.00 0.00 175.35 175.04 1uup s PHE 4174N 0.61 3.16 -0.41 4.03 0.40 0.29 -1.14 117.98 124.91 1uup s PHE 4174Ca -0.14 -0.10 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1uup s PHE 4174Cb -0.17 -2.04 0.11 0.00 0.51 0.00 0.00 43.02 41.43 1uup s PHE 4174CO 0.04 0.05 0.20 0.42 0.70 0.00 0.00 175.22 176.64 1uup s ILE 4175N 0.44 3.29 0.68 0.64 1.01 -0.44 -2.04 121.20 124.77 1uup s ILE 4175Ca 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 60.65 58.45 1uup s ILE 4175Cb -0.13 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.09 1uup s ILE 4175CO 0.01 -0.69 1.12 -2.84 0.00 0.00 0.00 174.94 172.55 1uup s PRO 4176N 1.14 2.62 0.18 2.79 0.02 -1.26 -1.76 135.00 138.73 1uup s PRO 4176Ca 0.08 1.44 -0.23 0.00 0.02 0.00 0.00 61.00 62.31 1uup s PRO 4176Cb -0.23 -1.92 0.08 0.00 0.02 0.00 0.00 34.50 32.45 1uup s PRO 4176CO -0.04 -1.40 1.58 -0.22 -0.33 0.00 0.00 177.00 176.59 1uup h LYS 4177N -0.14 -0.19 0.00 5.54 1.63 -1.93 -3.36 116.57 118.13 1uup h LYS 4177Ca -0.47 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1uup h LYS 4177Cb 1.25 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1uup h LYS 4177CO 0.53 -0.13 -0.37 0.09 -3.45 0.00 0.00 179.45 176.12 1uup n ASN 4178N -5.42 1.87 -3.83 4.20 3.02 -1.26 -5.08 115.26 108.76 1uup n ASN 4178Ca 0.03 -0.04 -0.30 0.00 -0.03 0.00 0.00 54.58 54.24 1uup n ASN 4178Cb 0.35 0.45 0.24 0.00 -0.61 0.00 0.00 39.78 40.21 1uup n ASN 4178CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1uup s LYS 4179N -0.82 -1.31 0.45 3.52 3.01 -1.26 -4.99 119.74 118.34 1uup s LYS 4179Ca 0.00 -0.01 -0.21 0.00 -1.01 0.00 0.00 55.97 54.74 1uup s LYS 4179Cb 0.00 -1.58 -0.09 0.00 -1.01 0.00 0.00 37.83 35.15 1uup s LYS 4179CO 0.00 -3.78 1.02 -1.21 0.51 0.00 0.00 175.35 171.89 1uup s GLU 4180N -5.34 3.98 0.57 1.68 2.02 -1.26 -4.51 118.70 115.84 1uup s GLU 4180Ca 0.70 1.35 -0.09 0.00 0.02 0.00 0.00 54.97 56.95 1uup s GLU 4180Cb -0.11 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1uup s GLU 4180CO 0.56 -0.27 0.95 -1.54 0.02 0.00 0.00 175.26 174.98 1uup s SER 4181N -1.91 6.24 0.10 -0.19 1.04 -1.26 -4.52 113.70 113.19 1uup s SER 4181Ca 0.64 1.25 -0.10 0.00 0.48 0.00 0.00 55.95 58.22 1uup s SER 4181Cb -0.16 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1uup s SER 4181CO 0.20 -0.77 0.23 0.72 0.98 0.00 0.00 173.24 174.60 1uup s PHE 4182N -3.03 0.14 0.10 5.02 -0.12 -0.87 -5.00 117.98 114.22 1uup s PHE 4182Ca 0.52 -0.54 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 1uup s PHE 4182Cb -0.11 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 1uup s PHE 4182CO 0.51 -0.59 -0.01 1.67 -0.05 0.00 0.00 175.22 176.75 1uup s TRP 4183N -3.87 0.81 -0.02 3.49 1.48 -1.26 -0.55 118.94 119.02 1uup s TRP 4183Ca 0.06 -1.06 0.03 0.00 -1.06 0.00 0.00 56.10 54.07 1uup s TRP 4183Cb 0.04 -0.49 -0.00 0.00 -1.16 0.00 0.00 33.47 31.86 1uup s TRP 4183CO -0.10 -0.33 -0.11 -0.06 -4.06 0.00 0.00 176.95 172.30 1uup s PHE 4184N -3.83 1.05 0.01 1.66 2.99 0.01 -4.99 117.98 114.87 1uup s PHE 4184Ca 0.15 -0.23 -0.25 0.00 0.00 0.00 0.00 56.93 56.60 1uup s PHE 4184Cb 0.07 -0.70 -0.05 0.00 0.00 0.00 0.00 43.02 42.34 1uup s PHE 4184CO -0.04 -0.06 0.76 0.34 -0.00 0.00 0.00 175.22 176.22 1uup s ASP 4185N -0.06 7.16 0.43 1.36 3.68 -1.26 -1.07 116.67 126.91 1uup s ASP 4185Ca 0.01 1.39 0.18 0.00 2.13 0.00 0.00 52.55 56.26 1uup s ASP 4185Cb -0.07 -2.46 0.97 0.00 -1.45 0.00 0.00 42.92 39.92 1uup s ASP 4185CO 0.00 -0.04 1.91 -0.26 0.13 0.00 0.00 175.17 176.91 1uup h PHE 4186N 6.07 0.00 -3.61 -5.34 0.05 -1.35 -3.44 116.94 109.32 1uup h PHE 4186Ca -0.43 0.00 -0.67 0.00 3.82 0.00 0.00 57.97 60.69 1uup h PHE 4186Cb 1.20 0.00 -0.17 0.00 2.00 0.00 0.00 35.95 38.99 1uup h PHE 4186CO 0.65 0.27 -0.73 -0.06 -0.18 0.00 0.00 178.31 178.26 1uup s PHE 4187N -4.19 2.78 0.37 -0.55 0.40 -1.26 -5.04 117.98 110.49 1uup s PHE 4187Ca -0.03 -0.13 -0.04 0.00 -0.60 0.00 0.00 56.93 56.14 1uup s PHE 4187Cb 0.14 -1.50 0.08 0.00 0.51 0.00 0.00 43.02 42.25 1uup s PHE 4187CO 0.67 0.39 0.51 -0.35 0.70 0.00 0.00 175.22 177.15 1uup n PRO 4188N 1.06 -0.18 -2.36 0.24 -0.04 -1.26 -4.68 135.00 127.77 1uup n PRO 4188Ca -0.14 -1.01 -0.33 0.00 -0.04 0.00 0.00 63.50 61.98 1uup n PRO 4188Cb 0.52 -0.46 -0.03 0.00 -0.04 0.00 0.00 33.50 33.50 1uup n PRO 4188CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uup s GLU 4189N -3.95 3.79 0.17 0.54 2.02 -1.26 -4.76 118.70 115.25 1uup s GLU 4189Ca 0.31 1.09 -0.15 0.00 0.02 0.00 0.00 54.97 56.24 1uup s GLU 4189Cb -0.01 -2.11 0.15 0.00 0.10 0.00 0.00 34.13 32.26 1uup s GLU 4189CO 0.21 -0.41 1.20 -2.30 0.02 0.00 0.00 175.26 173.98 1uup n PRO 4190N -1.53 -0.21 -3.75 0.39 -0.02 -1.26 -3.49 135.00 125.13 1uup n PRO 4190Ca 0.08 1.19 -0.38 0.00 -2.02 0.00 0.00 63.50 62.37 1uup n PRO 4190Cb 0.53 -1.76 -0.12 0.00 -0.02 0.00 0.00 33.50 32.13 1uup n PRO 4190CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1uup s GLU 4191N -5.68 2.54 0.40 -0.52 0.41 -1.26 -1.77 118.70 112.81 1uup s GLU 4191Ca -0.10 -1.30 0.05 0.00 -0.41 0.00 0.00 54.97 53.21 1uup s GLU 4191Cb 0.15 -3.49 -0.02 0.00 -1.78 0.00 0.00 34.13 28.98 1uup s GLU 4191CO 0.54 -0.75 0.17 -0.59 -0.49 0.00 0.00 175.26 174.14 1uup s PHE 4192N 1.36 1.77 -0.02 1.61 -0.12 -1.23 -5.11 117.98 116.25 1uup s PHE 4192Ca -0.00 -1.39 0.01 0.00 -0.05 0.00 0.00 56.93 55.50 1uup s PHE 4192Cb -0.20 -1.05 0.01 0.00 -0.63 0.00 0.00 43.02 41.14 1uup s PHE 4192CO 0.02 -0.45 -0.04 -0.08 -0.05 0.00 0.00 175.22 174.62 1uup s THR 4193N -3.25 0.40 0.28 -4.49 -1.32 -1.26 -5.04 115.64 100.97 1uup s THR 4193Ca 0.27 -0.15 0.03 0.00 -1.21 0.00 0.00 61.69 60.63 1uup s THR 4193Cb 0.02 -0.38 0.28 0.00 -1.51 0.00 0.00 72.50 70.91 1uup s THR 4193CO 0.17 0.15 1.70 1.56 -2.21 0.00 0.00 174.62 175.99 1uup h GLN 4194N 6.49 0.38 -0.84 7.08 4.20 -1.96 0.47 115.11 130.92 1uup h GLN 4194Ca -0.33 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 1uup h GLN 4194Cb 1.17 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.83 1uup h GLN 4194CO 0.49 0.25 0.42 1.03 -0.67 0.00 0.00 178.83 180.35 1uup h SER 4195N 0.39 1.09 -0.10 1.46 0.87 -1.96 -1.36 113.55 113.94 1uup h SER 4195Ca 0.54 -0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.86 1uup h SER 4195Cb 1.01 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1uup h SER 4195CO -0.52 0.90 -0.40 0.11 -0.53 0.00 0.00 176.83 176.39 1uup h LYS 4196N 1.20 0.45 -0.78 2.24 1.79 -1.40 -3.27 116.57 116.80 1uup h LYS 4196Ca 0.29 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1uup h LYS 4196Cb 0.09 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 1uup h LYS 4196CO -0.04 0.98 0.50 -0.92 -1.08 0.00 0.00 179.45 178.89 1uup h TYR 4197N 0.01 0.99 0.00 -1.35 3.20 -0.97 -2.47 116.97 116.38 1uup h TYR 4197Ca -0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1uup h TYR 4197Cb 1.04 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1uup h TYR 4197CO 0.12 0.64 0.00 1.28 -1.64 0.00 0.00 178.16 178.56 1uup n LEU 4198N -4.40 0.00 0.27 2.82 4.77 -0.52 -3.39 117.00 116.55 1uup n LEU 4198Ca 0.08 0.20 0.17 0.00 -0.03 0.00 0.00 56.01 56.43 1uup n LEU 4198Cb 0.04 -0.20 0.93 0.00 -2.33 0.00 0.00 43.42 41.86 1uup n LEU 4198CO 0.37 -0.05 1.04 0.24 -1.33 0.00 0.00 177.39 177.66 1uup h MET 4199N 0.00 0.00 0.00 3.23 2.86 -1.50 -1.76 114.93 117.75 1uup h MET 4199Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1uup h MET 4199Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1uup h MET 4199CO 0.00 0.00 0.08 0.44 1.06 0.00 0.00 176.91 178.49 1uup n ILE 4200N -2.73 1.17 0.81 -1.22 -5.35 -1.22 0.14 119.36 110.96 1uup n ILE 4200Ca -0.02 0.67 0.09 0.00 -0.27 0.00 0.00 62.75 63.22 1uup n ILE 4200Cb 0.10 -1.67 0.03 0.00 -1.74 0.00 0.00 39.64 36.36 1uup n ILE 4200CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1uup n TYR 4201N -1.97 0.00 -0.22 4.28 4.01 -0.66 -4.56 117.16 118.04 1uup n TYR 4201Ca -0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1uup n TYR 4201Cb 0.10 0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.46 1uup n TYR 4201CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1uup h LYS 4202N 2.64 0.78 0.00 -0.72 3.64 -0.46 -1.34 116.57 121.11 1uup h LYS 4202Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1uup h LYS 4202Cb 0.68 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1uup h LYS 4202CO 0.00 0.52 0.00 -0.40 -2.27 0.00 0.00 179.45 177.30 1uup n ASP 4203N -4.49 0.00 -1.75 4.20 5.68 -1.26 -1.45 116.55 117.48 1uup n ASP 4203Ca 0.12 0.16 -0.19 0.00 -0.50 0.00 0.00 54.79 54.38 1uup n ASP 4203Cb 0.25 -0.34 -0.06 0.00 -1.14 0.00 0.00 41.12 39.82 1uup n ASP 4203CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1uup n ASN 4204N -1.34 -5.13 -4.63 -1.12 5.15 -0.51 -4.75 115.26 102.93 1uup n ASN 4204Ca 0.07 0.37 -0.60 0.00 -0.60 0.00 0.00 54.58 53.81 1uup n ASN 4204Cb 0.15 -4.50 -0.08 0.00 -0.53 0.00 0.00 39.78 34.81 1uup n ASN 4204CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1uup n GLU 4205N -2.43 0.41 -4.44 1.20 4.07 -1.26 -4.82 120.64 113.37 1uup n GLU 4205Ca -0.20 0.15 -0.26 0.00 -0.06 0.00 0.00 57.16 56.79 1uup n GLU 4205Cb 0.64 -1.71 -0.11 0.00 -0.06 0.00 0.00 31.44 30.20 1uup n GLU 4205CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1uup s THR 4206N 1.68 2.44 0.16 6.31 -4.23 -1.26 -0.56 115.64 120.18 1uup s THR 4206Ca 0.96 -2.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1uup s THR 4206Cb -1.25 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 70.32 1uup s THR 4206CO 0.65 -0.23 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.72 1uup s LEU 4207N -3.02 2.19 -0.43 4.79 1.43 0.23 -4.83 118.68 119.03 1uup s LEU 4207Ca 0.25 -1.14 -0.25 0.00 -1.03 0.00 0.00 54.13 51.95 1uup s LEU 4207Cb -0.07 -0.07 0.02 0.00 0.03 0.00 0.00 46.19 46.11 1uup s LEU 4207CO 0.12 -0.54 0.90 -0.62 0.23 0.00 0.00 176.35 176.44 1uup s ASP 4208N -3.15 6.53 0.45 2.29 2.15 -1.26 -0.90 116.67 122.77 1uup s ASP 4208Ca 0.22 0.21 0.11 0.00 0.43 0.00 0.00 52.55 53.52 1uup s ASP 4208Cb 0.06 -2.44 1.00 0.00 -0.30 0.00 0.00 42.92 41.24 1uup s ASP 4208CO 0.02 -0.97 2.06 0.77 -0.17 0.00 0.00 175.17 176.88 1uup h SER 4209N 8.89 0.22 1.28 -0.34 4.64 -1.54 -2.30 113.55 124.40 1uup h SER 4209Ca -0.24 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1uup h SER 4209Cb 1.08 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1uup h SER 4209CO 1.00 0.22 0.00 -1.13 -0.87 0.00 0.00 176.83 176.05 1uup h ASN 4210N 0.26 0.00 0.00 4.97 -1.24 -1.89 -3.35 115.58 114.32 1uup h ASN 4210Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1uup h ASN 4210Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1uup h ASN 4210CO -0.01 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 176.48 1uup n THR 4211N -2.67 0.38 -3.69 -3.57 -2.24 -1.06 -5.08 114.28 96.34 1uup n THR 4211Ca 0.03 -0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.07 1uup n THR 4211Cb 0.37 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 1uup n THR 4211CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1uup s SER 4212N -0.38 6.47 0.25 3.42 0.01 -0.89 -3.93 113.70 118.65 1uup s SER 4212Ca 0.00 0.55 0.11 0.00 1.31 0.00 0.00 55.95 57.92 1uup s SER 4212Cb 0.00 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 1uup s SER 4212CO 0.00 0.05 -0.13 -1.10 0.41 0.00 0.00 173.24 172.47 1uup s GLN 4213N -2.71 1.91 -0.02 12.44 -0.21 -0.72 -4.94 119.66 125.41 1uup s GLN 4213Ca 0.40 -1.55 0.02 0.00 0.02 0.00 0.00 55.36 54.25 1uup s GLN 4213Cb -0.12 -1.96 0.01 0.00 1.00 0.00 0.00 33.01 31.93 1uup s GLN 4213CO 0.25 0.37 -0.06 0.42 -2.12 0.00 0.00 175.29 174.15 1uup s ILE 4214N -2.22 0.56 -0.03 1.08 1.01 -1.26 -1.33 121.20 119.01 1uup s ILE 4214Ca 0.28 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.72 1uup s ILE 4214Cb -0.06 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.90 1uup s ILE 4214CO 0.16 0.19 -0.04 -1.61 0.00 0.00 0.00 174.94 173.64 1uup s GLU 4215N 0.33 0.66 0.02 2.79 2.02 -0.30 -2.45 118.70 121.77 1uup s GLU 4215Ca -0.04 -0.11 0.07 0.00 0.02 0.00 0.00 54.97 54.91 1uup s GLU 4215Cb -0.08 -0.68 -0.03 0.00 0.10 0.00 0.00 34.13 33.44 1uup s GLU 4215CO 0.00 -0.03 -0.21 0.08 0.02 0.00 0.00 175.26 175.12 1uup s VAL 4216N 0.63 2.55 -0.08 2.63 1.01 -0.27 -0.24 120.40 126.63 1uup s VAL 4216Ca -0.08 -1.15 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 1uup s VAL 4216Cb -0.11 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1uup s VAL 4216CO -0.00 0.42 -0.04 -0.31 0.00 0.00 0.00 175.10 175.17 1uup s TYR 4217N -0.82 1.01 0.16 5.22 2.02 -0.81 -0.98 117.35 123.16 1uup s TYR 4217Ca 0.13 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.52 1uup s TYR 4217Cb -0.10 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 1uup s TYR 4217CO 0.03 -0.36 -0.18 -0.51 -1.57 0.00 0.00 175.55 172.96 1uup s LEU 4218N 1.58 2.44 0.04 -1.29 1.43 0.37 -1.63 118.68 121.62 1uup s LEU 4218Ca 0.00 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.28 1uup s LEU 4218Cb -0.13 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 1uup s LEU 4218CO -0.05 -0.05 -0.13 0.42 0.23 0.00 0.00 176.35 176.77 1uup s THR 4219N -2.11 1.02 0.00 5.49 -4.23 -0.84 0.22 115.64 115.20 1uup s THR 4219Ca 0.16 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1uup s THR 4219Cb -0.05 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1uup s THR 4219CO 0.06 -0.03 0.00 0.35 -0.54 0.00 0.00 174.62 174.47 1uup n THR 4220N 1.91 0.00 -0.52 3.99 -2.24 -1.26 -0.17 114.28 115.99 1uup n THR 4220Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1uup n THR 4220Cb 0.55 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1uup n THR 4220CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67