#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y60 n LYS 4003N 0.00 0.62 -3.16 0.00 4.81 -1.26 -4.66 118.16 114.51 1y60 n LYS 4003Ca 0.00 0.47 -0.45 0.00 -0.87 0.00 0.00 58.31 57.46 1y60 n LYS 4003Cb 0.00 -1.72 -0.00 0.00 0.02 0.00 0.00 35.03 33.33 1y60 n LYS 4003CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1y60 s ILE 4004N -2.43 5.50 -2.54 3.15 1.01 -1.26 -4.79 121.20 119.85 1y60 s ILE 4004Ca -0.28 -2.88 0.26 0.00 0.00 0.00 0.00 60.65 57.75 1y60 s ILE 4004Cb 0.07 -4.72 0.32 0.00 0.01 0.00 0.00 42.46 38.14 1y60 s ILE 4004CO 0.63 -1.35 1.48 0.35 0.00 0.00 0.00 174.94 176.04 1y60 n THR 4005N 3.78 0.00 -4.06 2.92 -2.24 -1.26 -4.36 114.28 109.06 1y60 n THR 4005Ca 0.27 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 1y60 n THR 4005Cb 0.42 0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 69.50 1y60 n THR 4005CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1y60 s LYS 4006N -2.11 1.21 0.21 -0.78 -2.85 -1.26 -4.82 119.74 109.34 1y60 s LYS 4006Ca 0.31 -1.34 -0.30 0.00 -1.00 0.00 0.00 55.97 53.63 1y60 s LYS 4006Cb 0.20 0.35 -0.10 0.00 -2.06 0.00 0.00 37.83 36.22 1y60 s LYS 4006CO 0.37 -0.43 1.45 0.08 0.10 0.00 0.00 175.35 176.92 1y60 s VAL 4007N -4.04 2.76 0.07 1.79 1.01 -1.26 -4.61 120.40 116.12 1y60 s VAL 4007Ca 0.25 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.88 1y60 s VAL 4007Cb 0.04 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1y60 s VAL 4007CO 0.05 0.08 -0.12 -1.10 0.00 0.00 0.00 175.10 174.01 1y60 s GLN 4008N 0.15 0.76 -0.07 2.72 -1.52 -0.11 -4.99 119.66 116.60 1y60 s GLN 4008Ca 0.62 -0.94 0.04 0.00 -1.95 0.00 0.00 55.36 53.13 1y60 s GLN 4008Cb -0.41 -0.68 -0.01 0.00 -0.22 0.00 0.00 33.01 31.69 1y60 s GLN 4008CO 0.39 0.14 -0.21 0.08 -0.25 0.00 0.00 175.29 175.44 1y60 s VAL 4009N -1.46 2.41 0.20 1.09 1.01 -1.26 -1.27 120.40 121.11 1y60 s VAL 4009Ca -0.03 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.10 1y60 s VAL 4009Cb -0.09 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1y60 s VAL 4009CO 0.02 0.56 -0.14 -0.83 0.00 0.00 0.00 175.10 174.71 1y60 s GLY 4010N -0.12 1.39 -0.01 4.51 0.00 0.12 -4.30 107.32 108.92 1y60 s GLY 4010Ca -0.04 -1.63 -0.23 0.00 0.00 0.00 0.00 44.72 42.83 1y60 s GLY 4010CO 0.04 -1.72 0.50 1.85 0.00 0.00 0.00 173.10 173.77 1y60 s GLU 4011N -3.55 0.92 -0.27 2.90 -6.30 -1.26 -0.76 118.70 110.38 1y60 s GLU 4011Ca 0.21 -0.05 -0.26 0.00 -2.50 0.00 0.00 54.97 52.37 1y60 s GLU 4011Cb -0.01 0.42 0.14 0.00 0.00 0.00 0.00 34.13 34.68 1y60 s GLU 4011CO 0.06 -0.29 1.12 0.00 0.02 0.00 0.00 175.26 176.17 1y60 s ALA 4012N -1.64 -2.02 -0.14 6.30 0.00 -0.85 -4.50 121.76 118.91 1y60 s ALA 4012Ca -0.10 1.80 0.01 0.00 0.00 0.00 0.00 51.96 53.67 1y60 s ALA 4012Cb -0.02 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.68 1y60 s ALA 4012CO 0.04 -0.22 -0.17 -1.17 0.00 0.00 0.00 175.76 174.24 1y60 s LEU 4013N -0.02 2.40 -0.00 0.00 0.20 -1.26 -0.78 118.68 119.22 1y60 s LEU 4013Ca 0.04 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.39 1y60 s LEU 4013Cb -0.04 -1.53 -0.00 0.00 -0.43 0.00 0.00 46.19 44.19 1y60 s LEU 4013CO -0.07 0.11 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.38 1y60 s VAL 4014N 0.65 0.29 0.00 1.68 1.01 -0.09 -5.00 120.40 118.93 1y60 s VAL 4014Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1y60 s VAL 4014Cb -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1y60 s VAL 4014CO 0.02 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1y60 n GLY 4015N 3.03 -1.28 2.85 4.51 0.00 -1.26 -0.77 105.19 112.27 1y60 n GLY 4015Ca -0.13 -2.13 -0.06 0.00 0.00 0.00 0.00 46.02 43.70 1y60 n GLY 4015CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y60 n ASP 4016N 0.00 -1.68 -0.10 1.61 5.68 -1.26 -4.83 116.55 115.96 1y60 n ASP 4016Ca 0.00 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 1y60 n ASP 4016Cb 0.00 2.80 0.00 0.00 -1.14 0.00 0.00 41.12 42.78 1y60 n ASP 4016CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y60 n GLY 4017N -0.42 -0.16 0.08 6.12 0.00 -1.26 -2.76 105.19 106.79 1y60 n GLY 4017Ca -0.06 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.06 1y60 n GLY 4017CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y60 n ASN 4018N -1.85 0.54 -0.67 1.61 3.02 -1.26 -3.13 115.26 113.52 1y60 n ASN 4018Ca 0.00 0.57 0.12 0.00 -0.03 0.00 0.00 54.58 55.24 1y60 n ASN 4018Cb 0.00 -0.71 0.36 0.00 -0.61 0.00 0.00 39.78 38.82 1y60 n ASN 4018CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y60 n GLU 4019N -2.03 1.90 -1.55 3.52 4.71 -1.23 -3.83 120.64 122.14 1y60 n GLU 4019Ca 0.05 -1.34 -0.47 0.00 -0.01 0.00 0.00 57.16 55.40 1y60 n GLU 4019Cb 0.35 -1.45 -0.03 0.00 -1.01 0.00 0.00 31.44 29.31 1y60 n GLU 4019CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1y60 n VAL 4020N 0.58 1.67 -4.28 2.62 3.14 -1.11 -4.54 118.33 116.41 1y60 n VAL 4020Ca 0.17 -0.42 -0.33 0.00 -2.96 0.00 0.00 64.34 60.81 1y60 n VAL 4020Cb 0.41 -0.75 -0.09 0.00 -1.06 0.00 0.00 33.84 32.36 1y60 n VAL 4020CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1y60 s ALA 4021N -0.80 3.29 -0.12 1.55 0.00 0.05 -4.71 121.76 121.02 1y60 s ALA 4021Ca 0.64 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 1y60 s ALA 4021Cb -0.79 -1.35 0.06 0.00 0.00 0.00 0.00 23.12 21.03 1y60 s ALA 4021CO 0.57 0.65 0.15 -1.58 0.00 0.00 0.00 175.76 175.55 1y60 s HIS 4022N -1.09 -0.12 -0.12 0.00 2.46 -1.26 -0.92 115.29 114.24 1y60 s HIS 4022Ca 0.20 0.36 -0.02 0.00 0.47 0.00 0.00 55.06 56.06 1y60 s HIS 4022Cb -0.12 -0.37 -0.03 0.00 -0.13 0.00 0.00 32.58 31.94 1y60 s HIS 4022CO 0.10 -0.37 -0.04 0.42 -2.47 0.00 0.00 174.74 172.38 1y60 s ILE 4023N 2.27 3.91 -0.16 0.89 -1.09 0.04 -3.00 121.20 124.06 1y60 s ILE 4023Ca 0.04 -0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.09 1y60 s ILE 4023Cb -0.13 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 38.08 1y60 s ILE 4023CO -0.07 0.54 -0.17 -1.81 -1.23 0.00 0.00 174.94 172.20 1y60 s ASP 4024N -0.19 3.51 0.02 3.58 -0.00 -1.01 -2.01 116.67 120.56 1y60 s ASP 4024Ca 0.03 -0.52 0.01 0.00 -0.00 0.00 0.00 52.55 52.08 1y60 s ASP 4024Cb -0.13 -1.54 -0.01 0.00 -0.00 0.00 0.00 42.92 41.24 1y60 s ASP 4024CO 0.02 0.07 -0.04 -0.22 -0.00 0.00 0.00 175.17 175.00 1y60 s LEU 4025N 0.90 2.14 -0.01 1.23 0.20 0.06 -0.44 118.68 122.76 1y60 s LEU 4025Ca -0.04 -0.30 0.05 0.00 0.69 0.00 0.00 54.13 54.53 1y60 s LEU 4025Cb -0.15 -0.08 -0.01 0.00 -0.43 0.00 0.00 46.19 45.52 1y60 s LEU 4025CO -0.02 -0.12 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.12 1y60 s ILE 4026N -0.79 1.31 0.01 6.68 1.01 -0.16 0.16 121.20 129.43 1y60 s ILE 4026Ca -0.07 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1y60 s ILE 4026Cb -0.06 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1y60 s ILE 4026CO -0.00 0.35 -0.04 -0.51 0.00 0.00 0.00 174.94 174.73 1y60 s ILE 4027N -0.43 0.28 -0.04 2.92 2.07 -0.40 -0.24 121.20 125.36 1y60 s ILE 4027Ca 0.06 -0.42 -0.30 0.00 -1.41 0.00 0.00 60.65 58.58 1y60 s ILE 4027Cb -0.07 -0.29 0.11 0.00 0.13 0.00 0.00 42.46 42.34 1y60 s ILE 4027CO -0.00 -0.09 0.95 -0.83 -1.91 0.00 0.00 174.94 173.05 1y60 s GLY 4028N -0.55 -0.43 0.80 1.50 0.00 -0.78 -0.93 107.32 106.93 1y60 s GLY 4028Ca -0.03 1.14 -0.11 0.00 0.00 0.00 0.00 44.72 45.71 1y60 s GLY 4028CO -0.00 0.39 1.16 2.56 0.00 0.00 0.00 173.10 177.21 1y60 s PRO 4029N -2.95 1.90 0.42 2.90 0.04 -1.26 -0.84 135.00 135.21 1y60 s PRO 4029Ca 0.06 -0.01 -0.25 0.00 0.04 0.00 0.00 61.00 60.84 1y60 s PRO 4029Cb -0.01 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1y60 s PRO 4029CO -0.08 -1.60 1.18 -2.13 0.04 0.00 0.00 177.00 174.41 1y60 n ARG 4030N -3.28 1.71 -0.37 4.56 0.63 -0.86 -1.69 116.66 117.35 1y60 n ARG 4030Ca 0.09 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1y60 n ARG 4030Cb 0.61 -2.27 0.00 0.00 0.45 0.00 0.00 32.46 31.25 1y60 n ARG 4030CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1y60 n GLY 4031N 0.94 1.66 3.95 5.14 0.00 -1.26 -5.03 105.19 110.59 1y60 n GLY 4031Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1y60 n GLY 4031CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y60 s SER 4032N -3.30 5.21 0.48 1.61 1.04 -0.68 -5.00 113.70 113.06 1y60 s SER 4032Ca 0.00 -0.71 0.33 0.00 0.48 0.00 0.00 55.95 56.05 1y60 s SER 4032Cb 0.00 -0.35 1.66 0.00 0.10 0.00 0.00 66.02 67.42 1y60 s SER 4032CO 0.00 -0.85 1.99 -0.65 0.98 0.00 0.00 173.24 174.71 1y60 h PRO 4033N 0.73 0.00 -0.56 4.02 0.11 -1.96 -1.27 132.00 133.08 1y60 h PRO 4033Ca -0.39 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 1y60 h PRO 4033Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1y60 h PRO 4033CO 0.51 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.29 1y60 h ALA 4034N 2.04 0.94 -0.32 -0.75 0.00 -1.89 -1.29 119.26 117.99 1y60 h ALA 4034Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1y60 h ALA 4034Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1y60 h ALA 4034CO 0.00 0.63 -0.35 1.49 0.00 0.00 0.00 179.25 181.03 1y60 h GLU 4035N 0.88 0.72 -0.09 0.00 4.81 -1.43 -0.72 114.58 118.74 1y60 h GLU 4035Ca 0.16 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1y60 h GLU 4035Cb 0.52 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1y60 h GLU 4035CO 0.03 0.95 -0.01 1.15 -0.73 0.00 0.00 179.01 180.40 1y60 h THR 4036N 0.60 1.26 -0.10 0.32 2.02 -1.40 -2.22 112.91 113.40 1y60 h THR 4036Ca 0.06 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 1y60 h THR 4036Cb 0.87 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1y60 h THR 4036CO 0.08 0.24 -0.28 0.00 0.37 0.00 0.00 175.52 175.92 1y60 h ALA 4037N 0.71 1.35 0.22 6.16 0.00 -1.20 0.63 119.26 127.13 1y60 h ALA 4037Ca 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1y60 h ALA 4037Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1y60 h ALA 4037CO 0.01 0.46 -0.12 0.35 0.00 0.00 0.00 179.25 179.95 1y60 h PHE 4038N 0.16 -0.30 -0.27 0.00 3.57 -1.00 0.17 116.94 119.27 1y60 h PHE 4038Ca 0.02 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1y60 h PHE 4038Cb 0.59 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1y60 h PHE 4038CO 0.01 -0.19 0.03 0.00 -2.23 0.00 0.00 178.31 175.93 1y60 h ASN 4040N 0.26 0.28 -0.13 0.00 2.35 -0.88 -3.04 115.58 114.43 1y60 h ASN 4040Ca 0.08 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.62 1y60 h ASN 4040Cb 0.36 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.66 1y60 h ASN 4040CO 0.01 0.42 -0.51 1.23 -1.65 0.00 0.00 177.43 176.92 1y60 h GLY 4041N 0.75 0.63 1.08 2.83 0.00 -0.49 -3.26 103.07 104.62 1y60 h GLY 4041Ca 0.06 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 1y60 h GLY 4041CO 0.02 0.77 0.38 -2.00 0.00 0.00 0.00 176.54 175.71 1y60 h LEU 4042N 0.20 1.07 -0.16 3.11 5.85 -1.19 -2.97 115.31 121.22 1y60 h LEU 4042Ca -0.03 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1y60 h LEU 4042Cb 1.15 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1y60 h LEU 4042CO 0.11 0.91 0.00 1.33 -0.34 0.00 0.00 178.44 180.45 1y60 n VAL 4043N -4.30 0.56 -3.61 1.05 0.24 -1.18 -4.63 118.33 106.47 1y60 n VAL 4043Ca 0.08 -0.05 -0.39 0.00 -2.04 0.00 0.00 64.34 61.94 1y60 n VAL 4043Cb 0.15 -0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 31.70 1y60 n VAL 4043CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1y60 s ASN 4044N -3.96 5.66 0.08 -1.34 2.47 -1.12 -5.06 114.94 111.66 1y60 s ASN 4044Ca 0.10 -2.67 0.03 0.00 0.42 0.00 0.00 52.86 50.73 1y60 s ASN 4044Cb 0.13 -1.96 -0.04 0.00 -1.45 0.00 0.00 41.25 37.93 1y60 s ASN 4044CO 0.50 -0.46 0.08 0.20 -3.72 0.00 0.00 177.10 173.70 1y60 s ASN 4045N 1.33 5.54 0.16 -4.21 0.02 -1.26 -4.72 114.94 111.80 1y60 s ASN 4045Ca 0.15 -0.00 -0.01 0.00 -1.02 0.00 0.00 52.86 51.98 1y60 s ASN 4045Cb -0.19 -1.49 -0.04 0.00 0.02 0.00 0.00 41.25 39.55 1y60 s ASN 4045CO -0.04 0.17 0.08 -0.54 0.02 0.00 0.00 177.10 176.79 1y60 s LYS 4046N -2.38 1.04 0.17 -0.60 1.02 -0.37 -5.02 119.74 113.60 1y60 s LYS 4046Ca 0.29 -1.52 -0.31 0.00 0.02 0.00 0.00 55.97 54.45 1y60 s LYS 4046Cb -0.12 0.24 -0.11 0.00 -0.52 0.00 0.00 37.83 37.32 1y60 s LYS 4046CO 0.22 -0.31 1.79 -1.58 -0.92 0.00 0.00 175.35 174.55 1y60 s HIS 4047N -4.08 2.48 0.00 3.18 5.65 -1.26 -1.23 115.29 120.03 1y60 s HIS 4047Ca 0.30 0.13 0.00 0.00 0.25 0.00 0.00 55.06 55.74 1y60 s HIS 4047Cb 0.07 -4.17 0.00 0.00 -1.18 0.00 0.00 32.58 27.30 1y60 s HIS 4047CO 0.06 -4.67 0.00 0.41 -0.65 0.00 0.00 174.74 169.89 1y60 n GLY 4048N 4.13 2.28 2.59 1.59 0.00 -1.26 -4.95 105.19 109.57 1y60 n GLY 4048Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1y60 n GLY 4048CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y60 s PHE 4049N -2.74 0.22 -0.08 1.61 0.40 -0.37 -1.84 117.98 115.18 1y60 s PHE 4049Ca 0.00 -1.00 0.03 0.00 -0.60 0.00 0.00 56.93 55.36 1y60 s PHE 4049Cb 0.00 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 1y60 s PHE 4049CO 0.00 -0.87 -0.16 0.99 0.70 0.00 0.00 175.22 175.88 1y60 s THR 4050N 1.70 2.86 -0.11 0.64 2.01 -1.26 -1.24 115.64 120.25 1y60 s THR 4050Ca 0.13 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1y60 s THR 4050Cb -0.18 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1y60 s THR 4050CO -0.18 0.56 0.06 -0.44 -0.69 0.00 0.00 174.62 173.93 1y60 s SER 4051N -0.23 5.70 0.09 3.53 0.01 -1.26 -4.59 113.70 116.94 1y60 s SER 4051Ca 0.00 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1y60 s SER 4051Cb -0.13 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 1y60 s SER 4051CO 0.03 0.37 -0.03 -0.76 0.41 0.00 0.00 173.24 173.27 1y60 s LEU 4052N -0.84 2.36 0.35 2.44 1.43 -0.84 -4.87 118.68 118.72 1y60 s LEU 4052Ca 0.13 -1.05 -0.28 0.00 -1.03 0.00 0.00 54.13 51.91 1y60 s LEU 4052Cb -0.12 0.09 -0.09 0.00 0.03 0.00 0.00 46.19 46.10 1y60 s LEU 4052CO 0.03 -0.57 1.23 -0.76 0.23 0.00 0.00 176.35 176.51 1y60 s LEU 4053N -3.00 4.36 0.06 1.79 1.43 -1.26 -0.76 118.68 121.30 1y60 s LEU 4053Ca 0.13 2.52 -0.30 0.00 -1.03 0.00 0.00 54.13 55.45 1y60 s LEU 4053Cb 0.07 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 1y60 s LEU 4053CO -0.05 -0.55 1.00 0.00 0.23 0.00 0.00 176.35 176.98 1y60 s ALA 4054N -1.23 3.23 0.01 4.21 0.00 0.78 -4.84 121.76 123.92 1y60 s ALA 4054Ca 0.51 0.60 0.04 0.00 0.00 0.00 0.00 51.96 53.12 1y60 s ALA 4054Cb -0.36 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 1y60 s ALA 4054CO 0.47 -0.17 -0.13 0.14 0.00 0.00 0.00 175.76 176.07 1y60 s VAL 4055N 0.53 1.05 0.25 0.00 -7.23 -1.26 -2.91 120.40 110.83 1y60 s VAL 4055Ca 0.50 -0.74 -0.03 0.00 -1.81 0.00 0.00 61.98 59.91 1y60 s VAL 4055Cb -0.23 -0.91 0.09 0.00 0.56 0.00 0.00 36.38 35.89 1y60 s VAL 4055CO 0.29 0.17 1.73 0.40 -0.31 0.00 0.00 175.10 177.38 1y60 h ILE 4056N 4.69 1.25 -2.58 -0.62 2.04 -1.42 -3.38 117.51 117.49 1y60 h ILE 4056Ca -0.35 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 64.48 1y60 h ILE 4056Cb 1.17 0.96 -0.13 0.00 -0.74 0.00 0.00 36.82 38.08 1y60 h ILE 4056CO 0.47 0.38 0.38 0.00 0.00 0.00 0.00 178.15 179.37 1y60 s ALA 4057N -4.89 -1.71 0.33 1.87 0.00 -1.17 -4.75 121.76 111.44 1y60 s ALA 4057Ca -0.09 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 1y60 s ALA 4057Cb 0.14 0.62 -0.12 0.00 0.00 0.00 0.00 23.12 23.76 1y60 s ALA 4057CO 0.82 -0.75 1.33 -2.30 0.00 0.00 0.00 175.76 174.85 1y60 n PRO 4058N -0.32 2.17 -1.00 0.00 -0.02 -1.26 -0.37 135.00 134.20 1y60 n PRO 4058Ca -0.12 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1y60 n PRO 4058Cb 0.63 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1y60 n PRO 4058CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1y60 n ASN 4059N 1.03 -3.63 -3.09 2.55 3.02 -1.26 -4.92 115.26 108.96 1y60 n ASN 4059Ca 0.06 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 1y60 n ASN 4059Cb 0.35 -1.23 -0.04 0.00 -0.61 0.00 0.00 39.78 38.25 1y60 n ASN 4059CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1y60 n LEU 4060N 0.00 -1.11 -4.79 3.41 7.94 0.50 -5.12 117.00 117.83 1y60 n LEU 4060Ca 0.00 -4.09 -0.33 0.00 -1.11 0.00 0.00 56.01 50.48 1y60 n LEU 4060Cb 0.12 0.68 0.03 0.00 0.53 0.00 0.00 43.42 44.78 1y60 n LEU 4060CO 0.00 1.99 0.72 -2.16 -1.11 0.00 0.00 177.39 176.83 1y60 s PRO 4061N -0.21 3.05 0.51 1.96 0.04 -1.26 -1.15 135.00 137.94 1y60 s PRO 4061Ca 0.33 1.25 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 1y60 s PRO 4061Cb 0.13 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 1y60 s PRO 4061CO -0.15 -1.03 0.96 0.00 0.04 0.00 0.00 177.00 176.82 1y60 s LYS 4063N -4.16 0.91 0.47 0.00 -0.14 -1.26 -3.92 119.74 111.63 1y60 s LYS 4063Ca 0.58 -0.19 -0.23 0.00 -1.36 0.00 0.00 55.97 54.76 1y60 s LYS 4063Cb -0.10 -0.86 -0.09 0.00 -1.68 0.00 0.00 37.83 35.10 1y60 s LYS 4063CO 0.34 0.00 1.03 -0.35 -0.76 0.00 0.00 175.35 175.61 1y60 n PRO 4064N 3.71 1.31 -1.59 -1.68 -0.04 -1.15 -4.72 135.00 130.85 1y60 n PRO 4064Ca -0.22 0.48 -0.52 0.00 -0.04 0.00 0.00 63.50 63.20 1y60 n PRO 4064Cb 0.52 -2.13 -0.06 0.00 -0.04 0.00 0.00 33.50 31.80 1y60 n PRO 4064CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1y60 n ASN 4065N 0.12 1.68 -4.01 3.54 3.02 -1.23 -4.70 115.26 113.67 1y60 n ASN 4065Ca 0.10 1.12 -0.24 0.00 -0.03 0.00 0.00 54.58 55.53 1y60 n ASN 4065Cb 0.42 -1.20 -0.17 0.00 -0.61 0.00 0.00 39.78 38.22 1y60 n ASN 4065CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1y60 s THR 4066N 0.48 1.05 -0.16 3.41 2.01 -1.26 -0.97 115.64 120.19 1y60 s THR 4066Ca 0.84 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 62.35 1y60 s THR 4066Cb -0.95 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1y60 s THR 4066CO 0.47 0.33 0.05 -0.22 -0.69 0.00 0.00 174.62 174.56 1y60 s LEU 4067N 0.68 3.78 -0.06 4.42 2.96 0.65 -0.16 118.68 130.95 1y60 s LEU 4067Ca -0.14 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1y60 s LEU 4067Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1y60 s LEU 4067CO 0.03 0.23 -0.11 -0.04 -1.32 0.00 0.00 176.35 175.14 1y60 s MET 4068N 0.03 2.68 -0.01 1.98 -1.94 0.06 -0.27 119.30 121.83 1y60 s MET 4068Ca 0.05 -0.64 -0.03 0.00 -1.71 0.00 0.00 55.69 53.36 1y60 s MET 4068Cb -0.12 -2.48 0.00 0.00 2.01 0.00 0.00 34.83 34.23 1y60 s MET 4068CO 0.01 0.60 0.07 -0.59 -0.01 0.00 0.00 175.02 175.11 1y60 s PHE 4069N -0.67 0.02 0.31 -0.03 -0.12 -0.35 -1.98 117.98 115.15 1y60 s PHE 4069Ca 0.10 -0.03 -0.06 0.00 -0.05 0.00 0.00 56.93 56.89 1y60 s PHE 4069Cb -0.11 -0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.19 1y60 s PHE 4069CO 0.01 -0.14 0.59 0.54 -0.05 0.00 0.00 175.22 176.18 1y60 s ASN 4070N -0.63 6.46 -0.23 1.98 4.22 -1.26 -1.09 114.94 124.39 1y60 s ASN 4070Ca -0.07 0.79 0.09 0.00 -2.14 0.00 0.00 52.86 51.53 1y60 s ASN 4070Cb -0.04 -2.18 -0.20 0.00 1.28 0.00 0.00 41.25 40.11 1y60 s ASN 4070CO 0.00 -0.23 -0.10 0.29 -2.04 0.00 0.00 177.10 175.02 1y60 n LYS 4071N -0.99 0.68 -3.44 3.55 5.02 -0.71 -4.84 118.16 117.42 1y60 n LYS 4071Ca -0.01 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 55.99 1y60 n LYS 4071Cb 0.54 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1y60 n LYS 4071CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y60 s VAL 4072N -2.50 5.25 0.09 -0.18 1.01 -1.26 -5.02 120.40 117.79 1y60 s VAL 4072Ca -0.24 0.69 -0.37 0.00 0.00 0.00 0.00 61.98 62.07 1y60 s VAL 4072Cb 0.08 -3.70 -0.17 0.00 0.00 0.00 0.00 36.38 32.59 1y60 s VAL 4072CO 0.70 0.34 1.36 0.41 0.00 0.00 0.00 175.10 177.90 1y60 n THR 4073N 3.81 0.00 -3.35 3.92 -1.04 -1.26 -4.92 114.28 111.45 1y60 n THR 4073Ca -0.10 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 1y60 n THR 4073Cb 0.52 -0.87 -0.09 0.00 -1.82 0.00 0.00 70.33 68.07 1y60 n THR 4073CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1y60 s ILE 4074N 0.51 5.12 -0.10 12.58 1.01 -0.77 -4.92 121.20 134.64 1y60 s ILE 4074Ca 0.84 -0.42 0.22 0.00 0.00 0.00 0.00 60.65 61.30 1y60 s ILE 4074Cb -0.94 -4.02 -0.32 0.00 0.01 0.00 0.00 42.46 37.20 1y60 s ILE 4074CO 0.46 -0.40 0.53 0.59 0.00 0.00 0.00 174.94 176.12 1y60 n ASN 4075N 5.52 0.10 -3.42 3.58 3.02 -1.26 -4.21 115.26 118.59 1y60 n ASN 4075Ca -0.08 -0.04 -0.16 0.00 -0.03 0.00 0.00 54.58 54.27 1y60 n ASN 4075Cb 0.47 1.86 -0.06 0.00 -0.61 0.00 0.00 39.78 41.44 1y60 n ASN 4075CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1y60 s ASP 4076N -4.47 1.12 0.32 6.41 3.84 -1.26 -5.05 116.67 117.58 1y60 s ASP 4076Ca -0.07 -1.57 0.03 0.00 -0.00 0.00 0.00 52.55 50.95 1y60 s ASP 4076Cb 0.14 0.59 0.55 0.00 -1.38 0.00 0.00 42.92 42.82 1y60 s ASP 4076CO 0.90 -1.15 1.84 0.00 -0.00 0.00 0.00 175.17 176.77 1y60 h ALA 4077N 2.18 1.31 -0.33 2.11 0.00 -1.99 -2.26 119.26 120.28 1y60 h ALA 4077Ca -0.28 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.44 1y60 h ALA 4077Cb 1.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1y60 h ALA 4077CO 0.39 0.47 0.14 -0.09 0.00 0.00 0.00 179.25 180.16 1y60 h ARG 4078N 0.52 0.29 -0.55 0.00 2.43 -1.99 -0.25 114.38 114.82 1y60 h ARG 4078Ca 0.11 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 1y60 h ARG 4078Cb 0.38 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1y60 h ARG 4078CO 0.02 0.19 -0.09 1.96 -1.51 0.00 0.00 179.97 180.54 1y60 h GLN 4079N 0.30 1.03 -0.59 0.20 4.20 -1.94 -2.44 115.11 115.87 1y60 h GLN 4079Ca 0.14 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1y60 h GLN 4079Cb 0.08 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1y60 h GLN 4079CO -0.12 1.05 0.32 0.00 -0.67 0.00 0.00 178.83 179.41 1y60 h ALA 4080N 0.97 0.75 -0.15 3.87 0.00 -0.98 -1.65 119.26 122.08 1y60 h ALA 4080Ca 0.15 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1y60 h ALA 4080Cb 0.65 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1y60 h ALA 4080CO 0.04 0.27 -0.45 0.28 0.00 0.00 0.00 179.25 179.40 1y60 h VAL 4081N 0.80 1.32 0.02 0.00 2.07 -1.00 0.21 116.25 119.67 1y60 h VAL 4081Ca 0.21 -1.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 1y60 h VAL 4081Cb 0.05 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1y60 h VAL 4081CO -0.03 0.50 -0.01 1.56 0.02 0.00 0.00 177.57 179.60 1y60 h GLN 4082N 0.29 -0.03 -0.17 1.57 4.20 -1.18 0.31 115.11 120.10 1y60 h GLN 4082Ca 0.02 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1y60 h GLN 4082Cb 0.91 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 1y60 h GLN 4082CO 0.08 0.23 0.03 1.98 -0.67 0.00 0.00 178.83 180.48 1y60 h MET 4083N -0.29 0.10 -0.90 1.46 4.05 -1.21 -2.23 114.93 115.92 1y60 h MET 4083Ca -0.00 -0.01 -0.58 0.00 -0.28 0.00 0.00 59.70 58.83 1y60 h MET 4083Cb 0.27 -0.02 -0.30 0.00 -0.80 0.00 0.00 31.60 30.75 1y60 h MET 4083CO 0.01 0.06 0.48 1.19 0.23 0.00 0.00 176.91 178.88 1y60 n PHE 4084N -5.09 2.91 0.00 1.39 3.01 0.05 -1.67 117.46 118.07 1y60 n PHE 4084Ca -0.03 -2.53 0.00 0.00 1.01 0.00 0.00 57.45 55.90 1y60 n PHE 4084Cb 0.08 -1.09 0.00 0.00 -0.01 0.00 0.00 39.48 38.46 1y60 n PHE 4084CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y60 n GLY 4085N -0.96 1.47 0.22 1.37 0.00 0.11 -4.77 105.19 102.63 1y60 n GLY 4085Ca 0.57 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 1y60 n GLY 4085CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y60 h PRO 4086N 0.00 0.68 -0.21 1.61 0.13 -1.67 -0.18 132.00 132.36 1y60 h PRO 4086Ca 0.00 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1y60 h PRO 4086Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 30.97 1y60 h PRO 4086CO 0.00 0.45 -0.03 0.00 -0.23 0.00 0.00 178.00 178.19 1y60 h ALA 4087N 1.19 0.28 -0.18 -0.56 0.00 -1.56 -0.54 119.26 117.91 1y60 h ALA 4087Ca 0.19 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1y60 h ALA 4087Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1y60 h ALA 4087CO -0.05 0.04 -0.00 0.37 0.00 0.00 0.00 179.25 179.61 1y60 h GLN 4088N 0.13 0.05 -0.44 0.00 4.15 -1.13 0.30 115.11 118.17 1y60 h GLN 4088Ca 0.06 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.51 1y60 h GLN 4088Cb 0.46 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 1y60 h GLN 4088CO 0.02 0.04 0.22 1.25 -1.93 0.00 0.00 178.83 178.43 1y60 h HIS 4089N 0.05 0.41 -0.26 3.99 2.76 -0.99 0.70 115.15 121.81 1y60 h HIS 4089Ca 0.08 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1y60 h HIS 4089Cb 0.10 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 1y60 h HIS 4089CO -0.17 0.21 0.14 0.78 -1.30 0.00 0.00 177.93 177.60 1y60 h GLY 4090N 0.45 0.35 0.97 5.26 0.00 -0.34 0.53 103.07 110.28 1y60 h GLY 4090Ca 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1y60 h GLY 4090CO -0.13 0.09 0.06 -2.08 0.00 0.00 0.00 176.54 174.48 1y60 h VAL 4091N 0.29 1.05 -0.73 4.60 2.07 -0.06 -1.35 116.25 122.12 1y60 h VAL 4091Ca 0.10 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1y60 h VAL 4091Cb 0.02 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1y60 h VAL 4091CO -0.06 0.05 0.35 0.00 0.02 0.00 0.00 177.57 177.93 1y60 h ALA 4092N 1.00 0.94 -0.28 1.67 0.00 -0.66 -1.50 119.26 120.43 1y60 h ALA 4092Ca 0.04 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1y60 h ALA 4092Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1y60 h ALA 4092CO -0.01 0.51 -0.22 0.52 0.00 0.00 0.00 179.25 180.05 1y60 h MET 4093N 1.03 0.52 -0.48 0.00 2.86 -0.78 -1.03 114.93 117.05 1y60 h MET 4093Ca 0.25 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1y60 h MET 4093Cb 0.12 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1y60 h MET 4093CO -0.03 0.71 0.21 0.00 1.06 0.00 0.00 176.91 178.86 1y60 h ALA 4094N 1.30 0.62 -0.16 6.32 0.00 -0.72 0.40 119.26 127.02 1y60 h ALA 4094Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1y60 h ALA 4094Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1y60 h ALA 4094CO 0.05 0.21 0.08 0.28 0.00 0.00 0.00 179.25 179.87 1y60 h VAL 4095N 0.63 1.12 -0.37 0.00 2.07 -0.97 -1.11 116.25 117.62 1y60 h VAL 4095Ca 0.16 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 1y60 h VAL 4095Cb 0.16 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1y60 h VAL 4095CO -0.02 0.11 -0.19 -0.61 0.02 0.00 0.00 177.57 176.89 1y60 h GLN 4096N 0.14 0.70 -0.15 1.57 5.75 -0.92 -2.17 115.11 120.02 1y60 h GLN 4096Ca 0.06 -0.26 -0.09 0.00 -0.15 0.00 0.00 58.65 58.20 1y60 h GLN 4096Cb 0.11 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1y60 h GLN 4096CO -0.01 0.84 -0.31 -0.44 -2.65 0.00 0.00 178.83 176.26 1y60 h ASP 4097N 0.62 0.30 -0.45 -0.69 3.45 -0.10 0.08 116.42 119.63 1y60 h ASP 4097Ca 0.09 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.38 1y60 h ASP 4097Cb 0.66 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.33 1y60 h ASP 4097CO 0.05 0.61 0.05 0.00 -1.57 0.00 0.00 179.24 178.38 1y60 h ALA 4098N 1.41 1.12 -0.11 3.45 0.00 -0.75 0.10 119.26 124.48 1y60 h ALA 4098Ca 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1y60 h ALA 4098Cb 0.69 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1y60 h ALA 4098CO 0.05 0.57 -0.14 0.28 0.00 0.00 0.00 179.25 180.02 1y60 h VAL 4099N 0.79 1.37 -0.96 0.00 2.07 -0.86 0.81 116.25 119.46 1y60 h VAL 4099Ca 0.16 -1.34 0.07 0.00 0.82 0.00 0.00 66.70 66.41 1y60 h VAL 4099Cb 0.40 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 1y60 h VAL 4099CO 0.01 0.38 0.61 0.00 0.02 0.00 0.00 177.57 178.60 1y60 h ALA 4100N 0.56 1.35 -0.00 1.67 0.00 -0.67 -1.71 119.26 120.45 1y60 h ALA 4100Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1y60 h ALA 4100Cb 0.68 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1y60 h ALA 4100CO 0.03 0.36 -0.01 0.39 0.00 0.00 0.00 179.25 180.03 1y60 n GLU 4101N -4.55 1.11 -0.89 0.00 1.02 0.32 -4.92 120.64 112.73 1y60 n GLU 4101Ca 0.15 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1y60 n GLU 4101Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1y60 n GLU 4101CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y60 n GLY 4102N 1.09 0.72 0.29 0.62 0.00 -0.64 -4.90 105.19 102.37 1y60 n GLY 4102Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1y60 n GLY 4102CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1y60 h ILE 4103N 0.00 1.27 -3.68 -0.61 2.04 -1.10 -3.32 117.51 112.11 1y60 h ILE 4103Ca 0.00 -1.34 -0.70 0.00 1.00 0.00 0.00 64.86 63.83 1y60 h ILE 4103Cb 0.00 1.06 -0.29 0.00 -0.74 0.00 0.00 36.82 36.85 1y60 h ILE 4103CO 0.00 0.47 -0.61 -0.63 0.00 0.00 0.00 178.15 177.37 1y60 s ILE 4104N -4.74 3.69 0.22 -0.67 1.01 -0.93 -4.98 121.20 114.79 1y60 s ILE 4104Ca -0.11 -1.18 -0.31 0.00 0.00 0.00 0.00 60.65 59.04 1y60 s ILE 4104Cb 0.12 -3.10 -0.14 0.00 0.01 0.00 0.00 42.46 39.35 1y60 s ILE 4104CO 0.87 -0.18 1.25 -2.65 0.00 0.00 0.00 174.94 174.22 1y60 n PRO 4105N 4.79 1.56 -0.13 2.79 -0.02 -1.25 -4.27 135.00 138.46 1y60 n PRO 4105Ca -0.12 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 61.98 1y60 n PRO 4105Cb 0.44 -2.10 0.39 0.00 -0.02 0.00 0.00 33.50 32.21 1y60 n PRO 4105CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y60 h ALA 4106N 3.52 1.76 -0.08 3.55 0.00 -1.90 -1.49 119.26 124.62 1y60 h ALA 4106Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1y60 h ALA 4106Cb 1.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1y60 h ALA 4106CO 0.71 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.70 1y60 n ASP 4107N -4.48 0.45 0.00 0.00 5.75 -1.26 -2.91 116.55 114.11 1y60 n ASP 4107Ca 0.09 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1y60 n ASP 4107Cb 0.22 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1y60 n ASP 4107CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1y60 n GLU 4108N -0.26 2.18 0.02 0.11 1.02 -0.61 -4.80 120.64 118.31 1y60 n GLU 4108Ca 0.03 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.38 1y60 n GLU 4108Cb 0.07 -0.80 0.72 0.00 -0.02 0.00 0.00 31.44 31.42 1y60 n GLU 4108CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y60 h ALA 4109N 0.00 2.39 -0.01 0.62 0.00 -1.29 -0.80 119.26 120.17 1y60 h ALA 4109Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y60 h ALA 4109Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1y60 h ALA 4109CO 0.00 -0.67 0.00 -0.25 0.00 0.00 0.00 179.25 178.33 1y60 n ASP 4110N -4.16 1.01 -0.98 0.00 10.43 -1.26 -2.92 116.55 118.67 1y60 n ASP 4110Ca 0.09 -1.34 0.05 0.00 2.57 0.00 0.00 54.79 56.17 1y60 n ASP 4110Cb 0.63 -0.00 0.10 0.00 1.84 0.00 0.00 41.12 43.69 1y60 n ASP 4110CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1y60 n ASP 4111N -0.21 1.28 -4.39 -2.24 10.43 -0.31 -5.00 116.55 116.11 1y60 n ASP 4111Ca 0.21 -2.81 -0.20 0.00 2.57 0.00 0.00 54.79 54.55 1y60 n ASP 4111Cb 0.27 -0.39 -0.10 0.00 1.84 0.00 0.00 41.12 42.74 1y60 n ASP 4111CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1y60 s LEU 4112N -1.44 2.56 -0.01 0.64 1.43 -1.18 -2.03 118.68 118.65 1y60 s LEU 4112Ca 0.33 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1y60 s LEU 4112Cb 0.34 -0.79 -0.01 0.00 0.03 0.00 0.00 46.19 45.77 1y60 s LEU 4112CO -0.10 -0.13 -0.10 -0.31 0.23 0.00 0.00 176.35 175.93 1y60 s TYR 4113N -2.85 0.91 -0.05 0.29 2.02 -0.02 -3.57 117.35 114.07 1y60 s TYR 4113Ca 0.25 -0.18 0.05 0.00 -0.37 0.00 0.00 57.07 56.82 1y60 s TYR 4113Cb -0.01 -0.58 -0.00 0.00 -0.40 0.00 0.00 41.96 40.96 1y60 s TYR 4113CO 0.10 -0.01 -0.19 0.08 -1.57 0.00 0.00 175.55 173.95 1y60 s VAL 4114N -0.26 1.59 -0.16 0.71 1.01 -0.15 -1.86 120.40 121.28 1y60 s VAL 4114Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1y60 s VAL 4114Cb -0.04 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1y60 s VAL 4114CO -0.00 0.45 -0.18 -0.76 0.00 0.00 0.00 175.10 174.61 1y60 s LEU 4115N 0.04 2.29 -0.19 3.92 1.43 0.66 -0.25 118.68 126.58 1y60 s LEU 4115Ca -0.05 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1y60 s LEU 4115Cb -0.13 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1y60 s LEU 4115CO 0.03 0.05 -0.08 -0.69 0.23 0.00 0.00 176.35 175.89 1y60 s VAL 4116N 0.98 1.48 -0.17 -1.59 1.01 0.63 -0.98 120.40 121.75 1y60 s VAL 4116Ca -0.02 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1y60 s VAL 4116Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1y60 s VAL 4116CO -0.04 0.13 0.51 -0.83 0.00 0.00 0.00 175.10 174.86 1y60 s GLY 4117N 1.46 2.18 -0.05 4.51 0.00 0.41 -1.22 107.32 114.62 1y60 s GLY 4117Ca -0.01 -0.33 0.05 0.00 0.00 0.00 0.00 44.72 44.43 1y60 s GLY 4117CO -0.08 0.98 -0.20 0.14 0.00 0.00 0.00 173.10 173.95 1y60 s VAL 4118N 1.31 2.59 -0.16 1.40 1.01 -0.25 -2.42 120.40 123.89 1y60 s VAL 4118Ca 0.25 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1y60 s VAL 4118Cb -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1y60 s VAL 4118CO 0.10 0.58 -0.07 0.12 0.00 0.00 0.00 175.10 175.83 1y60 s PHE 4119N -0.52 2.95 -0.18 5.22 2.19 -1.16 -1.73 117.98 124.74 1y60 s PHE 4119Ca 0.07 -0.48 -0.05 0.00 0.33 0.00 0.00 56.93 56.80 1y60 s PHE 4119Cb -0.11 -1.94 0.06 0.00 -1.31 0.00 0.00 43.02 39.71 1y60 s PHE 4119CO 0.01 -0.16 0.09 0.42 1.83 0.00 0.00 175.22 177.41 1y60 s ILE 4120N 0.51 -0.09 0.58 3.12 1.01 -1.26 -4.38 121.20 120.69 1y60 s ILE 4120Ca -0.05 -0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.21 1y60 s ILE 4120Cb -0.15 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1y60 s ILE 4120CO 0.03 -0.30 1.22 1.57 0.00 0.00 0.00 174.94 177.46 1y60 n HIS 4121N 5.28 1.78 0.41 3.97 -0.00 -1.26 -4.77 115.22 120.63 1y60 n HIS 4121Ca -0.07 0.44 0.05 0.00 -0.00 0.00 0.00 57.72 58.14 1y60 n HIS 4121Cb 0.49 -2.28 0.23 0.00 -0.00 0.00 0.00 29.99 28.43 1y60 n HIS 4121CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.34 173.67 1y60 n TRP 4122N -1.39 0.00 0.40 1.57 4.27 -1.26 -1.62 117.44 119.40 1y60 n TRP 4122Ca 0.13 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.83 1y60 n TRP 4122Cb 0.46 -0.40 0.15 0.00 -1.36 0.00 0.00 31.31 30.16 1y60 n TRP 4122CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1y60 n GLU 4123N -1.40 2.11 -1.74 -2.67 1.02 -1.26 -4.98 120.64 111.73 1y60 n GLU 4123Ca 0.04 -1.97 -0.41 0.00 -0.02 0.00 0.00 57.16 54.80 1y60 n GLU 4123Cb 0.10 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.12 1y60 n GLU 4123CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y60 n ALA 4124N 1.17 1.80 0.00 0.62 0.00 -0.64 -4.86 120.51 118.60 1y60 n ALA 4124Ca 0.15 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1y60 n ALA 4124Cb 0.52 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1y60 n ALA 4124CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y60 n ALA 4125N 0.03 1.29 -2.76 0.00 0.00 -1.26 -5.01 120.51 112.80 1y60 n ALA 4125Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1y60 n ALA 4125Cb 0.39 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 1y60 n ALA 4125CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1y60 s ASP 4126N -1.59 6.21 0.31 0.00 3.68 -1.26 -4.92 116.67 119.11 1y60 s ASP 4126Ca 0.00 -0.75 0.05 0.00 2.13 0.00 0.00 52.55 53.98 1y60 s ASP 4126Cb 0.00 -2.45 0.71 0.00 -1.45 0.00 0.00 42.92 39.73 1y60 s ASP 4126CO 0.00 -1.46 1.81 0.44 0.13 0.00 0.00 175.17 176.09 1y60 h ASP 4127N 9.59 0.80 -0.84 -0.34 3.32 -1.99 -0.99 116.42 125.97 1y60 h ASP 4127Ca -0.28 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1y60 h ASP 4127Cb 1.07 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 1y60 h ASP 4127CO 1.18 0.35 0.44 0.00 -1.72 0.00 0.00 179.24 179.49 1y60 h ALA 4128N 1.60 1.18 -0.13 3.45 0.00 -1.99 -0.08 119.26 123.29 1y60 h ALA 4128Ca 0.53 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 55.11 1y60 h ALA 4128Cb 0.75 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1y60 h ALA 4128CO -0.30 0.64 -0.65 0.87 0.00 0.00 0.00 179.25 179.81 1y60 h LYS 4129N 1.19 0.67 -0.30 0.00 1.57 -1.64 -1.20 116.57 116.87 1y60 h LYS 4129Ca 0.30 -0.55 0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1y60 h LYS 4129Cb 0.06 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1y60 h LYS 4129CO -0.04 1.16 0.09 0.82 -0.57 0.00 0.00 179.45 180.91 1y60 h ILE 4130N 0.34 0.91 -0.26 1.86 2.04 -0.98 0.16 117.51 121.58 1y60 h ILE 4130Ca -0.04 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1y60 h ILE 4130Cb 1.29 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1y60 h ILE 4130CO 0.13 0.04 0.14 -0.61 0.00 0.00 0.00 178.15 177.85 1y60 h GLN 4131N 0.22 0.36 -0.17 2.37 4.15 -1.00 -1.82 115.11 119.22 1y60 h GLN 4131Ca 0.13 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 1y60 h GLN 4131Cb 0.11 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 1y60 h GLN 4131CO -0.14 0.33 -0.07 -0.22 -1.93 0.00 0.00 178.83 176.79 1y60 h LYS 4132N 0.30 0.35 -0.56 1.69 3.64 -0.86 -1.53 116.57 119.60 1y60 h LYS 4132Ca 0.09 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1y60 h LYS 4132Cb 0.07 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1y60 h LYS 4132CO -0.01 0.65 0.13 1.88 -2.27 0.00 0.00 179.45 179.82 1y60 h TYR 4133N 0.04 0.95 -0.20 1.91 0.99 -0.70 -0.39 116.97 119.57 1y60 h TYR 4133Ca 0.04 -0.12 -0.10 0.00 2.00 0.00 0.00 58.73 60.55 1y60 h TYR 4133Cb 0.54 -0.27 -0.01 0.00 1.00 0.00 0.00 36.73 37.99 1y60 h TYR 4133CO 0.06 0.83 -0.30 -0.91 -0.00 0.00 0.00 178.16 177.84 1y60 h ASN 4134N 0.80 0.41 -0.19 3.88 2.35 -1.35 0.36 115.58 121.84 1y60 h ASN 4134Ca 0.17 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1y60 h ASN 4134Cb 0.36 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1y60 h ASN 4134CO 0.00 0.70 0.05 0.22 -1.65 0.00 0.00 177.43 176.75 1y60 h TYR 4135N 0.35 0.31 -0.40 1.19 3.20 -0.98 -0.29 116.97 120.35 1y60 h TYR 4135Ca 0.05 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1y60 h TYR 4135Cb 0.71 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1y60 h TYR 4135CO 0.02 0.41 -0.12 0.93 -1.64 0.00 0.00 178.16 177.76 1y60 h GLU 4136N 0.13 0.79 -0.43 1.82 5.08 -0.73 -1.41 114.58 119.83 1y60 h GLU 4136Ca 0.06 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 57.98 1y60 h GLU 4136Cb 0.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1y60 h GLU 4136CO -0.00 0.93 -0.24 0.00 -1.00 0.00 0.00 179.01 178.70 1y60 h ALA 4137N 0.84 0.76 -0.49 3.43 0.00 -0.24 -1.08 119.26 122.47 1y60 h ALA 4137Ca 0.10 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1y60 h ALA 4137Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1y60 h ALA 4137CO 0.04 0.66 0.06 1.15 0.00 0.00 0.00 179.25 181.16 1y60 h THR 4138N 0.77 1.25 -0.45 0.00 2.02 -1.00 -0.42 112.91 115.08 1y60 h THR 4138Ca 0.10 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.21 1y60 h THR 4138Cb 0.79 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1y60 h THR 4138CO 0.07 0.34 -0.14 0.50 0.37 0.00 0.00 175.52 176.66 1y60 h LYS 4139N 0.69 0.84 -0.54 6.66 3.64 -1.09 -0.54 116.57 126.24 1y60 h LYS 4139Ca 0.15 -0.30 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 1y60 h LYS 4139Cb 0.42 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1y60 h LYS 4139CO 0.01 0.93 -0.01 -0.07 -2.27 0.00 0.00 179.45 178.04 1y60 h LEU 4140N 0.75 0.94 -0.94 5.20 3.38 -1.04 -1.60 115.31 122.00 1y60 h LEU 4140Ca 0.12 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1y60 h LEU 4140Cb 0.65 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1y60 h LEU 4140CO 0.05 1.02 0.12 0.28 0.09 0.00 0.00 178.44 179.99 1y60 h SER 4141N 0.83 0.84 -0.13 -0.43 0.02 -0.66 -0.14 113.55 113.87 1y60 h SER 4141Ca 0.15 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1y60 h SER 4141Cb 0.55 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1y60 h SER 4141CO 0.03 0.83 -0.02 0.40 -1.14 0.00 0.00 176.83 176.94 1y60 h ILE 4142N 0.85 1.27 -0.63 3.27 2.04 -0.96 0.13 117.51 123.50 1y60 h ILE 4142Ca 0.18 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.18 1y60 h ILE 4142Cb 0.34 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1y60 h ILE 4142CO 0.00 0.26 0.38 -0.61 0.00 0.00 0.00 178.15 178.18 1y60 h GLN 4143N -0.04 0.71 0.06 2.37 5.75 -1.07 0.86 115.11 123.75 1y60 h GLN 4143Ca 0.04 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1y60 h GLN 4143Cb 0.41 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.80 1y60 h GLN 4143CO 0.01 0.47 -0.03 0.00 -2.65 0.00 0.00 178.83 176.63 1y60 h ARG 4144N 0.73 -0.08 -0.60 1.69 3.08 -0.92 -3.21 114.38 115.07 1y60 h ARG 4144Ca 0.26 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.37 1y60 h ARG 4144Cb 0.06 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1y60 h ARG 4144CO -0.12 0.23 0.32 0.00 -1.07 0.00 0.00 179.97 179.33 1y60 h ALA 4145N 0.53 0.79 -0.17 0.04 0.00 -0.36 -0.09 119.26 119.99 1y60 h ALA 4145Ca -0.01 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1y60 h ALA 4145Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1y60 h ALA 4145CO 0.01 -0.01 0.16 0.28 0.00 0.00 0.00 179.25 179.69 1y60 h VAL 4146N 0.61 0.64 -0.41 0.00 2.07 -0.87 -0.01 116.25 118.28 1y60 h VAL 4146Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1y60 h VAL 4146Cb 0.16 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1y60 h VAL 4146CO -0.17 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.01 1y60 n ASN 4147N -4.07 3.29 -2.28 0.57 3.02 -0.81 -4.91 115.26 110.07 1y60 n ASN 4147Ca 0.01 -1.94 -0.19 0.00 -0.03 0.00 0.00 54.58 52.43 1y60 n ASN 4147Cb 0.28 -0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1y60 n ASN 4147CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y60 n GLY 4148N 1.22 -0.41 3.82 7.41 0.00 -0.02 -4.92 105.19 112.29 1y60 n GLY 4148Ca 0.17 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1y60 n GLY 4148CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y60 s GLU 4149N -5.08 3.01 0.19 1.61 0.41 -0.12 -3.55 118.70 115.18 1y60 s GLU 4149Ca 0.06 -0.74 -0.30 0.00 -0.41 0.00 0.00 54.97 53.58 1y60 s GLU 4149Cb -0.02 -2.75 -0.08 0.00 -1.78 0.00 0.00 34.13 29.50 1y60 s GLU 4149CO 0.07 0.53 1.06 -1.25 -0.49 0.00 0.00 175.26 175.18 1y60 s PRO 4150N -2.84 4.65 0.71 0.39 0.04 -1.26 -4.25 135.00 132.45 1y60 s PRO 4150Ca 0.31 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 1y60 s PRO 4150Cb -0.11 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1y60 s PRO 4150CO 0.24 0.17 1.24 0.15 0.04 0.00 0.00 177.00 178.84 1y60 s LYS 4151N -0.59 2.21 0.22 4.56 -0.14 -1.23 -4.78 119.74 119.99 1y60 s LYS 4151Ca 0.47 1.87 -0.08 0.00 -1.36 0.00 0.00 55.97 56.87 1y60 s LYS 4151Cb -0.28 -1.83 0.28 0.00 -1.68 0.00 0.00 37.83 34.32 1y60 s LYS 4151CO 0.35 -1.81 1.80 0.00 -0.76 0.00 0.00 175.35 174.93 1y60 h ALA 4152N -0.07 0.95 -0.46 5.17 0.00 -2.00 -0.87 119.26 121.97 1y60 h ALA 4152Ca -0.49 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1y60 h ALA 4152Cb 1.31 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1y60 h ALA 4152CO 0.50 0.02 0.31 0.66 0.00 0.00 0.00 179.25 180.74 1y60 h SER 4153N 0.67 0.52 -0.31 0.00 4.64 -1.99 0.12 113.55 117.20 1y60 h SER 4153Ca 0.32 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.54 1y60 h SER 4153Cb 0.26 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1y60 h SER 4153CO -0.22 0.38 -0.17 0.58 -0.87 0.00 0.00 176.83 176.53 1y60 h VAL 4154N 0.62 1.29 -0.47 0.95 2.07 -1.54 -2.29 116.25 116.88 1y60 h VAL 4154Ca 0.17 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 1y60 h VAL 4154Cb -0.06 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1y60 h VAL 4154CO -0.04 0.41 -0.02 0.58 0.02 0.00 0.00 177.57 178.53 1y60 h VAL 4155N 0.41 1.26 -0.45 2.57 2.07 -0.78 -2.72 116.25 118.61 1y60 h VAL 4155Ca 0.07 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.56 1y60 h VAL 4155Cb 0.70 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1y60 h VAL 4155CO 0.05 0.38 0.17 0.74 0.02 0.00 0.00 177.57 178.92 1y60 h THR 4156N 0.68 0.87 -0.97 2.57 2.02 -0.95 -0.03 112.91 117.11 1y60 h THR 4156Ca 0.13 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1y60 h THR 4156Cb 0.53 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1y60 h THR 4156CO 0.03 0.06 0.64 -0.33 0.37 0.00 0.00 175.52 176.29 1y60 h GLU 4157N 0.34 1.24 -0.35 6.66 5.08 -1.29 -3.18 114.58 123.08 1y60 h GLU 4157Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1y60 h GLU 4157Cb 0.20 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1y60 h GLU 4157CO -0.21 0.82 0.00 0.00 -1.00 0.00 0.00 179.01 178.62 1y60 n GLN 4158N -4.41 3.22 -0.19 2.33 10.64 -0.91 -4.66 117.38 123.41 1y60 n GLN 4158Ca 0.12 -2.73 0.00 0.00 -1.83 0.00 0.00 57.00 52.56 1y60 n GLN 4158Cb 0.05 -1.78 0.25 0.00 -0.86 0.00 0.00 30.24 27.89 1y60 n GLN 4158CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 1y60 h ARG 4159N 2.32 0.94 0.00 2.61 0.11 -0.99 -2.84 114.38 116.53 1y60 h ARG 4159Ca 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1y60 h ARG 4159Cb 1.37 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1y60 h ARG 4159CO 0.21 0.65 0.00 0.87 0.10 0.00 0.00 179.97 181.80 1y60 h LYS 4160N 0.96 0.00 -0.01 0.08 1.79 -1.84 -3.20 116.57 114.34 1y60 h LYS 4160Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1y60 h LYS 4160Cb -0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1y60 h LYS 4160CO -0.05 0.00 -0.48 -1.13 -1.08 0.00 0.00 179.45 176.71 1y60 n SER 4161N -2.81 1.93 -4.80 0.86 3.41 -1.08 -4.97 113.62 106.16 1y60 n SER 4161Ca 0.02 -1.47 -0.34 0.00 -0.26 0.00 0.00 58.87 56.82 1y60 n SER 4161Cb 0.34 0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 64.74 1y60 n SER 4161CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y60 s ALA 4162N -2.41 2.94 -0.22 7.33 0.00 -1.21 -5.05 121.76 123.14 1y60 s ALA 4162Ca 0.17 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1y60 s ALA 4162Cb 0.17 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 20.13 1y60 s ALA 4162CO 0.56 -0.16 -0.06 0.99 0.00 0.00 0.00 175.76 177.09 1y60 s THR 4163N -2.03 1.47 -0.23 0.00 2.01 -1.26 -5.08 115.64 110.52 1y60 s THR 4163Ca 0.65 -1.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.32 1y60 s THR 4163Cb -0.14 -1.68 -0.00 0.00 0.01 0.00 0.00 72.50 70.68 1y60 s THR 4163CO 0.18 -0.01 0.90 -2.28 -0.69 0.00 0.00 174.62 172.72 1y60 s HIS 4164N 1.44 3.34 0.64 4.92 5.04 -1.26 -4.91 115.29 124.50 1y60 s HIS 4164Ca -0.04 1.27 0.32 0.00 -1.54 0.00 0.00 55.06 55.08 1y60 s HIS 4164Cb -0.18 -3.12 1.78 0.00 0.04 0.00 0.00 32.58 31.10 1y60 s HIS 4164CO -0.07 -0.40 2.05 -1.00 -2.34 0.00 0.00 174.74 172.98 1y60 h PRO 4165N 7.55 0.00 -0.18 2.88 0.13 -1.98 -1.36 132.00 139.04 1y60 h PRO 4165Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1y60 h PRO 4165Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1y60 h PRO 4165CO 0.90 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.86 1y60 n PHE 4166N -3.25 0.22 -1.32 1.56 0.99 -1.26 -5.01 117.46 109.39 1y60 n PHE 4166Ca -0.00 -0.25 -0.31 0.00 -0.00 0.00 0.00 57.45 56.89 1y60 n PHE 4166Cb 0.34 -0.01 0.09 0.00 -1.00 0.00 0.00 39.48 38.90 1y60 n PHE 4166CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1y60 s ALA 4167N -0.95 2.19 0.17 4.37 0.00 -0.52 -4.93 121.76 122.09 1y60 s ALA 4167Ca 0.18 0.14 0.15 0.00 0.00 0.00 0.00 51.96 52.43 1y60 s ALA 4167Cb 0.10 -3.23 0.46 0.00 0.00 0.00 0.00 23.12 20.46 1y60 s ALA 4167CO 0.14 -1.79 1.64 0.00 0.00 0.00 0.00 175.76 175.76 1y60 h ALA 4168N -1.14 0.92 0.00 0.00 0.00 -1.95 -3.49 119.26 113.60 1y60 h ALA 4168Ca -0.45 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1y60 h ALA 4168Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1y60 h ALA 4168CO 0.53 0.63 0.00 -1.71 0.00 0.00 0.00 179.25 178.70