#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0p s LEU 4003N 0.00 4.28 0.20 0.99 2.96 -1.26 -3.09 118.68 122.75 1x0p s LEU 4003Ca 0.00 1.21 0.03 0.00 -0.22 0.00 0.00 54.13 55.15 1x0p s LEU 4003Cb 0.00 -3.16 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 1x0p s LEU 4003CO 0.00 -0.21 -0.01 -1.00 -1.32 0.00 0.00 176.35 173.81 1x0p s HIS 4004N 1.23 1.40 -0.04 5.38 3.76 0.47 -1.05 115.29 126.43 1x0p s HIS 4004Ca 0.39 -0.94 0.04 0.00 -0.15 0.00 0.00 55.06 54.39 1x0p s HIS 4004Cb -0.18 -0.79 0.00 0.00 1.11 0.00 0.00 32.58 32.72 1x0p s HIS 4004CO 0.17 -0.09 -0.15 0.50 -0.85 0.00 0.00 174.74 174.33 1x0p s ARG 4005N -3.87 1.63 -0.02 1.40 3.52 -0.34 -0.90 118.95 120.37 1x0p s ARG 4005Ca 0.25 -0.52 0.06 0.00 -0.13 0.00 0.00 55.73 55.40 1x0p s ARG 4005Cb 0.05 -1.41 -0.02 0.00 -1.56 0.00 0.00 34.95 32.01 1x0p s ARG 4005CO 0.06 0.18 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.34 1x0p s LEU 4006N 0.18 2.33 -0.03 -0.88 2.96 0.14 -2.46 118.68 120.93 1x0p s LEU 4006Ca -0.06 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1x0p s LEU 4006Cb -0.12 -1.42 0.03 0.00 0.50 0.00 0.00 46.19 45.17 1x0p s LEU 4006CO 0.02 0.32 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.73 1x0p s ILE 4007N -0.68 0.28 0.18 6.68 1.01 -0.41 -0.17 121.20 128.09 1x0p s ILE 4007Ca 0.11 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 1x0p s ILE 4007Cb -0.10 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 1x0p s ILE 4007CO 0.00 0.17 0.29 -0.72 0.00 0.00 0.00 174.94 174.67 1x0p s TYR 4008N 0.96 0.53 0.11 3.97 -0.85 -0.82 -0.67 117.35 120.59 1x0p s TYR 4008Ca -0.11 -0.88 0.03 0.00 -0.52 0.00 0.00 57.07 55.60 1x0p s TYR 4008Cb -0.14 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.06 1x0p s TYR 4008CO -0.01 -0.75 -0.09 -0.48 -1.52 0.00 0.00 175.55 172.70 1x0p s LEU 4009N -3.01 2.47 0.23 -3.49 0.05 0.02 -1.87 118.68 113.07 1x0p s LEU 4009Ca 0.22 -0.92 -0.19 0.00 0.05 0.00 0.00 54.13 53.29 1x0p s LEU 4009Cb 0.03 -0.25 0.03 0.00 -2.05 0.00 0.00 46.19 43.95 1x0p s LEU 4009CO 0.04 -0.34 0.59 -0.94 -0.55 0.00 0.00 176.35 175.15 1x0p s SER 4010N -2.81 -0.27 -0.24 1.48 1.04 -0.40 -0.02 113.70 112.48 1x0p s SER 4010Ca 0.10 -0.53 -0.10 0.00 0.48 0.00 0.00 55.95 55.90 1x0p s SER 4010Cb 0.01 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 1x0p s SER 4010CO -0.01 -1.16 0.15 0.00 0.98 0.00 0.00 173.24 173.20 1x0p s ALA 4012N 1.16 3.42 0.30 0.00 0.00 -0.81 -0.36 121.76 125.47 1x0p s ALA 4012Ca 0.07 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 1x0p s ALA 4012Cb -0.14 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.40 1x0p s ALA 4012CO 0.05 -0.68 1.21 0.99 0.00 0.00 0.00 175.76 177.33 1x0p s THR 4013N -1.18 3.07 0.14 0.00 2.01 -0.85 -4.84 115.64 113.99 1x0p s THR 4013Ca 0.51 1.07 -0.31 0.00 0.31 0.00 0.00 61.69 63.28 1x0p s THR 4013Cb -0.39 -3.68 -0.10 0.00 0.01 0.00 0.00 72.50 68.33 1x0p s THR 4013CO 0.51 0.25 1.79 -1.81 -0.69 0.00 0.00 174.62 174.67 1x0p s ASP 4014N -0.64 6.44 0.00 3.53 1.11 -1.26 -2.46 116.67 123.39 1x0p s ASP 4014Ca 0.47 2.75 0.00 0.00 0.18 0.00 0.00 52.55 55.95 1x0p s ASP 4014Cb -0.36 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.06 1x0p s ASP 4014CO 0.47 -0.98 0.00 0.61 1.18 0.00 0.00 175.17 176.45 1x0p n GLY 4015N 4.15 0.98 3.60 0.21 0.00 -1.26 -5.02 105.19 107.84 1x0p n GLY 4015Ca 0.17 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1x0p n GLY 4015CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x0p s LEU 4016N 0.00 3.47 0.63 0.99 2.96 -1.03 -4.96 118.68 120.74 1x0p s LEU 4016Ca 0.00 1.50 -0.02 0.00 -0.22 0.00 0.00 54.13 55.39 1x0p s LEU 4016Cb 0.00 -3.47 0.05 0.00 0.50 0.00 0.00 46.19 43.27 1x0p s LEU 4016CO 0.00 -1.85 0.89 -0.94 -1.32 0.00 0.00 176.35 173.13 1x0p s SER 4017N 7.11 5.00 0.24 3.68 1.04 -1.26 -4.97 113.70 124.54 1x0p s SER 4017Ca 0.88 0.15 -0.04 0.00 0.48 0.00 0.00 55.95 57.42 1x0p s SER 4017Cb -0.26 -0.90 0.27 0.00 0.10 0.00 0.00 66.02 65.23 1x0p s SER 4017CO 0.34 -1.39 1.76 1.88 0.98 0.00 0.00 173.24 176.81 1x0p h TYR 4018N -0.26 0.98 -0.56 5.02 -1.99 -1.99 -2.29 116.97 115.88 1x0p h TYR 4018Ca -0.43 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.18 1x0p h TYR 4018Cb 1.30 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 39.73 1x0p h TYR 4018CO 0.30 0.83 0.33 -1.35 -0.00 0.00 0.00 178.16 178.27 1x0p h PRO 4019N 0.88 0.76 -0.80 4.88 0.11 -1.98 0.19 132.00 136.04 1x0p h PRO 4019Ca 0.18 -0.08 0.06 0.00 0.11 0.00 0.00 66.00 66.28 1x0p h PRO 4019Cb 0.38 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.27 1x0p h PRO 4019CO 0.01 0.56 0.48 -0.44 -0.21 0.00 0.00 178.00 178.40 1x0p h ASP 4020N 0.75 0.74 -0.25 -2.05 3.32 -1.89 0.33 116.42 117.36 1x0p h ASP 4020Ca 0.20 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1x0p h ASP 4020Cb 0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1x0p h ASP 4020CO -0.04 0.47 0.04 -0.07 -1.72 0.00 0.00 179.24 177.92 1x0p h LEU 4021N 0.87 0.40 -0.23 1.55 3.38 -0.81 -0.74 115.31 119.74 1x0p h LEU 4021Ca 0.35 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1x0p h LEU 4021Cb 0.19 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1x0p h LEU 4021CO -0.18 0.57 0.13 0.03 0.09 0.00 0.00 178.44 179.07 1x0p h ARG 4022N 0.23 0.25 -0.41 1.13 3.08 0.07 -0.98 114.38 117.75 1x0p h ARG 4022Ca 0.08 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1x0p h ARG 4022Cb 0.33 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1x0p h ARG 4022CO 0.01 0.17 0.24 0.22 -1.07 0.00 0.00 179.97 179.54 1x0p h ASP 4023N 0.26 0.40 -0.13 7.04 3.58 -0.27 0.39 116.42 127.69 1x0p h ASP 4023Ca 0.09 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.56 1x0p h ASP 4023Cb 0.00 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1x0p h ASP 4023CO -0.05 0.28 -0.01 0.40 -2.88 0.00 0.00 179.24 176.99 1x0p h ILE 4024N 0.49 0.90 -0.52 2.25 2.04 -0.81 -0.99 117.51 120.87 1x0p h ILE 4024Ca 0.16 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.92 1x0p h ILE 4024Cb 0.01 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1x0p h ILE 4024CO -0.07 0.01 -0.03 0.24 0.00 0.00 0.00 178.15 178.30 1x0p h MET 4025N 0.03 0.91 0.18 2.37 2.86 -0.88 -0.58 114.93 119.83 1x0p h MET 4025Ca 0.06 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1x0p h MET 4025Cb 0.07 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1x0p h MET 4025CO -0.11 0.92 -0.24 0.00 1.06 0.00 0.00 176.91 178.54 1x0p h ALA 4026N 1.13 -0.45 -0.28 6.32 0.00 0.30 -0.91 119.26 125.37 1x0p h ALA 4026Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1x0p h ALA 4026Cb 0.53 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x0p h ALA 4026CO 0.03 -0.79 -0.23 0.87 0.00 0.00 0.00 179.25 179.14 1x0p h LYS 4027N -0.47 0.53 -0.18 0.00 6.56 -1.14 -3.05 116.57 118.82 1x0p h LYS 4027Ca 0.01 -0.19 -0.01 0.00 -1.06 0.00 0.00 60.65 59.40 1x0p h LYS 4027Cb 0.47 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1x0p h LYS 4027CO -0.10 0.72 0.09 0.77 -2.06 0.00 0.00 179.45 178.88 1x0p h SER 4028N 0.47 0.23 -0.33 0.86 0.02 -0.72 -1.72 113.55 112.37 1x0p h SER 4028Ca 0.07 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1x0p h SER 4028Cb 0.65 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1x0p h SER 4028CO 0.05 0.27 0.21 -0.33 -1.14 0.00 0.00 176.83 175.88 1x0p h GLU 4029N 0.18 0.42 0.47 3.45 5.08 -1.15 -0.02 114.58 123.00 1x0p h GLU 4029Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1x0p h GLU 4029Cb 0.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x0p h GLU 4029CO -0.01 0.28 -0.22 0.28 -1.00 0.00 0.00 179.01 178.33 1x0p h VAL 4030N 0.43 0.54 -0.05 3.13 2.07 -1.43 -1.83 116.25 119.10 1x0p h VAL 4030Ca 0.12 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1x0p h VAL 4030Cb -0.04 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1x0p h VAL 4030CO -0.03 0.02 0.03 0.78 0.02 0.00 0.00 177.57 178.38 1x0p h ASN 4031N -0.68 0.07 -1.01 0.57 2.35 -1.28 -2.16 115.58 113.45 1x0p h ASN 4031Ca -0.06 -0.12 0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1x0p h ASN 4031Cb 0.51 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.79 1x0p h ASN 4031CO 0.10 0.17 0.65 0.78 -1.65 0.00 0.00 177.43 177.49 1x0p h ASN 4032N -0.03 1.04 -0.18 5.81 2.35 -1.03 0.24 115.58 123.78 1x0p h ASN 4032Ca 0.02 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1x0p h ASN 4032Cb 0.12 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1x0p h ASN 4032CO -0.00 0.66 0.12 0.25 -1.65 0.00 0.00 177.43 176.80 1x0p h LEU 4033N 1.17 0.20 -0.47 1.61 5.85 -1.16 0.44 115.31 122.96 1x0p h LEU 4033Ca 0.44 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.16 1x0p h LEU 4033Cb 0.18 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1x0p h LEU 4033CO -0.18 0.15 0.31 -0.09 -0.34 0.00 0.00 178.44 178.28 1x0p h ARG 4034N 0.24 0.60 -0.00 1.25 2.43 -0.63 -2.80 114.38 115.47 1x0p h ARG 4034Ca 0.07 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1x0p h ARG 4034Cb -0.02 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1x0p h ARG 4034CO -0.02 0.40 -0.04 -0.25 -1.51 0.00 0.00 179.97 178.55 1x0p n ASP 4035N -4.77 0.42 -0.76 -3.80 8.00 0.75 -4.90 116.55 111.48 1x0p n ASP 4035Ca 0.02 -0.83 -0.08 0.00 0.71 0.00 0.00 54.79 54.61 1x0p n ASP 4035Cb 0.03 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 1x0p n ASP 4035CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x0p n GLY 4036N 1.16 0.50 3.85 0.44 0.00 0.55 -4.74 105.19 106.95 1x0p n GLY 4036Ca 0.19 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1x0p n GLY 4036CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x0p s ILE 4037N -2.35 5.25 0.16 -0.61 1.01 0.12 -4.65 121.20 120.14 1x0p s ILE 4037Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.66 1x0p s ILE 4037Cb 0.00 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1x0p s ILE 4037CO 0.00 0.50 -0.08 0.42 0.00 0.00 0.00 174.94 175.77 1x0p s THR 4038N -1.12 1.14 -2.49 2.92 -4.23 -0.74 -4.23 115.64 106.89 1x0p s THR 4038Ca 0.19 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1x0p s THR 4038Cb -0.12 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1x0p s THR 4038CO 0.09 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 1x0p n GLY 4039N -0.24 -0.82 3.33 3.99 0.00 -0.57 -0.17 105.19 110.71 1x0p n GLY 4039Ca -0.09 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 1x0p n GLY 4039CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x0p s MET 4040N -1.00 0.62 -0.21 1.61 1.75 -1.01 -2.99 119.30 118.08 1x0p s MET 4040Ca 0.00 0.34 -0.02 0.00 -1.25 0.00 0.00 55.69 54.76 1x0p s MET 4040Cb 0.00 0.29 0.01 0.00 2.84 0.00 0.00 34.83 37.97 1x0p s MET 4040CO 0.00 -0.13 -0.11 -1.17 -0.65 0.00 0.00 175.02 172.97 1x0p s LEU 4041N -0.38 2.65 -0.19 4.11 0.20 0.10 -1.77 118.68 123.40 1x0p s LEU 4041Ca -0.05 -0.58 -0.11 0.00 0.69 0.00 0.00 54.13 54.08 1x0p s LEU 4041Cb -0.03 -1.62 -0.05 0.00 -0.43 0.00 0.00 46.19 44.05 1x0p s LEU 4041CO 0.03 -0.03 0.18 0.00 -0.29 0.00 0.00 176.35 176.23 1x0p s TYR 4043N 0.36 1.78 -0.18 0.00 5.04 -0.67 -0.92 117.35 122.76 1x0p s TYR 4043Ca 0.11 -0.97 -0.29 0.00 -2.44 0.00 0.00 57.07 53.47 1x0p s TYR 4043Cb -0.12 -1.39 0.12 0.00 0.35 0.00 0.00 41.96 40.93 1x0p s TYR 4043CO -0.00 -0.59 0.97 0.20 -1.34 0.00 0.00 175.55 174.79 1x0p s GLY 4044N 1.61 -0.27 -1.40 8.97 0.00 -0.66 -1.95 107.32 113.62 1x0p s GLY 4044Ca 0.04 2.13 -0.10 0.00 0.00 0.00 0.00 44.72 46.79 1x0p s GLY 4044CO -0.09 1.23 0.62 -2.01 0.00 0.00 0.00 173.10 172.85 1x0p n ASN 4045N 1.14 -4.21 -1.40 1.64 5.15 -1.26 -0.27 115.26 116.05 1x0p n ASN 4045Ca -0.12 -0.49 -0.15 0.00 -0.60 0.00 0.00 54.58 53.22 1x0p n ASN 4045Cb 0.57 -3.44 -0.04 0.00 -0.53 0.00 0.00 39.78 36.34 1x0p n ASN 4045CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x0p n GLY 4046N -1.33 0.70 3.28 8.20 0.00 -1.26 -4.99 105.19 109.79 1x0p n GLY 4046Ca -0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 1x0p n GLY 4046CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x0p s MET 4047N -3.95 1.12 -0.08 1.61 -1.94 0.63 -1.93 119.30 114.76 1x0p s MET 4047Ca 0.00 -1.24 0.03 0.00 -1.71 0.00 0.00 55.69 52.77 1x0p s MET 4047Cb 0.00 -1.20 -0.02 0.00 2.01 0.00 0.00 34.83 35.62 1x0p s MET 4047CO 0.00 0.26 -0.15 -0.06 -0.01 0.00 0.00 175.02 175.06 1x0p s PHE 4048N -1.68 2.71 -0.22 -0.03 2.99 0.89 -1.65 117.98 120.98 1x0p s PHE 4048Ca 0.09 -0.38 -0.04 0.00 0.00 0.00 0.00 56.93 56.60 1x0p s PHE 4048Cb -0.07 -1.70 0.08 0.00 0.00 0.00 0.00 43.02 41.33 1x0p s PHE 4048CO 0.05 0.01 0.10 -1.17 -0.00 0.00 0.00 175.22 174.21 1x0p s LEU 4049N -0.32 0.60 0.11 -0.37 2.96 -0.10 -1.28 118.68 120.28 1x0p s LEU 4049Ca 0.02 -0.93 0.09 0.00 -0.22 0.00 0.00 54.13 53.09 1x0p s LEU 4049Cb -0.13 -0.35 -0.04 0.00 0.50 0.00 0.00 46.19 46.18 1x0p s LEU 4049CO 0.03 -0.38 -0.23 -1.58 -1.32 0.00 0.00 176.35 172.86 1x0p s GLN 4050N 2.07 1.28 -0.01 1.98 0.74 -0.78 -0.06 119.66 124.88 1x0p s GLN 4050Ca 0.05 -1.21 0.05 0.00 0.05 0.00 0.00 55.36 54.30 1x0p s GLN 4050Cb -0.16 -1.62 -0.01 0.00 1.10 0.00 0.00 33.01 32.32 1x0p s GLN 4050CO -0.20 0.38 -0.18 -0.08 -0.55 0.00 0.00 175.29 174.67 1x0p s THR 4051N -1.08 1.40 -0.06 -0.34 -1.32 -0.73 -1.94 115.64 111.56 1x0p s THR 4051Ca 0.10 -0.76 0.02 0.00 -1.21 0.00 0.00 61.69 59.83 1x0p s THR 4051Cb -0.10 -1.16 0.02 0.00 -1.51 0.00 0.00 72.50 69.74 1x0p s THR 4051CO 0.05 0.39 -0.09 -0.76 -2.21 0.00 0.00 174.62 172.00 1x0p s LEU 4052N -0.43 1.48 -0.03 9.08 1.43 0.76 -2.39 118.68 128.57 1x0p s LEU 4052Ca 0.07 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 1x0p s LEU 4052Cb -0.07 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.45 1x0p s LEU 4052CO -0.01 -0.01 -0.20 -1.61 0.23 0.00 0.00 176.35 174.75 1x0p s GLU 4053N 0.85 2.29 0.00 1.70 2.02 0.77 0.28 118.70 126.61 1x0p s GLU 4053Ca -0.12 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.05 1x0p s GLU 4053Cb -0.15 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.86 1x0p s GLU 4053CO 0.01 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.29 1x0p n GLY 4054N 2.30 -0.25 3.77 -1.39 0.00 -0.08 -1.80 105.19 107.75 1x0p n GLY 4054Ca -0.17 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 1x0p n GLY 4054CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0p s ASP 4055N -4.00 5.83 0.16 1.61 -1.08 -1.26 -0.40 116.67 117.53 1x0p s ASP 4055Ca 0.00 2.94 -0.16 0.00 -0.52 0.00 0.00 52.55 54.81 1x0p s ASP 4055Cb 0.00 -2.65 0.06 0.00 -1.46 0.00 0.00 42.92 38.86 1x0p s ASP 4055CO 0.00 -1.21 1.78 -0.09 0.52 0.00 0.00 175.17 176.17 1x0p h ARG 4056N 2.28 0.37 -0.22 4.34 2.43 -1.91 0.42 114.38 122.11 1x0p h ARG 4056Ca -0.51 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.52 1x0p h ARG 4056Cb 1.27 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1x0p h ARG 4056CO 0.61 0.25 -0.31 0.37 -1.51 0.00 0.00 179.97 179.37 1x0p h GLN 4057N 0.38 0.60 -0.22 0.20 4.15 -1.92 -2.21 115.11 116.10 1x0p h GLN 4057Ca 0.17 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 1x0p h GLN 4057Cb 0.08 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1x0p h GLN 4057CO -0.12 0.96 0.10 0.87 -1.93 0.00 0.00 178.83 178.70 1x0p h LYS 4058N 0.28 0.33 -0.69 1.69 1.79 -1.90 -0.43 116.57 117.63 1x0p h LYS 4058Ca 0.02 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1x0p h LYS 4058Cb 0.89 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.45 1x0p h LYS 4058CO 0.07 0.36 0.42 0.28 -1.08 0.00 0.00 179.45 179.51 1x0p h VAL 4059N 0.21 1.20 -0.19 0.50 2.07 -0.96 -0.84 116.25 118.24 1x0p h VAL 4059Ca 0.07 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1x0p h VAL 4059Cb 0.15 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1x0p h VAL 4059CO -0.01 0.21 0.12 0.28 0.02 0.00 0.00 177.57 178.19 1x0p h SER 4060N 0.94 0.21 -0.79 0.57 0.02 -1.08 -1.61 113.55 111.81 1x0p h SER 4060Ca 0.25 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1x0p h SER 4060Cb -0.03 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1x0p h SER 4060CO -0.05 0.15 0.33 -0.33 -1.14 0.00 0.00 176.83 175.79 1x0p h GLU 4061N 0.25 1.18 -0.83 3.45 5.08 -0.79 -1.47 114.58 121.44 1x0p h GLU 4061Ca 0.07 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1x0p h GLU 4061Cb -0.02 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 1x0p h GLU 4061CO -0.02 0.94 0.54 1.15 -1.00 0.00 0.00 179.01 180.63 1x0p h THR 4062N 1.15 1.19 -0.81 1.13 2.02 -0.87 -1.26 112.91 115.45 1x0p h THR 4062Ca 0.27 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1x0p h THR 4062Cb 0.20 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 1x0p h THR 4062CO -0.02 0.20 0.44 0.22 0.37 0.00 0.00 175.52 176.73 1x0p h TYR 4063N 1.10 1.12 -0.76 3.16 3.20 -0.76 -0.81 116.97 123.22 1x0p h TYR 4063Ca 0.31 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.17 1x0p h TYR 4063Cb -0.09 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 37.79 1x0p h TYR 4063CO -0.02 0.78 0.50 0.00 -1.64 0.00 0.00 178.16 177.78 1x0p h ALA 4064N 1.23 0.98 -0.39 1.82 0.00 -0.24 -1.03 119.26 121.63 1x0p h ALA 4064Ca 0.29 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1x0p h ALA 4064Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1x0p h ALA 4064CO -0.05 0.34 -0.00 0.00 0.00 0.00 0.00 179.25 179.55 1x0p h ARG 4065N 1.00 0.69 -0.89 0.00 3.08 -0.77 -2.95 114.38 114.54 1x0p h ARG 4065Ca 0.29 -0.22 0.10 0.00 0.07 0.00 0.00 59.98 60.22 1x0p h ARG 4065Cb -0.07 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 29.84 1x0p h ARG 4065CO -0.08 0.79 0.53 0.82 -1.07 0.00 0.00 179.97 180.95 1x0p h ILE 4066N 0.52 0.92 0.00 2.04 2.04 -0.58 0.12 117.51 122.57 1x0p h ILE 4066Ca 0.11 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1x0p h ILE 4066Cb 0.47 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1x0p h ILE 4066CO 0.02 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.51 1x0p n LEU 4067N -4.70 0.05 0.01 1.44 4.77 -0.44 -1.24 117.00 116.89 1x0p n LEU 4067Ca 0.15 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.76 1x0p n LEU 4067Cb 0.30 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 40.93 1x0p n LEU 4067CO 0.27 -0.41 0.14 0.29 -1.33 0.00 0.00 177.39 176.35 1x0p n LYS 4068N -1.56 0.09 -2.39 3.23 5.02 0.42 -4.86 118.16 118.10 1x0p n LYS 4068Ca 0.02 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 1x0p n LYS 4068Cb 0.09 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 1x0p n LYS 4068CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x0p s ASP 4069N -3.29 6.68 0.00 4.39 -1.08 -0.37 -4.88 116.67 118.12 1x0p s ASP 4069Ca 0.08 1.30 0.14 0.00 -0.52 0.00 0.00 52.55 53.55 1x0p s ASP 4069Cb 0.16 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.83 1x0p s ASP 4069CO 0.79 -1.06 1.38 -0.81 0.52 0.00 0.00 175.17 175.99 1x0p n PRO 4070N 7.26 0.24 0.00 4.34 -0.04 -1.26 -3.21 135.00 142.33 1x0p n PRO 4070Ca 0.15 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.78 1x0p n PRO 4070Cb 0.46 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.69 1x0p n PRO 4070CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x0p n ARG 4071N -1.24 0.73 -3.81 0.54 1.74 -1.26 -4.78 116.66 108.57 1x0p n ARG 4071Ca 0.07 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.10 1x0p n ARG 4071Cb 0.10 -1.19 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 1x0p n ARG 4071CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1x0p s HIS 4072N -2.00 -0.14 0.28 -1.55 -3.43 -1.20 -2.00 115.29 105.26 1x0p s HIS 4072Ca 0.13 -0.27 -0.11 0.00 -0.80 0.00 0.00 55.06 54.01 1x0p s HIS 4072Cb 0.06 0.69 0.04 0.00 -1.43 0.00 0.00 32.58 31.94 1x0p s HIS 4072CO 0.10 -1.08 0.58 -2.39 -2.00 0.00 0.00 174.74 169.96 1x0p n HIS 4073N -0.48 -1.96 -3.95 0.38 1.44 0.51 -4.83 115.22 106.33 1x0p n HIS 4073Ca -0.05 -1.33 -0.28 0.00 -2.01 0.00 0.00 57.72 54.05 1x0p n HIS 4073Cb 0.60 0.67 -0.00 0.00 0.12 0.00 0.00 29.99 31.37 1x0p n HIS 4073CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1x0p n SER 4074N -1.38 -1.90 -4.77 4.39 7.64 -1.26 -0.34 113.62 116.01 1x0p n SER 4074Ca -0.06 -0.93 -0.36 0.00 1.01 0.00 0.00 58.87 58.52 1x0p n SER 4074Cb 0.43 -3.33 -0.01 0.00 -1.01 0.00 0.00 64.21 60.29 1x0p n SER 4074CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x0p s ALA 4075N -3.65 2.91 -0.03 -0.43 0.00 -1.26 -4.21 121.76 115.09 1x0p s ALA 4075Ca 0.27 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1x0p s ALA 4075Cb -0.14 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1x0p s ALA 4075CO 0.87 -0.63 0.07 -1.21 0.00 0.00 0.00 175.76 174.86 1x0p s GLU 4076N -2.84 0.01 0.07 0.00 2.02 0.97 -4.97 118.70 113.96 1x0p s GLU 4076Ca 0.65 0.24 -0.30 0.00 0.02 0.00 0.00 54.97 55.58 1x0p s GLU 4076Cb -0.26 -0.20 -0.05 0.00 0.10 0.00 0.00 34.13 33.71 1x0p s GLU 4076CO 0.32 -0.15 1.06 0.42 0.02 0.00 0.00 175.26 176.92 1x0p s ILE 4077N 1.02 4.39 -0.27 -1.63 1.01 -1.26 -0.80 121.20 123.66 1x0p s ILE 4077Ca -0.08 1.82 -0.13 0.00 0.00 0.00 0.00 60.65 62.26 1x0p s ILE 4077Cb -0.11 -4.17 -0.14 0.00 0.01 0.00 0.00 42.46 38.06 1x0p s ILE 4077CO -0.04 0.20 -0.27 0.52 0.00 0.00 0.00 174.94 175.35 1x0p n VAL 4078N 3.41 1.53 -3.47 2.92 0.31 0.16 -4.93 118.33 118.26 1x0p n VAL 4078Ca 0.05 -0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 63.90 1x0p n VAL 4078Cb 0.49 -1.84 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 1x0p n VAL 4078CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1x0p s GLU 4079N -2.50 1.04 -0.25 5.55 -1.05 -0.63 -4.65 118.70 116.21 1x0p s GLU 4079Ca -0.37 -0.29 -0.07 0.00 -0.15 0.00 0.00 54.97 54.08 1x0p s GLU 4079Cb 0.13 0.48 0.12 0.00 -0.44 0.00 0.00 34.13 34.42 1x0p s GLU 4079CO 0.52 -0.44 0.51 0.12 0.95 0.00 0.00 175.26 176.93 1x0p s PHE 4080N -3.09 -1.07 0.22 4.83 5.36 -1.26 -1.29 117.98 121.69 1x0p s PHE 4080Ca 0.01 1.78 -0.22 0.00 -0.96 0.00 0.00 56.93 57.55 1x0p s PHE 4080Cb -0.01 0.49 0.04 0.00 -0.34 0.00 0.00 43.02 43.20 1x0p s PHE 4080CO -0.08 -0.60 0.66 -1.59 -1.46 0.00 0.00 175.22 172.14 1x0p s LYS 4081N 2.73 1.53 0.29 10.12 -2.85 -1.03 -5.00 119.74 125.53 1x0p s LYS 4081Ca -0.00 -0.73 -0.29 0.00 -1.00 0.00 0.00 55.97 53.95 1x0p s LYS 4081Cb -0.13 0.60 -0.09 0.00 -2.06 0.00 0.00 37.83 36.15 1x0p s LYS 4081CO -0.16 -0.69 1.02 0.00 0.10 0.00 0.00 175.35 175.63 1x0p s ALA 4082N -3.83 3.32 0.11 0.59 0.00 -1.26 -1.20 121.76 119.48 1x0p s ALA 4082Ca 0.06 0.74 0.08 0.00 0.00 0.00 0.00 51.96 52.84 1x0p s ALA 4082Cb -0.03 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1x0p s ALA 4082CO -0.03 -0.01 -0.21 0.96 0.00 0.00 0.00 175.76 176.48 1x0p s ILE 4083N -1.29 1.71 0.06 0.00 -4.36 -0.21 -4.88 121.20 112.24 1x0p s ILE 4083Ca 0.46 -1.57 -0.08 0.00 -0.26 0.00 0.00 60.65 59.19 1x0p s ILE 4083Cb -0.27 -1.58 -0.31 0.00 1.25 0.00 0.00 42.46 41.56 1x0p s ILE 4083CO 0.34 -0.09 1.10 -0.08 0.24 0.00 0.00 174.94 176.45 1x0p h GLU 4084N 4.00 0.37 -3.58 0.37 4.81 -1.97 -3.42 114.58 115.17 1x0p h GLU 4084Ca -0.46 -0.63 -0.09 0.00 -0.13 0.00 0.00 59.36 58.05 1x0p h GLU 4084Cb 1.18 0.23 -0.16 0.00 0.63 0.00 0.00 28.75 30.64 1x0p h GLU 4084CO 0.41 1.30 -0.33 -1.83 -0.73 0.00 0.00 179.01 177.83 1x0p s GLU 4085N -2.66 0.80 0.45 1.92 -1.05 -1.26 -5.06 118.70 111.85 1x0p s GLU 4085Ca -0.06 -0.73 -0.16 0.00 -0.15 0.00 0.00 54.97 53.87 1x0p s GLU 4085Cb 0.06 0.34 -0.08 0.00 -0.44 0.00 0.00 34.13 34.00 1x0p s GLU 4085CO 0.91 -0.25 0.91 1.03 0.95 0.00 0.00 175.26 178.80 1x0p s ARG 4086N -3.14 3.99 -0.16 -4.83 0.52 -1.26 -4.99 118.95 109.08 1x0p s ARG 4086Ca -0.01 0.87 -0.01 0.00 -0.52 0.00 0.00 55.73 56.06 1x0p s ARG 4086Cb 0.01 -2.23 -0.09 0.00 0.52 0.00 0.00 34.95 33.16 1x0p s ARG 4086CO -0.07 -0.12 -0.16 2.41 0.02 0.00 0.00 175.30 177.38 1x0p n THR 4087N -1.17 0.91 -2.85 0.02 -1.04 -1.26 -4.73 114.28 104.15 1x0p n THR 4087Ca 0.06 -0.32 -0.43 0.00 -2.04 0.00 0.00 64.05 61.32 1x0p n THR 4087Cb 0.54 -1.24 0.01 0.00 -1.82 0.00 0.00 70.33 67.82 1x0p n THR 4087CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1x0p n PHE 4088N -3.17 2.83 0.01 -1.42 3.72 -1.26 -4.76 117.46 113.41 1x0p n PHE 4088Ca -0.29 -2.79 -0.21 0.00 -0.05 0.00 0.00 57.45 54.10 1x0p n PHE 4088Cb 0.78 -1.52 -0.14 0.00 -0.94 0.00 0.00 39.48 37.66 1x0p n PHE 4088CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1x0p h ILE 4089N 3.58 1.06 -1.01 4.37 2.04 -1.94 -3.28 117.51 122.33 1x0p h ILE 4089Ca 0.26 -2.40 0.25 0.00 1.00 0.00 0.00 64.86 63.96 1x0p h ILE 4089Cb 0.65 2.74 -0.12 0.00 -0.74 0.00 0.00 36.82 39.35 1x0p h ILE 4089CO 1.38 0.70 0.61 0.78 0.00 0.00 0.00 178.15 181.62 1x0p h ASN 4090N -0.32 0.63 -4.41 1.72 2.35 -1.95 -3.43 115.58 110.16 1x0p h ASN 4090Ca -0.29 0.13 -0.65 0.00 -0.55 0.00 0.00 56.30 54.93 1x0p h ASN 4090Cb 1.74 0.03 -0.28 0.00 0.05 0.00 0.00 38.32 39.86 1x0p h ASN 4090CO 0.06 0.10 -0.87 0.26 -1.65 0.00 0.00 177.43 175.33 1x0p s TRP 4091N -5.72 2.12 0.46 1.19 0.51 -1.26 -4.97 118.94 111.27 1x0p s TRP 4091Ca -0.10 -0.40 0.17 0.00 -2.12 0.00 0.00 56.10 53.65 1x0p s TRP 4091Cb 0.27 -1.32 1.14 0.00 -0.81 0.00 0.00 33.47 32.75 1x0p s TRP 4091CO 0.80 0.04 2.04 0.66 -0.51 0.00 0.00 176.95 179.97 1x0p h SER 4092N 5.19 0.00 0.00 2.95 4.64 -1.83 -1.52 113.55 122.98 1x0p h SER 4092Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1x0p h SER 4092Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1x0p h SER 4092CO 0.46 0.14 0.00 0.80 -0.87 0.00 0.00 176.83 177.36 1x0p n MET 4093N -4.23 0.00 -5.07 4.77 0.00 -1.26 -3.29 117.12 108.05 1x0p n MET 4093Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.70 57.39 1x0p n MET 4093Cb 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.28 1x0p n MET 4093CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1x0p s ARG 4094N 0.00 1.97 -0.17 2.12 3.03 -1.16 -4.79 118.95 119.95 1x0p s ARG 4094Ca 0.00 -0.77 -0.14 0.00 2.03 0.00 0.00 55.73 56.84 1x0p s ARG 4094Cb 0.00 -1.79 -0.04 0.00 -1.03 0.00 0.00 34.95 32.08 1x0p s ARG 4094CO 0.00 0.40 0.32 -1.17 -1.13 0.00 0.00 175.30 173.72 1x0p s LEU 4095N -0.30 4.22 -0.22 -1.89 2.96 -1.26 0.00 118.68 122.19 1x0p s LEU 4095Ca 0.03 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 1x0p s LEU 4095Cb -0.10 -2.41 0.05 0.00 0.50 0.00 0.00 46.19 44.22 1x0p s LEU 4095CO 0.01 0.06 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.30 1x0p s VAL 4096N 0.65 1.83 -0.35 1.68 1.01 -0.02 -4.96 120.40 120.25 1x0p s VAL 4096Ca 0.17 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 1x0p s VAL 4096Cb -0.13 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1x0p s VAL 4096CO 0.05 0.11 0.35 -1.10 0.00 0.00 0.00 175.10 174.51 1x0p s GLN 4097N 1.29 3.53 0.24 2.72 -0.21 -1.26 -1.68 119.66 124.30 1x0p s GLN 4097Ca -0.04 -0.47 -0.05 0.00 0.02 0.00 0.00 55.36 54.83 1x0p s GLN 4097Cb -0.17 -3.81 0.39 0.00 1.00 0.00 0.00 33.01 30.42 1x0p s GLN 4097CO -0.07 -0.53 1.80 -0.07 -2.12 0.00 0.00 175.29 174.29 1x0p h LEU 4098N 8.72 0.60 0.00 2.90 3.38 -1.80 -1.24 115.31 127.87 1x0p h LEU 4098Ca -0.30 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1x0p h LEU 4098Cb 1.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1x0p h LEU 4098CO 0.69 0.34 0.00 0.61 0.09 0.00 0.00 178.44 180.17 1x0p n GLY 4099N -1.32 -0.48 0.42 0.83 0.00 -1.26 -0.98 105.19 102.40 1x0p n GLY 4099Ca 0.13 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1x0p n GLY 4099CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x0p n GLU 4100N -1.33 1.52 -2.23 1.61 -0.58 -0.47 -5.00 120.64 114.16 1x0p n GLU 4100Ca 0.02 -0.89 -0.12 0.00 -0.42 0.00 0.00 57.16 55.75 1x0p n GLU 4100Cb 0.04 -1.35 0.03 0.00 -0.57 0.00 0.00 31.44 29.60 1x0p n GLU 4100CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1x0p n MET 4101N -0.07 0.82 -1.87 3.49 2.81 -0.15 -5.02 117.12 117.13 1x0p n MET 4101Ca 0.08 -1.80 -0.43 0.00 -1.81 0.00 0.00 57.70 53.74 1x0p n MET 4101Cb 0.39 -0.08 -0.03 0.00 -0.71 0.00 0.00 33.22 32.79 1x0p n MET 4101CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1x0p s ASP 4102N -3.01 6.12 0.26 7.83 3.68 -1.26 -4.87 116.67 125.41 1x0p s ASP 4102Ca 0.32 1.91 -0.03 0.00 2.13 0.00 0.00 52.55 56.88 1x0p s ASP 4102Cb -0.03 -2.53 0.55 0.00 -1.45 0.00 0.00 42.92 39.46 1x0p s ASP 4102CO 0.20 -1.43 1.67 -1.28 0.13 0.00 0.00 175.17 174.47 1x0p h SER 4103N 11.99 0.02 0.30 -0.34 0.87 -1.95 -0.65 113.55 123.78 1x0p h SER 4103Ca -0.39 0.16 -0.23 0.00 -1.23 0.00 0.00 61.79 60.10 1x0p h SER 4103Cb 1.20 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1x0p h SER 4103CO 0.98 -0.07 -0.96 0.44 -0.53 0.00 0.00 176.83 176.69 1x0p h ASP 4104N 0.26 0.58 -0.42 6.23 3.32 -1.99 -2.42 116.42 121.97 1x0p h ASP 4104Ca 0.46 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x0p h ASP 4104Cb 0.84 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1x0p h ASP 4104CO -0.56 1.26 0.27 0.74 -1.72 0.00 0.00 179.24 179.24 1x0p h THR 4105N 0.25 1.11 -0.34 0.35 2.02 -1.63 -1.54 112.91 113.13 1x0p h THR 4105Ca -0.09 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 1x0p h THR 4105Cb 1.59 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1x0p h THR 4105CO 0.17 0.11 -0.37 0.40 0.37 0.00 0.00 175.52 176.19 1x0p h ILE 4106N 0.56 1.28 -0.40 3.11 5.03 -1.21 -1.60 117.51 124.29 1x0p h ILE 4106Ca 0.15 -1.54 0.05 0.00 -0.12 0.00 0.00 64.86 63.40 1x0p h ILE 4106Cb -0.06 1.42 -0.04 0.00 -3.03 0.00 0.00 36.82 35.10 1x0p h ILE 4106CO -0.03 0.50 0.14 -0.09 -0.68 0.00 0.00 178.15 177.99 1x0p h ARG 4107N 0.65 0.30 -0.37 2.37 2.43 -1.13 0.44 114.38 119.07 1x0p h ARG 4107Ca 0.06 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1x0p h ARG 4107Cb 0.92 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1x0p h ARG 4107CO 0.08 0.20 -0.29 0.00 -1.51 0.00 0.00 179.97 178.45 1x0p h ARG 4108N 0.31 0.79 -0.45 0.20 3.08 -1.21 -0.86 114.38 116.23 1x0p h ARG 4108Ca 0.18 -0.35 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 1x0p h ARG 4108Cb 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1x0p h ARG 4108CO -0.18 0.98 -0.23 1.25 -1.07 0.00 0.00 179.97 180.71 1x0p h LEU 4109N 0.67 0.97 -0.54 3.04 5.85 -0.75 0.13 115.31 124.67 1x0p h LEU 4109Ca 0.08 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 1x0p h LEU 4109Cb 0.82 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1x0p h LEU 4109CO 0.07 1.15 -0.17 -0.09 -0.34 0.00 0.00 178.44 179.06 1x0p h ARG 4110N 0.81 1.00 -0.32 1.25 1.12 0.00 -2.87 114.38 115.37 1x0p h ARG 4110Ca 0.10 -0.40 -0.10 0.00 -1.11 0.00 0.00 59.98 58.47 1x0p h ARG 4110Cb 0.80 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.71 1x0p h ARG 4110CO 0.07 1.08 -0.21 -0.07 -3.11 0.00 0.00 179.97 177.72 1x0p h LEU 4111N 0.87 0.73 -1.58 3.80 3.38 -1.03 -2.45 115.31 119.04 1x0p h LEU 4111Ca 0.12 -0.43 0.17 0.00 0.09 0.00 0.00 57.88 57.83 1x0p h LEU 4111Cb 0.74 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1x0p h LEU 4111CO 0.06 1.01 0.53 0.50 0.09 0.00 0.00 178.44 180.63 1x0p h LYS 4112N 0.46 0.38 -0.07 1.13 3.64 -0.59 -2.68 116.57 118.85 1x0p h LYS 4112Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1x0p h LYS 4112Cb 0.76 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1x0p h LYS 4112CO 0.06 0.25 -0.00 0.66 -2.27 0.00 0.00 179.45 178.15 1x0p n TYR 4113N -4.48 0.26 -3.49 1.91 4.02 -1.10 -5.04 117.16 109.24 1x0p n TYR 4113Ca 0.16 -0.97 -0.13 0.00 -0.01 0.00 0.00 57.90 56.95 1x0p n TYR 4113Cb 0.59 -0.20 -0.04 0.00 -0.02 0.00 0.00 39.34 39.68 1x0p n TYR 4113CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1x0p s SER 4114N -2.62 -0.52 -0.03 7.72 1.04 -0.93 -4.79 113.70 113.57 1x0p s SER 4114Ca 0.35 0.28 0.14 0.00 0.48 0.00 0.00 55.95 57.19 1x0p s SER 4114Cb 0.30 0.49 0.44 0.00 0.10 0.00 0.00 66.02 67.35 1x0p s SER 4114CO 0.05 -0.69 1.34 -0.81 0.98 0.00 0.00 173.24 174.11 1x0p n PRO 4115N 0.21 2.38 -3.58 4.02 -0.04 -1.26 -4.51 135.00 132.22 1x0p n PRO 4115Ca -0.15 -1.79 -0.30 0.00 -0.04 0.00 0.00 63.50 61.23 1x0p n PRO 4115Cb 0.61 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 1x0p n PRO 4115CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x0p s ALA 4116N -1.51 3.75 -0.89 0.55 0.00 -1.26 -4.99 121.76 117.41 1x0p s ALA 4116Ca 0.33 -0.62 0.27 0.00 0.00 0.00 0.00 51.96 51.94 1x0p s ALA 4116Cb 0.19 -2.15 0.88 0.00 0.00 0.00 0.00 23.12 22.03 1x0p s ALA 4116CO 0.20 0.49 1.71 0.00 0.00 0.00 0.00 175.76 178.15 1x0p n ALA 4117N -0.40 2.63 -2.38 0.00 0.00 -1.26 -4.72 120.51 114.38 1x0p n ALA 4117Ca -0.03 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1x0p n ALA 4117Cb 0.53 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 1x0p n ALA 4117CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x0p s THR 4118N -3.05 0.00 -0.14 0.00 -4.23 -1.26 -5.10 115.64 101.86 1x0p s THR 4118Ca 0.12 -1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 58.44 1x0p s THR 4118Cb 0.16 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 1x0p s THR 4118CO 0.60 0.00 1.86 0.12 -0.54 0.00 0.00 174.62 176.66 1x0p s PHE 4119N -4.09 1.65 -0.40 3.99 5.36 -1.26 -4.91 117.98 118.32 1x0p s PHE 4119Ca 0.36 0.25 0.03 0.00 -0.96 0.00 0.00 56.93 56.62 1x0p s PHE 4119Cb 0.05 -4.03 0.16 0.00 -0.34 0.00 0.00 43.02 38.86 1x0p s PHE 4119CO 0.12 -3.97 0.38 -0.65 -1.46 0.00 0.00 175.22 169.64 1x0p s GLN 4120N 4.98 0.77 0.57 10.12 -1.52 -1.26 -4.83 119.66 128.49 1x0p s GLN 4120Ca 0.83 -1.41 0.27 0.00 -1.95 0.00 0.00 55.36 53.10 1x0p s GLN 4120Cb -0.32 -0.98 1.53 0.00 -0.22 0.00 0.00 33.01 33.02 1x0p s GLN 4120CO 0.34 -1.28 2.04 -1.00 -0.25 0.00 0.00 175.29 175.14 1x0p h PRO 4121N 6.30 0.00 0.00 2.91 0.13 -1.94 -1.24 132.00 138.15 1x0p h PRO 4121Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1x0p h PRO 4121Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1x0p h PRO 4121CO 0.24 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 177.99 1x0p h ARG 4122N 0.00 0.00 -0.45 0.86 3.08 -1.98 -0.71 114.38 115.19 1x0p h ARG 4122Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1x0p h ARG 4122Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1x0p h ARG 4122CO -0.00 0.02 0.00 -1.13 -1.07 0.00 0.00 179.97 177.79 1x0p n SER 4123N -3.36 2.65 -4.65 7.04 3.41 -0.47 -4.92 113.62 113.33 1x0p n SER 4123Ca -0.02 -1.96 -0.29 0.00 -0.26 0.00 0.00 58.87 56.34 1x0p n SER 4123Cb 0.13 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 63.71 1x0p n SER 4123CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1x0p s MET 4124N -1.41 2.39 0.80 4.33 -1.94 -0.28 -4.61 119.30 118.59 1x0p s MET 4124Ca 0.34 -0.96 -0.07 0.00 -1.71 0.00 0.00 55.69 53.29 1x0p s MET 4124Cb 0.18 -2.43 0.14 0.00 2.01 0.00 0.00 34.83 34.73 1x0p s MET 4124CO 0.25 0.51 1.11 0.95 -0.01 0.00 0.00 175.02 177.83 1x0p s THR 4125N -1.40 2.12 0.10 2.05 -4.23 -1.26 -4.87 115.64 108.15 1x0p s THR 4125Ca 0.25 -0.32 -0.20 0.00 -1.18 0.00 0.00 61.69 60.24 1x0p s THR 4125Cb -0.11 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.84 1x0p s THR 4125CO 0.17 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.91 1x0p h ALA 4126N -0.93 0.25 -0.89 3.99 0.00 -1.98 -0.94 119.26 118.76 1x0p h ALA 4126Ca -0.41 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1x0p h ALA 4126Cb 1.27 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1x0p h ALA 4126CO 0.44 -0.18 0.59 1.49 0.00 0.00 0.00 179.25 181.59 1x0p h GLU 4127N 0.17 1.15 -0.21 0.00 4.57 -1.95 -0.04 114.58 118.28 1x0p h GLU 4127Ca 0.07 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1x0p h GLU 4127Cb 0.14 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1x0p h GLU 4127CO -0.01 0.76 -0.06 1.96 -1.18 0.00 0.00 179.01 180.49 1x0p h GLN 4128N 1.19 0.40 -0.70 1.92 4.20 -1.82 -1.50 115.11 118.80 1x0p h GLN 4128Ca 0.33 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1x0p h GLN 4128Cb -0.11 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1x0p h GLN 4128CO -0.08 0.66 0.41 0.00 -0.67 0.00 0.00 178.83 179.16 1x0p h PHE 4130N 0.96 -1.22 -0.64 0.00 3.57 -0.89 -0.88 116.94 117.84 1x0p h PHE 4130Ca 0.25 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.77 1x0p h PHE 4130Cb -0.01 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1x0p h PHE 4130CO -0.01 -0.74 0.42 0.00 -2.23 0.00 0.00 178.31 175.75 1x0p h ARG 4131N -1.27 0.68 0.34 1.11 3.08 -1.23 0.11 114.38 117.20 1x0p h ARG 4131Ca -0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1x0p h ARG 4131Cb 0.99 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1x0p h ARG 4131CO 0.19 0.45 -0.16 0.35 -1.07 0.00 0.00 179.97 179.73 1x0p h PHE 4132N 0.70 -0.42 -0.26 3.04 3.57 -0.95 -1.22 116.94 121.40 1x0p h PHE 4132Ca 0.26 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1x0p h PHE 4132Cb 0.16 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1x0p h PHE 4132CO -0.00 -0.23 0.14 -0.07 -2.23 0.00 0.00 178.31 175.92 1x0p h LEU 4133N -0.50 0.21 -1.03 0.59 3.38 -0.48 -1.60 115.31 115.88 1x0p h LEU 4133Ca -0.05 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1x0p h LEU 4133Cb 0.38 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1x0p h LEU 4133CO 0.08 0.16 0.64 0.50 0.09 0.00 0.00 178.44 179.90 1x0p h LYS 4134N 0.29 1.06 -0.34 1.13 3.64 -0.71 0.39 116.57 122.03 1x0p h LYS 4134Ca 0.10 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1x0p h LYS 4134Cb 0.02 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1x0p h LYS 4134CO -0.06 0.70 -0.32 0.93 -2.27 0.00 0.00 179.45 178.43 1x0p h GLU 4135N 1.10 0.74 -0.59 1.90 5.08 -0.75 0.07 114.58 122.13 1x0p h GLU 4135Ca 0.45 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1x0p h GLU 4135Cb 0.28 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1x0p h GLU 4135CO -0.20 0.96 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.65 1x0p h LEU 4136N 0.62 1.06 -0.05 1.33 3.38 -0.24 -2.22 115.31 119.19 1x0p h LEU 4136Ca 0.07 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1x0p h LEU 4136Cb 0.85 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1x0p h LEU 4136CO 0.07 1.13 0.02 0.22 0.09 0.00 0.00 178.44 179.97 1x0p h TYR 4137N 0.96 0.03 0.00 1.13 3.20 0.01 0.99 116.97 123.28 1x0p h TYR 4137Ca 0.16 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1x0p h TYR 4137Cb 0.61 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1x0p h TYR 4137CO 0.04 0.02 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.08 1x0p h ASP 4138N 0.04 0.00 0.06 -2.11 3.45 -0.81 -3.04 116.42 114.00 1x0p h ASP 4138Ca 0.02 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.24 1x0p h ASP 4138Cb 0.01 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 1x0p h ASP 4138CO -0.02 0.06 -1.29 0.24 -1.57 0.00 0.00 179.24 176.66 1x0p h MET 4139N 0.00 0.12 -0.89 3.56 2.86 -0.84 -3.35 114.93 116.39 1x0p h MET 4139Ca -0.00 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1x0p h MET 4139Cb 0.19 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1x0p h MET 4139CO 0.01 1.10 0.00 0.43 1.06 0.00 0.00 176.91 179.51 1x0p n SER 4140N -4.14 1.07 -0.68 1.22 7.64 0.29 -4.24 113.62 114.77 1x0p n SER 4140Ca -0.27 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.36 1x0p n SER 4140Cb 0.79 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1x0p n SER 4140CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x0p n GLN 4141N 0.36 0.59 0.00 1.43 1.13 -1.20 -5.01 117.38 114.68 1x0p n GLN 4141Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1x0p n GLN 4141Cb 0.21 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1x0p n GLN 4141CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03