#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwd s LYS 1002N 0.00 4.29 -0.13 1.64 2.20 -1.25 -4.92 119.74 121.57 3jwd s LYS 1002Ca 0.00 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 3jwd s LYS 1002Cb 0.00 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 3jwd s LYS 1002CO 0.00 -0.35 -0.13 0.08 -0.36 0.00 0.00 175.35 174.59 3jwd s VAL 1003N -0.33 1.44 -0.18 4.02 1.01 -1.26 -1.57 120.40 123.53 3jwd s VAL 1003Ca 0.56 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 3jwd s VAL 1003Cb -0.41 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3jwd s VAL 1003CO 0.46 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 175.17 3jwd s VAL 1004N 1.42 2.68 -0.14 2.92 1.01 -0.36 -5.00 120.40 122.93 3jwd s VAL 1004Ca 0.02 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 3jwd s VAL 1004Cb -0.13 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 3jwd s VAL 1004CO -0.08 0.50 0.22 -0.76 0.00 0.00 0.00 175.10 174.97 3jwd s LEU 1005N 1.13 4.30 0.25 3.92 1.43 -1.26 -2.74 118.68 125.71 3jwd s LEU 1005Ca 0.01 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 3jwd s LEU 1005Cb -0.14 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 3jwd s LEU 1005CO -0.05 0.23 -0.03 -0.83 0.23 0.00 0.00 176.35 175.90 3jwd s GLY 1006N -0.12 1.67 -0.08 -3.19 0.00 -0.01 -4.97 107.32 100.61 3jwd s GLY 1006Ca 0.14 -1.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.04 3jwd s GLY 1006CO 0.03 -1.74 -0.05 0.54 0.00 0.00 0.00 173.10 171.88 3jwd s LYS 1007N -3.80 2.93 0.41 2.90 1.02 -1.26 -2.34 119.74 119.60 3jwd s LYS 1007Ca 0.29 -0.51 -0.26 0.00 0.02 0.00 0.00 55.97 55.50 3jwd s LYS 1007Cb 0.05 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.58 3jwd s LYS 1007CO 0.10 0.61 1.37 1.17 -0.92 0.00 0.00 175.35 177.69 3jwd n LYS 1008N 2.39 2.23 -0.77 1.68 4.81 -0.14 -2.10 118.16 126.25 3jwd n LYS 1008Ca -0.18 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 3jwd n LYS 1008Cb 0.53 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.06 3jwd n LYS 1008CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3jwd n GLY 1009N 0.65 0.93 0.00 3.14 0.00 -0.27 -4.77 105.19 104.87 3jwd n GLY 1009Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3jwd n GLY 1009CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3jwd n ASP 1010N 0.00 0.00 -3.65 1.61 2.03 -0.89 -4.40 116.55 111.24 3jwd n ASP 1010Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 3jwd n ASP 1010Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 3jwd n ASP 1010CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3jwd s THR 1011N 2.05 -0.50 -0.09 5.18 2.01 -1.26 -0.71 115.64 122.31 3jwd s THR 1011Ca 0.00 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.24 3jwd s THR 1011Cb 0.00 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 3jwd s THR 1011CO 0.00 0.09 -0.12 0.54 -0.69 0.00 0.00 174.62 174.44 3jwd s VAL 1012N 2.49 3.19 -0.39 3.82 0.11 -0.97 -4.98 120.40 123.67 3jwd s VAL 1012Ca 0.00 -0.64 -0.03 0.00 -2.93 0.00 0.00 61.98 58.38 3jwd s VAL 1012Cb -0.12 -2.30 0.09 0.00 -1.53 0.00 0.00 36.38 32.52 3jwd s VAL 1012CO -0.10 0.56 0.17 -0.70 -3.33 0.00 0.00 175.10 171.70 3jwd s GLU 1013N -0.25 2.15 -0.06 1.54 2.12 -1.26 -1.48 118.70 121.46 3jwd s GLU 1013Ca 0.02 -1.67 -0.30 0.00 0.36 0.00 0.00 54.97 53.38 3jwd s GLU 1013Cb -0.13 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 3jwd s GLU 1013CO 0.03 -0.97 1.03 -0.51 -0.54 0.00 0.00 175.26 174.31 3jwd s LEU 1014N 1.19 4.29 0.53 2.70 1.43 -0.18 -4.89 118.68 123.76 3jwd s LEU 1014Ca 0.05 1.63 -0.05 0.00 -1.03 0.00 0.00 54.13 54.73 3jwd s LEU 1014Cb -0.22 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 3jwd s LEU 1014CO -0.03 -0.42 0.83 0.42 0.23 0.00 0.00 176.35 177.38 3jwd s THR 1015N 1.73 4.15 -0.30 5.49 -4.23 -1.26 -0.05 115.64 121.17 3jwd s THR 1015Ca 0.51 0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.98 3jwd s THR 1015Cb -0.20 -3.60 0.17 0.00 1.34 0.00 0.00 72.50 70.20 3jwd s THR 1015CO 0.22 -0.59 0.64 0.00 -0.54 0.00 0.00 174.62 174.35 3jwd s THR 1017N 2.87 3.11 0.49 0.00 -4.23 -1.26 -0.71 115.64 115.90 3jwd s THR 1017Ca 0.11 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.18 3jwd s THR 1017Cb -0.14 -2.47 0.05 0.00 1.34 0.00 0.00 72.50 71.28 3jwd s THR 1017CO -0.20 0.03 0.40 0.00 -0.54 0.00 0.00 174.62 174.31 3jwd n ALA 1018N 0.52 0.79 0.11 3.99 0.00 -1.14 -5.01 120.51 119.77 3jwd n ALA 1018Ca -0.13 -1.96 -0.05 0.00 0.00 0.00 0.00 53.44 51.30 3jwd n ALA 1018Cb 0.53 0.78 -0.02 0.00 0.00 0.00 0.00 19.45 20.74 3jwd n ALA 1018CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3jwd h SER 1019N 0.54 -0.28 -3.05 0.00 4.64 -1.97 -3.46 113.55 109.97 3jwd h SER 1019Ca -0.30 0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.49 3jwd h SER 1019Cb 1.13 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3jwd h SER 1019CO 0.47 -0.02 -0.26 0.00 -0.87 0.00 0.00 176.83 176.15 3jwd s GLN 1020N -2.73 3.59 -1.28 4.77 0.00 -1.26 -5.02 119.66 117.73 3jwd s GLN 1020Ca -0.05 -0.16 -0.12 0.00 -0.00 0.00 0.00 55.36 55.03 3jwd s GLN 1020Cb 0.00 -2.78 0.14 0.00 0.00 0.00 0.00 33.01 30.38 3jwd s GLN 1020CO 0.15 0.36 1.75 1.63 0.00 0.00 0.00 175.29 179.17 3jwd n LYS 1021N -0.55 3.39 -3.91 9.60 5.02 -1.26 -4.51 118.16 125.95 3jwd n LYS 1021Ca -0.03 -3.51 -0.09 0.00 -2.02 0.00 0.00 58.31 52.66 3jwd n LYS 1021Cb 0.53 -3.08 -0.05 0.00 -0.02 0.00 0.00 35.03 32.42 3jwd n LYS 1021CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3jwd s LYS 1022N 1.57 1.42 -0.26 1.97 -2.85 -1.24 -4.52 119.74 115.83 3jwd s LYS 1022Ca 0.43 -1.11 -0.29 0.00 -1.00 0.00 0.00 55.97 54.00 3jwd s LYS 1022Cb 0.05 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 3jwd s LYS 1022CO 0.00 -0.58 1.17 0.45 0.10 0.00 0.00 175.35 176.49 3jwd s SER 1023N -2.96 6.91 0.00 0.03 0.15 -1.19 -3.64 113.70 113.00 3jwd s SER 1023Ca 0.17 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.14 3jwd s SER 1023Cb -0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3jwd s SER 1023CO 0.03 -0.85 0.00 2.30 1.20 0.00 0.00 173.24 175.92 3jwd n ILE 1024N 5.71 0.00 -2.91 6.45 -5.35 -1.26 -5.05 119.36 116.95 3jwd n ILE 1024Ca 0.13 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.25 3jwd n ILE 1024Cb 0.46 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.30 3jwd n ILE 1024CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3jwd s GLN 1025N -1.52 4.42 0.17 6.28 -1.52 -1.26 -4.89 119.66 121.34 3jwd s GLN 1025Ca 0.00 1.12 -0.22 0.00 -1.95 0.00 0.00 55.36 54.32 3jwd s GLN 1025Cb 0.00 -2.77 0.06 0.00 -0.22 0.00 0.00 33.01 30.07 3jwd s GLN 1025CO 0.00 0.30 0.59 -0.59 -0.25 0.00 0.00 175.29 175.33 3jwd s PHE 1026N -1.63 -0.44 -0.28 0.91 -0.12 -1.26 -4.24 117.98 110.92 3jwd s PHE 1026Ca 0.48 0.18 -0.23 0.00 -0.05 0.00 0.00 56.93 57.32 3jwd s PHE 1026Cb -0.17 0.53 0.09 0.00 -0.63 0.00 0.00 43.02 42.85 3jwd s PHE 1026CO 0.22 -0.88 0.82 -1.58 -0.05 0.00 0.00 175.22 173.75 3jwd s HIS 1027N -3.78 -0.73 -0.26 3.49 2.46 -0.97 -2.97 115.29 112.53 3jwd s HIS 1027Ca 0.03 1.69 -0.10 0.00 0.47 0.00 0.00 55.06 57.16 3jwd s HIS 1027Cb -0.01 0.35 -0.04 0.00 -0.13 0.00 0.00 32.58 32.75 3jwd s HIS 1027CO -0.10 -0.35 0.14 -1.58 -2.47 0.00 0.00 174.74 170.38 3jwd s TRP 1028N 0.57 3.17 0.43 3.88 0.52 0.07 -1.60 118.94 125.98 3jwd s TRP 1028Ca -0.01 -0.08 0.06 0.00 0.02 0.00 0.00 56.10 56.09 3jwd s TRP 1028Cb -0.05 -2.32 -0.07 0.00 -1.15 0.00 0.00 33.47 29.89 3jwd s TRP 1028CO -0.05 -0.22 0.02 0.15 0.02 0.00 0.00 176.95 176.88 3jwd s LYS 1029N 1.64 2.02 0.00 4.98 1.02 -0.47 -1.45 119.74 127.48 3jwd s LYS 1029Ca 0.07 -2.14 0.00 0.00 0.02 0.00 0.00 55.97 53.92 3jwd s LYS 1029Cb -0.15 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 3jwd s LYS 1029CO 0.08 -0.11 0.00 0.27 -0.92 0.00 0.00 175.35 174.67 3jwd n ASN 1030N -1.04 1.00 0.21 2.83 0.23 -1.13 -0.83 115.26 116.53 3jwd n ASN 1030Ca -0.07 -0.50 0.04 0.00 -0.53 0.00 0.00 54.58 53.52 3jwd n ASN 1030Cb 0.67 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.81 3jwd n ASN 1030CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3jwd h SER 1031N 0.00 0.00 -0.42 0.53 4.64 -1.53 -2.33 113.55 114.43 3jwd h SER 1031Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jwd h SER 1031Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jwd h SER 1031CO 0.00 0.27 0.00 0.59 -0.87 0.00 0.00 176.83 176.82 3jwd n ASN 1032N -4.15 4.21 -3.13 4.97 3.02 -1.26 -4.90 115.26 114.01 3jwd n ASN 1032Ca -0.02 -2.59 -0.23 0.00 -0.03 0.00 0.00 54.58 51.72 3jwd n ASN 1032Cb 0.33 -0.60 0.02 0.00 -0.61 0.00 0.00 39.78 38.92 3jwd n ASN 1032CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwd n GLN 1033N 0.52 -4.36 -3.48 3.52 1.13 -0.88 -4.96 117.38 108.87 3jwd n GLN 1033Ca 0.20 0.76 -0.37 0.00 -1.94 0.00 0.00 57.00 55.64 3jwd n GLN 1033Cb 0.87 -5.56 -0.06 0.00 0.11 0.00 0.00 30.24 25.59 3jwd n GLN 1033CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3jwd s ILE 1034N -3.09 5.22 0.08 5.09 1.01 -1.26 -4.85 121.20 123.39 3jwd s ILE 1034Ca 0.33 0.72 -0.31 0.00 0.00 0.00 0.00 60.65 61.39 3jwd s ILE 1034Cb -0.16 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.55 3jwd s ILE 1034CO 0.41 0.42 1.35 -0.54 0.00 0.00 0.00 174.94 176.59 3jwd s LYS 1035N 0.09 4.34 -0.01 2.79 1.02 -1.26 -2.83 119.74 123.87 3jwd s LYS 1035Ca 0.21 1.99 -0.03 0.00 0.02 0.00 0.00 55.97 58.15 3jwd s LYS 1035Cb -0.14 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 3jwd s LYS 1035CO 0.08 -0.43 -0.07 -0.89 -0.92 0.00 0.00 175.35 173.12 3jwd n ILE 1036N 4.10 0.61 -3.67 2.17 5.41 -0.53 -3.45 119.36 124.01 3jwd n ILE 1036Ca 0.11 0.25 -0.08 0.00 1.00 0.00 0.00 62.75 64.04 3jwd n ILE 1036Cb 0.43 -1.53 -0.09 0.00 -0.71 0.00 0.00 39.64 37.75 3jwd n ILE 1036CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3jwd s LEU 1037N -6.08 -0.60 0.00 1.39 0.20 -1.20 0.31 118.68 112.71 3jwd s LEU 1037Ca -0.06 1.17 0.00 0.00 0.69 0.00 0.00 54.13 55.93 3jwd s LEU 1037Cb 0.01 1.74 0.00 0.00 -0.43 0.00 0.00 46.19 47.51 3jwd s LEU 1037CO 0.08 -0.22 0.00 0.61 -0.29 0.00 0.00 176.35 176.53 3jwd n GLY 1038N 4.75 3.69 3.34 7.98 0.00 -0.96 -0.75 105.19 123.25 3jwd n GLY 1038Ca -0.17 -1.28 -0.18 0.00 0.00 0.00 0.00 46.02 44.38 3jwd n GLY 1038CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwd s ASN 1039N 0.08 2.48 -0.55 1.61 4.22 -1.16 -1.27 114.94 120.35 3jwd s ASN 1039Ca 0.00 -1.03 0.07 0.00 -2.14 0.00 0.00 52.86 49.75 3jwd s ASN 1039Cb 0.00 -0.12 0.26 0.00 1.28 0.00 0.00 41.25 42.67 3jwd s ASN 1039CO 0.00 -0.21 0.70 0.00 -2.04 0.00 0.00 177.10 175.55 3jwd n GLN 1040N -0.37 2.00 0.00 3.55 1.13 -0.93 -4.71 117.38 118.05 3jwd n GLN 1040Ca -0.08 -4.23 0.00 0.00 -1.94 0.00 0.00 57.00 50.75 3jwd n GLN 1040Cb 0.61 -1.93 0.00 0.00 0.11 0.00 0.00 30.24 29.02 3jwd n GLN 1040CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jwd n GLY 1041N 0.92 1.32 0.00 1.08 0.00 -1.26 -3.58 105.19 103.67 3jwd n GLY 1041Ca 0.27 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3jwd n GLY 1041CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jwd n SER 1042N 4.30 1.45 -4.84 1.61 3.41 -1.26 -4.93 113.62 113.37 3jwd n SER 1042Ca 0.00 -1.59 -0.22 0.00 -0.26 0.00 0.00 58.87 56.81 3jwd n SER 1042Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3jwd n SER 1042CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3jwd s PHE 1043N -0.59 2.69 0.05 7.33 2.99 -1.23 -5.14 117.98 124.08 3jwd s PHE 1043Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 56.93 56.49 3jwd s PHE 1043Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 43.02 40.89 3jwd s PHE 1043CO 0.00 -0.03 -0.15 -1.17 -0.00 0.00 0.00 175.22 173.87 3jwd s LEU 1044N -4.06 2.76 0.07 -0.37 2.96 -1.26 -2.19 118.68 116.59 3jwd s LEU 1044Ca 0.46 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 3jwd s LEU 1044Cb -0.01 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3jwd s LEU 1044CO 0.26 0.25 -0.13 0.42 -1.32 0.00 0.00 176.35 175.83 3jwd s THR 1045N -0.98 1.02 -0.06 3.68 -4.23 -0.40 -4.87 115.64 109.79 3jwd s THR 1045Ca 0.16 -1.33 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 3jwd s THR 1045Cb -0.11 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.69 3jwd s THR 1045CO 0.07 -0.29 -0.11 -0.54 -0.54 0.00 0.00 174.62 173.20 3jwd s LYS 1046N -1.88 1.57 0.96 3.99 1.02 -1.26 -2.26 119.74 121.88 3jwd s LYS 1046Ca -0.02 -0.37 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 3jwd s LYS 1046Cb -0.09 -1.32 0.22 0.00 -0.52 0.00 0.00 37.83 36.12 3jwd s LYS 1046CO 0.02 0.01 1.19 0.41 -0.92 0.00 0.00 175.35 176.06 3jwd n GLY 1047N 3.84 -1.75 0.00 -3.33 0.00 0.15 -4.94 105.19 99.16 3jwd n GLY 1047Ca -0.23 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.19 3jwd n GLY 1047CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3jwd n PRO 1048N -3.82 0.80 -0.59 1.61 -0.02 -1.22 -4.71 135.00 127.04 3jwd n PRO 1048Ca 0.15 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.34 3jwd n PRO 1048Cb 0.54 -1.24 0.23 0.00 -0.02 0.00 0.00 33.50 33.01 3jwd n PRO 1048CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jwd s SER 1049N -1.58 1.43 0.00 2.55 1.04 -1.24 -4.90 113.70 110.99 3jwd s SER 1049Ca 0.19 1.68 0.28 0.00 0.48 0.00 0.00 55.95 58.57 3jwd s SER 1049Cb 0.08 -2.37 1.30 0.00 0.10 0.00 0.00 66.02 65.13 3jwd s SER 1049CO 0.14 -3.95 1.92 0.29 0.98 0.00 0.00 173.24 172.63 3jwd n LYS 1050N -4.76 0.20 -0.05 4.02 5.02 -1.26 -2.71 118.16 118.61 3jwd n LYS 1050Ca 0.05 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 3jwd n LYS 1050Cb 0.54 -1.50 0.40 0.00 -0.02 0.00 0.00 35.03 34.45 3jwd n LYS 1050CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3jwd n LEU 1051N -1.39 1.83 -0.33 -0.35 4.32 -1.26 -4.54 117.00 115.29 3jwd n LEU 1051Ca 0.10 -0.70 0.21 0.00 -0.02 0.00 0.00 56.01 55.60 3jwd n LEU 1051Cb 0.27 -0.07 0.42 0.00 -1.62 0.00 0.00 43.42 42.42 3jwd n LEU 1051CO 0.23 0.35 0.96 -1.13 -1.22 0.00 0.00 177.39 176.58 3jwd h ASN 1052N 2.60 0.01 1.21 -1.43 -0.73 -1.80 0.21 115.58 115.66 3jwd h ASN 1052Ca 0.00 0.25 0.00 0.00 1.87 0.00 0.00 56.30 58.42 3jwd h ASN 1052Cb 0.56 0.33 0.00 0.00 0.27 0.00 0.00 38.32 39.48 3jwd h ASN 1052CO 0.00 -0.32 -0.63 -2.24 -0.37 0.00 0.00 177.43 173.88 3jwd h ASP 1053N 0.08 0.00 -0.15 1.15 3.04 -1.88 -3.35 116.42 115.31 3jwd h ASP 1053Ca 0.69 -0.06 -0.00 0.00 -3.24 0.00 0.00 57.03 54.43 3jwd h ASP 1053Cb 1.62 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.90 3jwd h ASP 1053CO -0.78 0.03 -0.00 0.54 -2.04 0.00 0.00 179.24 176.99 3jwd n ARG 1054N -2.60 2.21 -5.13 4.15 1.74 0.64 -4.99 116.66 112.68 3jwd n ARG 1054Ca 0.02 -2.74 -0.29 0.00 -0.77 0.00 0.00 57.85 54.07 3jwd n ARG 1054Cb 0.51 -1.70 -0.16 0.00 -1.02 0.00 0.00 32.46 30.09 3jwd n ARG 1054CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwd s ALA 1055N -2.86 1.91 0.00 7.54 0.00 -0.53 -1.79 121.76 126.04 3jwd s ALA 1055Ca 0.38 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3jwd s ALA 1055Cb 0.32 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3jwd s ALA 1055CO 0.06 0.43 0.00 -3.47 0.00 0.00 0.00 175.76 172.79 3jwd n ASP 1056N 2.68 0.00 -3.59 0.00 4.64 -0.68 -4.97 116.55 114.62 3jwd n ASP 1056Ca -0.16 -0.34 -0.10 0.00 -1.38 0.00 0.00 54.79 52.80 3jwd n ASP 1056Cb 0.52 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.54 3jwd n ASP 1056CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3jwd s SER 1057N 0.62 -0.38 -0.69 1.67 0.15 -1.26 -2.45 113.70 111.36 3jwd s SER 1057Ca 0.00 0.52 -0.27 0.00 0.70 0.00 0.00 55.95 56.90 3jwd s SER 1057Cb 0.00 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.78 3jwd s SER 1057CO 0.00 -0.29 1.31 -0.13 1.20 0.00 0.00 173.24 175.33 3jwd s ARG 1058N -0.74 3.22 0.38 5.44 0.52 -1.26 -4.84 118.95 121.67 3jwd s ARG 1058Ca -0.00 -0.06 0.27 0.00 -0.52 0.00 0.00 55.73 55.42 3jwd s ARG 1058Cb -0.02 -4.16 0.90 0.00 0.52 0.00 0.00 34.95 32.19 3jwd s ARG 1058CO -0.01 -2.09 1.78 0.07 0.02 0.00 0.00 175.30 175.07 3jwd h ARG 1059N 10.32 0.00 0.00 3.54 0.11 -1.97 -2.59 114.38 123.79 3jwd h ARG 1059Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 3jwd h ARG 1059Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 3jwd h ARG 1059CO 1.25 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 180.19 3jwd n SER 1060N -2.70 0.51 -0.64 0.08 3.41 -1.26 -1.92 113.62 111.10 3jwd n SER 1060Ca 0.03 0.64 0.08 0.00 -0.26 0.00 0.00 58.87 59.36 3jwd n SER 1060Cb 0.37 -0.74 0.06 0.00 -0.26 0.00 0.00 64.21 63.64 3jwd n SER 1060CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jwd n LEU 1061N -2.08 2.32 0.13 1.04 4.32 -0.98 -4.47 117.00 117.28 3jwd n LEU 1061Ca 0.02 -0.98 0.00 0.00 -0.02 0.00 0.00 56.01 55.03 3jwd n LEU 1061Cb 0.19 0.00 0.29 0.00 -1.62 0.00 0.00 43.42 42.28 3jwd n LEU 1061CO 0.17 0.41 0.70 -0.50 -1.22 0.00 0.00 177.39 176.95 3jwd h TRP 1062N 3.14 0.17 0.00 -1.77 6.55 -1.40 -1.79 115.95 120.86 3jwd h TRP 1062Ca 0.00 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.80 3jwd h TRP 1062Cb 0.68 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.94 3jwd h TRP 1062CO 0.00 0.50 0.00 -0.25 -1.05 0.00 0.00 178.44 177.64 3jwd n ASP 1063N -4.08 0.00 -0.31 -3.49 8.00 -1.26 -2.09 116.55 113.32 3jwd n ASP 1063Ca -0.01 -1.61 0.03 0.00 0.71 0.00 0.00 54.79 53.91 3jwd n ASP 1063Cb 0.43 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.58 3jwd n ASP 1063CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jwd n GLN 1064N -0.70 1.10 -0.30 -1.24 3.00 -0.88 -3.65 117.38 114.71 3jwd n GLN 1064Ca 0.09 -1.26 0.00 0.00 -0.01 0.00 0.00 57.00 55.82 3jwd n GLN 1064Cb 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.14 3jwd n GLN 1064CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3jwd n GLY 1065N 0.27 1.99 3.54 1.08 0.00 -0.89 -4.51 105.19 106.66 3jwd n GLY 1065Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3jwd n GLY 1065CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jwd s ASN 1066N -3.46 6.37 -0.76 1.61 0.01 -0.73 -2.90 114.94 115.08 3jwd s ASN 1066Ca 0.00 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 51.97 3jwd s ASN 1066Cb 0.00 -2.48 0.23 0.00 0.41 0.00 0.00 41.25 39.41 3jwd s ASN 1066CO 0.00 -1.35 0.79 0.49 -1.51 0.00 0.00 177.10 175.52 3jwd n PHE 1067N 7.90 3.51 -2.51 2.20 3.01 0.11 -3.39 117.46 128.29 3jwd n PHE 1067Ca 0.04 -4.00 -0.35 0.00 1.01 0.00 0.00 57.45 54.15 3jwd n PHE 1067Cb 0.48 -0.77 -0.03 0.00 -0.01 0.00 0.00 39.48 39.15 3jwd n PHE 1067CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3jwd s PRO 1068N -2.10 3.89 -0.39 -1.08 0.02 -1.26 -4.18 135.00 129.90 3jwd s PRO 1068Ca 0.33 1.46 -0.12 0.00 0.02 0.00 0.00 61.00 62.69 3jwd s PRO 1068Cb 0.05 -2.26 0.03 0.00 0.02 0.00 0.00 34.50 32.34 3jwd s PRO 1068CO -0.05 -0.37 0.24 -1.17 -0.33 0.00 0.00 177.00 175.32 3jwd s LEU 1069N -3.18 4.88 -0.26 -5.54 2.96 0.93 -4.45 118.68 114.01 3jwd s LEU 1069Ca 0.64 -1.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.42 3jwd s LEU 1069Cb -0.20 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 3jwd s LEU 1069CO 0.24 -0.42 0.25 -0.63 -1.32 0.00 0.00 176.35 174.47 3jwd s ILE 1070N 1.58 5.28 -0.27 6.68 1.01 -1.02 -1.01 121.20 133.45 3jwd s ILE 1070Ca 0.03 0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 3jwd s ILE 1070Cb -0.19 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 38.73 3jwd s ILE 1070CO 0.07 0.25 -0.03 -0.63 0.00 0.00 0.00 174.94 174.60 3jwd s ILE 1071N 1.61 2.92 0.32 2.92 1.01 -0.55 -1.69 121.20 127.75 3jwd s ILE 1071Ca 0.10 -1.19 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 3jwd s ILE 1071Cb -0.15 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 3jwd s ILE 1071CO 0.09 0.06 0.58 -1.59 0.00 0.00 0.00 174.94 174.07 3jwd s LYS 1072N 1.29 3.59 -0.40 2.79 -2.85 -0.74 -2.29 119.74 121.13 3jwd s LYS 1072Ca -0.02 -0.06 -0.24 0.00 -1.00 0.00 0.00 55.97 54.64 3jwd s LYS 1072Cb -0.18 -2.62 0.03 0.00 -2.06 0.00 0.00 37.83 33.00 3jwd s LYS 1072CO -0.03 0.15 0.54 -1.71 0.10 0.00 0.00 175.35 174.40 3jwd n ASN 1073N -1.29 -6.74 -4.76 0.03 5.15 0.11 -4.86 115.26 102.89 3jwd n ASN 1073Ca -0.02 0.28 -0.38 0.00 -0.60 0.00 0.00 54.58 53.86 3jwd n ASN 1073Cb 0.55 -3.39 0.01 0.00 -0.53 0.00 0.00 39.78 36.41 3jwd n ASN 1073CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3jwd s LEU 1074N -2.34 3.97 0.38 1.20 2.01 -1.13 -4.67 118.68 118.11 3jwd s LEU 1074Ca 0.27 2.50 0.04 0.00 0.01 0.00 0.00 54.13 56.95 3jwd s LEU 1074Cb -0.05 -4.22 -0.03 0.00 0.01 0.00 0.00 46.19 41.90 3jwd s LEU 1074CO 0.76 -1.15 0.11 -0.54 1.01 0.00 0.00 176.35 176.54 3jwd s LYS 1075N -2.73 1.83 0.17 1.70 1.02 -1.26 -1.12 119.74 119.35 3jwd s LYS 1075Ca 0.66 -2.09 -0.04 0.00 0.02 0.00 0.00 55.97 54.52 3jwd s LYS 1075Cb -0.34 -0.65 0.04 0.00 -0.52 0.00 0.00 37.83 36.37 3jwd s LYS 1075CO 0.41 -0.40 1.44 0.82 -0.92 0.00 0.00 175.35 176.70 3jwd h ILE 1076N 1.91 1.33 0.00 2.17 1.08 -1.96 -3.10 117.51 118.95 3jwd h ILE 1076Ca -0.37 -1.95 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 3jwd h ILE 1076Cb 1.26 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 3jwd h ILE 1076CO 0.60 0.60 0.00 -0.62 -0.69 0.00 0.00 178.15 178.04 3jwd n GLU 1077N -3.91 0.13 0.00 2.37 4.71 -1.26 -2.18 120.64 120.50 3jwd n GLU 1077Ca -0.04 0.37 0.13 0.00 -0.01 0.00 0.00 57.16 57.61 3jwd n GLU 1077Cb 0.67 -1.76 0.76 0.00 -1.01 0.00 0.00 31.44 30.10 3jwd n GLU 1077CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3jwd n ASP 1078N -2.01 0.00 -4.56 1.62 8.00 -1.17 -4.59 116.55 113.84 3jwd n ASP 1078Ca 0.02 -0.64 -0.40 0.00 0.71 0.00 0.00 54.79 54.48 3jwd n ASP 1078Cb 0.21 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3jwd n ASP 1078CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3jwd s SER 1079N -2.15 6.44 0.22 -2.24 0.01 -0.93 -4.86 113.70 110.20 3jwd s SER 1079Ca 0.36 -1.39 -0.09 0.00 1.31 0.00 0.00 55.95 56.14 3jwd s SER 1079Cb 0.18 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 3jwd s SER 1079CO 0.33 -1.57 0.35 -0.62 0.41 0.00 0.00 173.24 172.15 3jwd s ASP 1080N 5.05 -0.01 -0.24 2.44 2.15 -1.17 -4.96 116.67 119.94 3jwd s ASP 1080Ca 0.47 -1.06 -0.20 0.00 0.43 0.00 0.00 52.55 52.19 3jwd s ASP 1080Cb -0.00 0.51 -0.02 0.00 -0.30 0.00 0.00 42.92 43.10 3jwd s ASP 1080CO -0.09 -1.02 0.62 -0.89 -0.17 0.00 0.00 175.17 173.62 3jwd s THR 1081N -4.05 5.00 0.01 1.71 2.01 -1.26 -2.45 115.64 116.60 3jwd s THR 1081Ca 0.27 1.13 0.02 0.00 0.31 0.00 0.00 61.69 63.41 3jwd s THR 1081Cb 0.02 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 3jwd s THR 1081CO 0.09 0.06 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.76 3jwd s TYR 1082N 2.31 3.04 -0.04 4.92 1.51 -0.15 -1.22 117.35 127.72 3jwd s TYR 1082Ca 0.26 0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.41 3jwd s TYR 1082Cb -0.16 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 3jwd s TYR 1082CO 0.09 0.45 -0.11 0.42 -1.11 0.00 0.00 175.55 175.30 3jwd s ILE 1083N -1.09 0.95 -0.39 2.71 1.01 -0.01 -0.66 121.20 123.73 3jwd s ILE 1083Ca 0.20 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3jwd s ILE 1083Cb -0.11 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.53 3jwd s ILE 1083CO 0.10 0.30 0.23 0.00 0.00 0.00 0.00 174.94 175.57 3jwd s GLU 1085N 1.55 3.89 -0.20 0.00 2.02 -0.63 -2.19 118.70 123.16 3jwd s GLU 1085Ca 0.02 0.10 -0.15 0.00 0.02 0.00 0.00 54.97 54.97 3jwd s GLU 1085Cb -0.20 -3.71 0.06 0.00 0.10 0.00 0.00 34.13 30.38 3jwd s GLU 1085CO 0.07 -0.45 0.50 0.54 0.02 0.00 0.00 175.26 175.94 3jwd s VAL 1086N 2.31 -0.01 -1.36 2.63 0.11 -1.10 -2.30 120.40 120.69 3jwd s VAL 1086Ca 0.19 0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 59.20 3jwd s VAL 1086Cb -0.16 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 3jwd s VAL 1086CO 0.11 0.01 0.14 -1.84 -3.33 0.00 0.00 175.10 170.19 3jwd n GLU 1087N 3.53 -0.79 -3.13 1.54 0.28 -1.26 -1.76 120.64 119.04 3jwd n GLU 1087Ca -0.18 0.06 -0.14 0.00 -0.16 0.00 0.00 57.16 56.75 3jwd n GLU 1087Cb 0.56 -3.04 0.07 0.00 1.43 0.00 0.00 31.44 30.47 3jwd n GLU 1087CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3jwd n ASP 1088N -2.46 -2.99 -3.77 -1.84 2.03 -1.26 -5.04 116.55 101.22 3jwd n ASP 1088Ca -0.26 -0.53 -0.10 0.00 0.52 0.00 0.00 54.79 54.42 3jwd n ASP 1088Cb 0.61 -4.37 -0.04 0.00 -0.72 0.00 0.00 41.12 36.60 3jwd n ASP 1088CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3jwd s GLN 1089N -4.89 1.31 -0.23 -0.67 -2.07 -0.72 -5.15 119.66 107.23 3jwd s GLN 1089Ca 0.09 -0.91 -0.04 0.00 -1.82 0.00 0.00 55.36 52.68 3jwd s GLN 1089Cb -0.01 0.49 0.08 0.00 -1.09 0.00 0.00 33.01 32.47 3jwd s GLN 1089CO 0.61 -0.54 0.10 0.15 -1.32 0.00 0.00 175.29 174.29 3jwd s LYS 1090N -3.89 0.24 -0.54 9.60 3.01 -1.26 -2.72 119.74 124.19 3jwd s LYS 1090Ca 0.10 -0.39 -0.22 0.00 -1.01 0.00 0.00 55.97 54.45 3jwd s LYS 1090Cb 0.00 -1.61 0.05 0.00 -1.01 0.00 0.00 37.83 35.26 3jwd s LYS 1090CO -0.03 -0.84 0.82 -1.21 0.51 0.00 0.00 175.35 174.60 3jwd s GLU 1091N 2.04 3.24 -0.17 1.68 2.02 -0.93 -4.89 118.70 121.70 3jwd s GLU 1091Ca 0.05 -0.53 -0.13 0.00 0.02 0.00 0.00 54.97 54.39 3jwd s GLU 1091Cb -0.16 -4.08 -0.05 0.00 0.10 0.00 0.00 34.13 29.94 3jwd s GLU 1091CO -0.22 -1.39 0.24 -2.00 0.02 0.00 0.00 175.26 171.91 3jwd s GLU 1092N 3.43 4.22 -0.03 1.61 2.12 -1.26 -1.67 118.70 127.12 3jwd s GLU 1092Ca 0.24 -0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.57 3jwd s GLU 1092Cb -0.15 -3.42 0.03 0.00 0.26 0.00 0.00 34.13 30.85 3jwd s GLU 1092CO 0.16 0.27 0.01 0.54 -0.54 0.00 0.00 175.26 175.69 3jwd s VAL 1093N 0.40 0.16 -0.12 3.70 0.11 0.16 -3.89 120.40 120.91 3jwd s VAL 1093Ca 0.14 0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 59.11 3jwd s VAL 1093Cb -0.12 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 3jwd s VAL 1093CO 0.02 0.15 0.55 -1.58 -3.33 0.00 0.00 175.10 170.91 3jwd s GLN 1094N 1.17 4.33 0.00 1.54 2.00 -0.61 -0.98 119.66 127.11 3jwd s GLN 1094Ca -0.08 0.56 0.08 0.00 -2.00 0.00 0.00 55.36 53.92 3jwd s GLN 1094Cb -0.13 -3.47 -0.02 0.00 0.80 0.00 0.00 33.01 30.19 3jwd s GLN 1094CO -0.02 0.06 -0.26 -1.17 -0.50 0.00 0.00 175.29 173.40 3jwd s LEU 1095N 0.91 2.09 -0.02 3.68 2.96 -1.03 -1.22 118.68 126.05 3jwd s LEU 1095Ca 0.29 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 3jwd s LEU 1095Cb -0.16 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 3jwd s LEU 1095CO 0.12 0.30 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.53 3jwd s LEU 1096N -0.81 2.01 -0.29 -0.68 2.01 -1.11 -3.05 118.68 116.77 3jwd s LEU 1096Ca 0.11 -0.30 0.03 0.00 0.01 0.00 0.00 54.13 53.98 3jwd s LEU 1096Cb -0.10 -0.84 0.08 0.00 0.01 0.00 0.00 46.19 45.34 3jwd s LEU 1096CO -0.00 0.19 -0.03 -0.69 1.01 0.00 0.00 176.35 176.83 3jwd s VAL 1097N -0.32 2.09 0.12 -1.59 1.01 -1.26 -0.83 120.40 119.61 3jwd s VAL 1097Ca 0.05 -1.86 -0.00 0.00 0.00 0.00 0.00 61.98 60.17 3jwd s VAL 1097Cb -0.07 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3jwd s VAL 1097CO -0.00 -0.28 0.29 -0.36 0.00 0.00 0.00 175.10 174.74 3jwd s PHE 1098N 1.08 3.50 0.04 5.22 0.40 -0.99 -4.52 117.98 122.70 3jwd s PHE 1098Ca -0.00 0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.64 3jwd s PHE 1098Cb -0.19 -1.80 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 3jwd s PHE 1098CO -0.07 0.51 -0.07 0.20 0.70 0.00 0.00 175.22 176.49 3jwd s GLY 1099N -2.76 0.44 -0.04 4.36 0.00 -1.14 -0.97 107.32 107.20 3jwd s GLY 1099Ca 0.37 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.37 3jwd s GLY 1099CO 0.28 -0.77 0.02 -2.27 0.00 0.00 0.00 173.10 170.36 3jwd s LEU 1100N -1.52 0.74 0.12 0.66 0.20 -1.26 -0.41 118.68 117.20 3jwd s LEU 1100Ca -0.11 -0.01 0.04 0.00 0.69 0.00 0.00 54.13 54.73 3jwd s LEU 1100Cb -0.10 -0.26 -0.04 0.00 -0.43 0.00 0.00 46.19 45.36 3jwd s LEU 1100CO 0.00 -0.16 0.12 0.42 -0.29 0.00 0.00 176.35 176.44 3jwd s THR 1101N 1.58 4.61 -0.19 3.68 -4.23 -0.94 -4.96 115.64 115.20 3jwd s THR 1101Ca -0.02 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 3jwd s THR 1101Cb -0.13 -3.29 0.04 0.00 1.34 0.00 0.00 72.50 70.47 3jwd s THR 1101CO -0.03 0.02 -0.10 0.00 -0.54 0.00 0.00 174.62 173.97 3jwd s ALA 1102N -1.56 1.92 -0.09 3.99 0.00 -1.26 -1.72 121.76 123.04 3jwd s ALA 1102Ca 0.31 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 3jwd s ALA 1102Cb -0.11 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3jwd s ALA 1102CO 0.23 -0.75 -0.03 -0.80 0.00 0.00 0.00 175.76 174.41 3jwd s ASN 1103N 1.44 4.91 -0.29 0.00 0.01 -1.16 -4.99 114.94 114.86 3jwd s ASN 1103Ca -0.00 0.02 -0.03 0.00 -0.71 0.00 0.00 52.86 52.14 3jwd s ASN 1103Cb -0.16 -1.42 0.11 0.00 0.41 0.00 0.00 41.25 40.20 3jwd s ASN 1103CO -0.08 0.33 0.19 -0.55 -1.51 0.00 0.00 177.10 175.47 3jwd s SER 1104N -0.59 2.81 -0.35 -1.22 0.15 -1.26 -0.63 113.70 112.61 3jwd s SER 1104Ca 0.09 -1.07 -0.12 0.00 0.70 0.00 0.00 55.95 55.55 3jwd s SER 1104Cb -0.12 -0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.16 3jwd s SER 1104CO 0.02 -0.42 0.22 -1.81 1.20 0.00 0.00 173.24 172.45 3jwd s ASP 1105N 2.20 5.87 -0.29 5.45 1.01 -1.25 -4.82 116.67 124.83 3jwd s ASP 1105Ca 0.09 -0.61 -0.01 0.00 0.71 0.00 0.00 52.55 52.73 3jwd s ASP 1105Cb -0.15 -2.08 0.05 0.00 1.01 0.00 0.00 42.92 41.74 3jwd s ASP 1105CO -0.35 -0.28 -0.02 0.28 0.21 0.00 0.00 175.17 175.01 3jwd s THR 1106N 1.66 2.84 0.18 -1.27 -1.32 -1.26 -1.28 115.64 115.19 3jwd s THR 1106Ca 0.05 -1.41 0.10 0.00 -1.21 0.00 0.00 61.69 59.22 3jwd s THR 1106Cb -0.18 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.14 3jwd s THR 1106CO 0.09 -0.08 -0.21 -1.38 -2.21 0.00 0.00 174.62 170.83 3jwd s HIS 1107N 1.23 2.05 0.75 9.09 -3.43 -0.67 -4.91 115.29 119.40 3jwd s HIS 1107Ca -0.06 -0.41 -0.15 0.00 -0.80 0.00 0.00 55.06 53.64 3jwd s HIS 1107Cb -0.20 -1.01 0.04 0.00 -1.43 0.00 0.00 32.58 29.98 3jwd s HIS 1107CO -0.02 0.43 1.13 1.28 -2.00 0.00 0.00 174.74 175.56 3jwd n LEU 1108N 0.22 4.37 0.00 5.38 4.77 -1.26 -0.80 117.00 129.68 3jwd n LEU 1108Ca -0.12 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3jwd n LEU 1108Cb 0.57 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 3jwd n LEU 1108CO 0.30 -1.70 0.00 0.18 -1.33 0.00 0.00 177.39 174.84 3jwd n LEU 1109N -2.44 0.00 -0.13 2.23 4.32 -1.26 -4.48 117.00 115.24 3jwd n LEU 1109Ca 0.14 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.87 3jwd n LEU 1109Cb 0.50 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.19 3jwd n LEU 1109CO 0.48 0.00 -1.32 1.67 -1.22 0.00 0.00 177.39 177.00 3jwd n GLN 1110N 0.00 0.61 0.00 3.23 -0.06 -1.12 -5.12 117.38 114.92 3jwd n GLN 1110Ca 0.00 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.25 3jwd n GLN 1110Cb 0.00 -1.53 0.00 0.00 -4.06 0.00 0.00 30.24 24.65 3jwd n GLN 1110CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3jwd n GLY 1111N 1.60 -0.39 3.90 1.69 0.00 0.02 -4.99 105.19 107.02 3jwd n GLY 1111Ca -0.49 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.01 3jwd n GLY 1111CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jwd s GLN 1112N 0.00 3.55 0.33 1.61 0.74 -1.26 -1.67 119.66 122.96 3jwd s GLN 1112Ca 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.22 3jwd s GLN 1112Cb 0.00 -2.96 -0.00 0.00 1.10 0.00 0.00 33.01 31.15 3jwd s GLN 1112CO 0.00 0.55 0.01 -1.13 -0.55 0.00 0.00 175.29 174.17 3jwd n SER 1113N 0.39 2.78 -3.50 6.67 3.41 -0.40 -3.17 113.62 119.79 3jwd n SER 1113Ca -0.05 -2.46 -0.00 0.00 -0.26 0.00 0.00 58.87 56.10 3jwd n SER 1113Cb 0.52 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.69 3jwd n SER 1113CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3jwd s LEU 1114N 0.00 -0.68 -0.36 1.04 2.96 -0.86 -3.97 118.68 116.80 3jwd s LEU 1114Ca 0.01 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 3jwd s LEU 1114Cb 0.00 1.82 0.13 0.00 0.50 0.00 0.00 46.19 48.64 3jwd s LEU 1114CO 0.01 -0.14 0.20 -0.89 -1.32 0.00 0.00 176.35 174.20 3jwd s THR 1115N 2.30 0.53 -0.05 3.68 2.01 0.19 -1.37 115.64 122.92 3jwd s THR 1115Ca -0.05 -1.79 -0.30 0.00 0.31 0.00 0.00 61.69 59.87 3jwd s THR 1115Cb -0.07 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 3jwd s THR 1115CO -0.17 -0.90 1.00 -0.76 -0.69 0.00 0.00 174.62 173.10 3jwd s LEU 1116N 1.06 4.31 -0.08 4.42 1.43 -1.06 -2.98 118.68 125.77 3jwd s LEU 1116Ca 0.16 1.61 -0.00 0.00 -1.03 0.00 0.00 54.13 54.86 3jwd s LEU 1116Cb -0.22 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 3jwd s LEU 1116CO -0.06 -0.37 -0.06 -0.89 0.23 0.00 0.00 176.35 175.20 3jwd s THR 1117N 1.55 3.79 -0.17 5.49 2.01 -0.70 -2.05 115.64 125.56 3jwd s THR 1117Ca 0.50 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 62.00 3jwd s THR 1117Cb -0.20 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 3jwd s THR 1117CO 0.23 0.58 0.05 -0.22 -0.69 0.00 0.00 174.62 174.57 3jwd s LEU 1118N -0.64 3.78 -0.83 4.42 2.96 -0.99 -2.21 118.68 125.16 3jwd s LEU 1118Ca 0.10 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3jwd s LEU 1118Cb -0.12 -1.94 0.22 0.00 0.50 0.00 0.00 46.19 44.85 3jwd s LEU 1118CO 0.02 0.21 0.76 1.21 -1.32 0.00 0.00 176.35 177.23 3jwd n GLU 1119N 3.31 2.57 -2.96 1.98 2.13 0.45 -4.98 120.64 123.14 3jwd n GLU 1119Ca -0.17 -4.52 -0.26 0.00 0.66 0.00 0.00 57.16 52.87 3jwd n GLU 1119Cb 0.52 -2.37 -0.01 0.00 0.27 0.00 0.00 31.44 29.86 3jwd n GLU 1119CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3jwd s SER 1120N -0.94 6.31 0.69 4.31 1.04 -1.26 -2.90 113.70 120.95 3jwd s SER 1120Ca 0.29 0.76 -0.13 0.00 0.48 0.00 0.00 55.95 57.36 3jwd s SER 1120Cb -0.02 -2.17 0.01 0.00 0.10 0.00 0.00 66.02 63.94 3jwd s SER 1120CO -0.11 -0.44 1.08 -2.84 0.98 0.00 0.00 173.24 171.92 3jwd s PRO 1121N -4.43 2.79 -0.08 4.02 0.02 -1.26 -4.95 135.00 131.11 3jwd s PRO 1121Ca 0.45 1.16 -0.30 0.00 0.02 0.00 0.00 61.00 62.33 3jwd s PRO 1121Cb -0.10 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 3jwd s PRO 1121CO 0.40 -1.23 2.06 -2.30 -0.33 0.00 0.00 177.00 175.60 3jwd n PRO 1122N -2.86 2.43 -0.46 5.54 -0.02 -1.26 -3.80 135.00 134.57 3jwd n PRO 1122Ca 0.09 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3jwd n PRO 1122Cb 0.53 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 3jwd n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jwd n GLY 1123N 5.02 0.84 3.63 -1.23 0.00 -1.26 -5.13 105.19 107.05 3jwd n GLY 1123Ca 0.24 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 3jwd n GLY 1123CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwd s SER 1124N -2.25 -0.17 -0.41 1.61 1.04 -1.25 -5.13 113.70 107.14 3jwd s SER 1124Ca 0.00 0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.70 3jwd s SER 1124Cb 0.00 0.22 0.12 0.00 0.10 0.00 0.00 66.02 66.46 3jwd s SER 1124CO 0.00 -0.12 0.16 -0.55 0.98 0.00 0.00 173.24 173.72 3jwd s SER 1125N -0.61 4.25 1.17 7.02 0.15 -1.26 -4.92 113.70 119.51 3jwd s SER 1125Ca 0.05 -2.42 -0.19 0.00 0.70 0.00 0.00 55.95 54.09 3jwd s SER 1125Cb -0.02 -1.36 0.28 0.00 -1.71 0.00 0.00 66.02 63.20 3jwd s SER 1125CO -0.07 -0.32 1.14 -2.65 1.20 0.00 0.00 173.24 172.54 3jwd n PRO 1126N 3.87 -2.57 -3.52 5.44 -0.02 -1.26 -4.90 135.00 132.04 3jwd n PRO 1126Ca 0.04 -1.80 -0.16 0.00 -2.02 0.00 0.00 63.50 59.56 3jwd n PRO 1126Cb 0.37 -1.53 -0.12 0.00 -0.02 0.00 0.00 33.50 32.20 3jwd n PRO 1126CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3jwd s SER 1127N -4.80 0.99 -0.16 2.55 0.15 -1.14 -4.92 113.70 106.37 3jwd s SER 1127Ca 0.71 0.03 -0.22 0.00 0.70 0.00 0.00 55.95 57.17 3jwd s SER 1127Cb -0.05 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 3jwd s SER 1127CO 0.53 -0.30 0.65 -0.69 1.20 0.00 0.00 173.24 174.63 3jwd s VAL 1128N 2.37 5.03 -0.54 4.45 1.01 -1.11 -1.71 120.40 129.90 3jwd s VAL 1128Ca 0.06 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.35 3jwd s VAL 1128Cb -0.15 -3.97 0.15 0.00 0.00 0.00 0.00 36.38 32.41 3jwd s VAL 1128CO -0.11 0.15 0.35 -1.58 0.00 0.00 0.00 175.10 173.91 3jwd s GLN 1129N 1.56 1.75 0.01 2.72 2.00 -0.34 -2.65 119.66 124.71 3jwd s GLN 1129Ca 0.31 -2.61 -0.11 0.00 -2.00 0.00 0.00 55.36 50.95 3jwd s GLN 1129Cb -0.16 -2.72 -0.05 0.00 0.80 0.00 0.00 33.01 30.88 3jwd s GLN 1129CO 0.12 -1.24 0.36 0.00 -0.50 0.00 0.00 175.29 174.03 3jwd s ARG 1131N -1.38 2.52 0.60 0.00 3.52 -0.90 -1.46 118.95 121.84 3jwd s ARG 1131Ca 0.26 -0.85 -0.19 0.00 -0.13 0.00 0.00 55.73 54.82 3jwd s ARG 1131Cb -0.15 -2.08 -0.03 0.00 -1.56 0.00 0.00 34.95 31.12 3jwd s ARG 1131CO 0.14 0.31 1.20 0.45 -0.81 0.00 0.00 175.30 176.59 3jwd s SER 1132N -0.01 5.17 0.00 -2.12 0.15 -1.06 -3.42 113.70 112.41 3jwd s SER 1132Ca -0.07 2.38 0.00 0.00 0.70 0.00 0.00 55.95 58.96 3jwd s SER 1132Cb -0.14 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3jwd s SER 1132CO 0.05 -1.60 0.67 -2.65 1.20 0.00 0.00 173.24 170.91 3jwd n PRO 1133N -1.63 0.00 -0.74 5.44 -0.02 -1.26 -1.04 135.00 135.75 3jwd n PRO 1133Ca 0.14 0.19 0.06 0.00 -2.02 0.00 0.00 63.50 61.87 3jwd n PRO 1133Cb 0.50 -1.51 0.17 0.00 -0.02 0.00 0.00 33.50 32.63 3jwd n PRO 1133CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3jwd n ARG 1134N -1.17 1.24 -2.28 -0.52 1.85 -1.26 -4.97 116.66 109.55 3jwd n ARG 1134Ca 0.00 -2.98 -0.04 0.00 -1.00 0.00 0.00 57.85 53.83 3jwd n ARG 1134Cb 0.01 -1.29 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 3jwd n ARG 1134CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3jwd n GLY 1135N -0.81 -1.54 3.09 2.89 0.00 -0.20 -5.07 105.19 103.54 3jwd n GLY 1135Ca 0.16 0.60 -0.03 0.00 0.00 0.00 0.00 46.02 46.75 3jwd n GLY 1135CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jwd s LYS 1136N -1.76 0.79 0.49 1.61 2.20 -1.25 -4.90 119.74 116.92 3jwd s LYS 1136Ca 0.12 -0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 55.05 3jwd s LYS 1136Cb -0.03 -0.10 -0.07 0.00 -1.51 0.00 0.00 37.83 36.12 3jwd s LYS 1136CO 0.45 -1.20 1.34 -0.80 -0.36 0.00 0.00 175.35 174.78 3jwd s ASN 1137N 1.70 5.71 -0.01 1.43 -0.87 -1.26 -2.58 114.94 119.06 3jwd s ASN 1137Ca 0.17 2.71 0.00 0.00 -1.57 0.00 0.00 52.86 54.17 3jwd s ASN 1137Cb -0.06 -2.64 0.01 0.00 -0.02 0.00 0.00 41.25 38.54 3jwd s ASN 1137CO -0.06 -1.27 -0.00 0.27 -2.57 0.00 0.00 177.10 173.47 3jwd s ILE 1138N -1.31 0.09 0.12 0.60 -4.36 -0.54 -4.98 121.20 110.82 3jwd s ILE 1138Ca 0.66 0.03 -0.10 0.00 -0.26 0.00 0.00 60.65 60.98 3jwd s ILE 1138Cb -0.39 -0.14 -0.06 0.00 1.25 0.00 0.00 42.46 43.12 3jwd s ILE 1138CO 0.48 0.07 0.45 -1.58 0.24 0.00 0.00 174.94 174.60 3jwd s GLN 1139N 0.46 3.80 -0.16 0.37 2.00 -1.26 -2.98 119.66 121.90 3jwd s GLN 1139Ca -0.04 0.23 -0.27 0.00 -2.00 0.00 0.00 55.36 53.28 3jwd s GLN 1139Cb -0.07 -2.93 0.07 0.00 0.80 0.00 0.00 33.01 30.89 3jwd s GLN 1139CO -0.01 0.50 0.68 0.20 -0.50 0.00 0.00 175.29 176.16 3jwd s GLY 1140N -1.89 -0.54 0.00 2.59 0.00 -1.09 -4.98 107.32 101.42 3jwd s GLY 1140Ca 0.37 1.62 0.00 0.00 0.00 0.00 0.00 44.72 46.70 3jwd s GLY 1140CO 0.19 1.31 0.00 0.61 0.00 0.00 0.00 173.10 175.21 3jwd n GLY 1141N 1.84 1.77 0.05 0.20 0.00 -1.26 -2.74 105.19 105.06 3jwd n GLY 1141Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3jwd n GLY 1141CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3jwd h LYS 1142N 0.00 0.01 -6.08 1.61 1.63 -1.96 -3.39 116.57 108.40 3jwd h LYS 1142Ca 0.00 -0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 59.25 3jwd h LYS 1142Cb 0.00 -0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 31.42 3jwd h LYS 1142CO 0.00 0.39 -0.81 0.95 -3.45 0.00 0.00 179.45 176.52 3jwd s THR 1143N -4.69 1.71 -0.05 1.00 -4.23 -1.26 -2.35 115.64 105.77 3jwd s THR 1143Ca -0.15 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3jwd s THR 1143Cb 0.03 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 3jwd s THR 1143CO 0.67 -0.12 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.84 3jwd s LEU 1144N -2.06 3.40 -0.14 4.79 1.02 -0.87 -4.85 118.68 119.97 3jwd s LEU 1144Ca 0.08 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.28 3jwd s LEU 1144Cb -0.09 -1.84 0.01 0.00 0.02 0.00 0.00 46.19 44.30 3jwd s LEU 1144CO 0.05 0.34 -0.21 -0.44 0.02 0.00 0.00 176.35 176.11 3jwd s SER 1145N -1.10 3.02 -0.35 2.29 0.01 -1.26 -2.58 113.70 113.73 3jwd s SER 1145Ca 0.15 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 56.86 3jwd s SER 1145Cb -0.11 -1.40 0.10 0.00 0.21 0.00 0.00 66.02 64.82 3jwd s SER 1145CO 0.05 0.06 0.07 -0.69 0.41 0.00 0.00 173.24 173.14 3jwd s VAL 1146N 0.91 2.38 0.08 3.43 1.01 -0.47 -5.01 120.40 122.74 3jwd s VAL 1146Ca -0.05 -2.34 -0.23 0.00 0.00 0.00 0.00 61.98 59.36 3jwd s VAL 1146Cb -0.15 -2.75 -0.15 0.00 0.00 0.00 0.00 36.38 33.33 3jwd s VAL 1146CO -0.03 -0.61 1.71 0.28 0.00 0.00 0.00 175.10 176.44 3jwd h SER 1147N 7.63 0.01 -3.37 3.32 0.02 -1.86 -2.30 113.55 117.01 3jwd h SER 1147Ca -0.05 -0.03 -0.42 0.00 -0.84 0.00 0.00 61.79 60.45 3jwd h SER 1147Cb 1.02 -0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.20 3jwd h SER 1147CO 0.54 0.04 -0.77 -1.10 -1.14 0.00 0.00 176.83 174.40 3jwd s GLN 1148N -6.06 0.76 0.83 3.45 -0.21 -1.25 -4.21 119.66 112.96 3jwd s GLN 1148Ca -0.13 -0.02 -0.10 0.00 0.02 0.00 0.00 55.36 55.13 3jwd s GLN 1148Cb 0.06 -0.91 0.14 0.00 1.00 0.00 0.00 33.01 33.29 3jwd s GLN 1148CO 0.66 -0.18 1.16 -0.51 -2.12 0.00 0.00 175.29 174.30 3jwd s LEU 1149N 1.37 2.77 0.00 2.90 1.02 -1.19 -5.03 118.68 120.52 3jwd s LEU 1149Ca -0.04 0.24 0.01 0.00 0.02 0.00 0.00 54.13 54.35 3jwd s LEU 1149Cb -0.13 -2.55 -0.00 0.00 0.02 0.00 0.00 46.19 43.53 3jwd s LEU 1149CO -0.03 -2.17 0.02 -0.62 0.02 0.00 0.00 176.35 173.58 3jwd n GLU 1150N -3.30 0.88 0.16 1.70 1.02 -1.26 -4.64 120.64 115.19 3jwd n GLU 1150Ca 0.13 -0.51 0.07 0.00 -0.02 0.00 0.00 57.16 56.82 3jwd n GLU 1150Cb 0.60 0.28 0.07 0.00 -0.02 0.00 0.00 31.44 32.37 3jwd n GLU 1150CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3jwd h LEU 1151N 0.00 0.00 0.00 -4.62 5.85 -1.96 -3.26 115.31 111.32 3jwd h LEU 1151Ca -0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3jwd h LEU 1151Cb 0.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3jwd h LEU 1151CO 0.07 0.26 -0.34 1.56 -0.34 0.00 0.00 178.44 179.66 3jwd h GLN 1152N 0.00 0.00 -0.01 1.25 7.50 -2.02 -3.20 115.11 118.63 3jwd h GLN 1152Ca -0.02 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.13 3jwd h GLN 1152Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.75 3jwd h GLN 1152CO 0.03 0.03 0.00 -0.25 -1.50 0.00 0.00 178.83 177.15 3jwd n ASP 1153N -2.98 0.01 -4.31 1.46 8.00 -1.23 -4.58 116.55 112.91 3jwd n ASP 1153Ca 0.02 -1.97 -0.46 0.00 0.71 0.00 0.00 54.79 53.09 3jwd n ASP 1153Cb 0.55 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.61 3jwd n ASP 1153CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3jwd s SER 1154N -1.01 6.33 0.00 -2.24 0.15 -1.21 -4.82 113.70 110.91 3jwd s SER 1154Ca 0.00 -2.06 0.00 0.00 0.70 0.00 0.00 55.95 54.59 3jwd s SER 1154Cb 0.00 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 3jwd s SER 1154CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 3jwd n GLY 1155N 4.86 -1.13 2.73 9.45 0.00 -0.93 -4.92 105.19 115.25 3jwd n GLY 1155Ca -0.06 0.69 -0.20 0.00 0.00 0.00 0.00 46.02 46.45 3jwd n GLY 1155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jwd s THR 1156N 1.46 -0.22 0.25 2.61 2.01 -1.26 -2.81 115.64 117.69 3jwd s THR 1156Ca 0.00 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.07 3jwd s THR 1156Cb 0.00 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 3jwd s THR 1156CO 0.00 -0.06 0.48 0.26 -0.69 0.00 0.00 174.62 174.61 3jwd s TRP 1157N 2.25 3.48 -0.24 4.92 0.52 -0.40 -4.29 118.94 125.18 3jwd s TRP 1157Ca 0.04 0.50 -0.01 0.00 0.02 0.00 0.00 56.10 56.64 3jwd s TRP 1157Cb -0.14 -1.99 0.07 0.00 -1.15 0.00 0.00 33.47 30.27 3jwd s TRP 1157CO -0.08 0.26 0.04 0.95 0.02 0.00 0.00 176.95 178.14 3jwd s THR 1158N -1.99 0.84 -0.27 2.01 -4.23 -1.22 -1.25 115.64 109.52 3jwd s THR 1158Ca 0.41 -0.95 -0.08 0.00 -1.18 0.00 0.00 61.69 59.89 3jwd s THR 1158Cb -0.11 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.33 3jwd s THR 1158CO 0.30 -0.33 0.09 0.00 -0.54 0.00 0.00 174.62 174.14 3jwd s THR 1160N 1.60 3.64 -0.13 0.00 2.01 -1.15 -1.51 115.64 120.10 3jwd s THR 1160Ca 0.05 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 3jwd s THR 1160Cb -0.16 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 3jwd s THR 1160CO 0.04 0.57 0.07 -0.69 -0.69 0.00 0.00 174.62 173.92 3jwd s VAL 1161N -0.42 4.93 -0.24 3.82 1.01 -0.57 -1.20 120.40 127.73 3jwd s VAL 1161Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3jwd s VAL 1161Cb -0.12 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.14 3jwd s VAL 1161CO 0.02 0.56 -0.09 -0.22 0.00 0.00 0.00 175.10 175.37 3jwd s LEU 1162N -0.54 3.14 -0.02 3.92 0.20 -0.69 -1.72 118.68 122.97 3jwd s LEU 1162Ca 0.11 -1.02 0.01 0.00 0.69 0.00 0.00 54.13 53.92 3jwd s LEU 1162Cb -0.12 -1.60 0.01 0.00 -0.43 0.00 0.00 46.19 44.05 3jwd s LEU 1162CO 0.02 -0.13 -0.03 -1.58 -0.29 0.00 0.00 176.35 174.34 3jwd s GLN 1163N 1.25 0.44 -1.42 1.98 2.00 -0.80 -2.90 119.66 120.21 3jwd s GLN 1163Ca -0.02 -0.05 -0.07 0.00 -2.00 0.00 0.00 55.36 53.22 3jwd s GLN 1163Cb -0.17 -0.51 0.04 0.00 0.80 0.00 0.00 33.01 33.17 3jwd s GLN 1163CO -0.06 -0.04 0.58 0.09 -0.50 0.00 0.00 175.29 175.36 3jwd n ASN 1164N 3.69 -4.90 -1.24 6.67 4.13 -1.26 -1.89 115.26 120.45 3jwd n ASN 1164Ca -0.22 -0.36 -0.14 0.00 1.68 0.00 0.00 54.58 55.54 3jwd n ASN 1164Cb 0.53 -3.99 -0.04 0.00 -1.54 0.00 0.00 39.78 34.74 3jwd n ASN 1164CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3jwd n GLN 1165N -3.94 -1.02 -4.61 3.52 6.02 -1.26 -5.00 117.38 111.09 3jwd n GLN 1165Ca -0.06 0.89 -0.28 0.00 -0.01 0.00 0.00 57.00 57.54 3jwd n GLN 1165Cb 0.58 -5.05 -0.08 0.00 1.02 0.00 0.00 30.24 26.71 3jwd n GLN 1165CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3jwd s LYS 1166N -3.67 2.02 0.03 -1.09 2.20 -0.79 -5.15 119.74 113.28 3jwd s LYS 1166Ca 0.00 -2.24 -0.01 0.00 -0.36 0.00 0.00 55.97 53.36 3jwd s LYS 1166Cb 0.00 -1.06 -0.03 0.00 -1.51 0.00 0.00 37.83 35.23 3jwd s LYS 1166CO 0.00 -0.38 -0.03 -1.59 -0.36 0.00 0.00 175.35 172.99 3jwd s LYS 1167N -3.79 0.45 -0.04 4.03 -2.85 -1.26 -1.91 119.74 114.38 3jwd s LYS 1167Ca 0.18 -0.89 0.01 0.00 -1.00 0.00 0.00 55.97 54.27 3jwd s LYS 1167Cb 0.03 0.16 0.02 0.00 -2.06 0.00 0.00 37.83 35.98 3jwd s LYS 1167CO 0.10 -0.08 -0.04 0.54 0.10 0.00 0.00 175.35 175.98 3jwd s VAL 1168N -2.60 0.44 -0.14 1.79 0.11 -0.70 -4.97 120.40 114.34 3jwd s VAL 1168Ca -0.05 -0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 58.85 3jwd s VAL 1168Cb -0.02 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 3jwd s VAL 1168CO -0.05 0.20 0.07 -0.70 -3.33 0.00 0.00 175.10 171.29 3jwd s GLU 1169N 0.82 3.56 0.14 1.54 2.12 -1.26 -1.51 118.70 124.11 3jwd s GLU 1169Ca -0.10 -0.29 0.10 0.00 0.36 0.00 0.00 54.97 55.03 3jwd s GLU 1169Cb -0.13 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 3jwd s GLU 1169CO -0.00 0.54 -0.19 -0.06 -0.54 0.00 0.00 175.26 175.01 3jwd s PHE 1170N -0.38 2.49 -0.08 5.30 0.08 -0.57 -5.01 117.98 119.82 3jwd s PHE 1170Ca 0.09 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.86 3jwd s PHE 1170Cb -0.12 -1.30 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 3jwd s PHE 1170CO 0.02 0.41 -0.06 0.15 -0.10 0.00 0.00 175.22 175.63 3jwd s LYS 1171N -2.29 1.24 -0.08 0.44 1.02 -1.26 -2.29 119.74 116.52 3jwd s LYS 1171Ca 0.19 -0.19 0.03 0.00 0.02 0.00 0.00 55.97 56.02 3jwd s LYS 1171Cb -0.10 -1.27 -0.02 0.00 -0.52 0.00 0.00 37.83 35.93 3jwd s LYS 1171CO 0.10 -0.17 -0.17 0.42 -0.92 0.00 0.00 175.35 174.61 3jwd s ILE 1172N 1.36 2.77 -0.82 2.17 1.01 -0.38 -4.96 121.20 122.35 3jwd s ILE 1172Ca -0.03 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 3jwd s ILE 1172Cb -0.14 -2.09 0.15 0.00 0.01 0.00 0.00 42.46 40.39 3jwd s ILE 1172CO -0.03 0.56 0.92 -0.62 0.00 0.00 0.00 174.94 175.77 3jwd s ASP 1173N -0.19 6.56 -0.07 3.58 3.68 -1.26 -1.27 116.67 127.70 3jwd s ASP 1173Ca -0.01 -2.08 -0.19 0.00 2.13 0.00 0.00 52.55 52.40 3jwd s ASP 1173Cb -0.13 -2.32 -0.05 0.00 -1.45 0.00 0.00 42.92 38.97 3jwd s ASP 1173CO 0.03 -0.94 0.52 -0.63 0.13 0.00 0.00 175.17 174.29 3jwd s ILE 1174N 1.96 5.09 -0.10 4.11 -1.09 -1.12 -5.01 121.20 125.03 3jwd s ILE 1174Ca 0.23 1.06 0.03 0.00 -2.23 0.00 0.00 60.65 59.74 3jwd s ILE 1174Cb -0.11 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.91 3jwd s ILE 1174CO -0.05 0.37 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.13 3jwd s VAL 1175N 0.25 2.35 -0.03 2.92 1.01 -1.26 -2.20 120.40 123.44 3jwd s VAL 1175Ca 0.28 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 3jwd s VAL 1175Cb -0.16 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3jwd s VAL 1175CO 0.13 0.55 0.74 0.54 0.00 0.00 0.00 175.10 177.07 3jwd s VAL 1176N 0.29 4.93 -0.16 2.92 0.11 -1.26 -4.95 120.40 122.29 3jwd s VAL 1176Ca -0.15 1.56 0.03 0.00 -2.93 0.00 0.00 61.98 60.49 3jwd s VAL 1176Cb -0.17 -4.09 -0.12 0.00 -1.53 0.00 0.00 36.38 30.47 3jwd s VAL 1176CO 0.08 0.28 -0.11 0.18 -3.33 0.00 0.00 175.10 172.20 3jwd n LEU 1177N 3.48 2.34 -3.86 2.54 4.32 -1.26 -5.05 117.00 119.51 3jwd n LEU 1177Ca -0.01 -0.07 -0.11 0.00 -0.02 0.00 0.00 56.01 55.80 3jwd n LEU 1177Cb 0.51 -0.39 -0.10 0.00 -1.62 0.00 0.00 43.42 41.83 3jwd n LEU 1177CO 0.47 0.68 -0.15 0.00 -1.22 0.00 0.00 177.39 177.18 3jwd s ALA 1178N -2.33 -0.36 -0.23 -1.18 0.00 -1.26 -5.10 121.76 111.31 3jwd s ALA 1178Ca -0.19 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 3jwd s ALA 1178Cb 0.05 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.39 3jwd s ALA 1178CO 0.41 -0.24 0.53 -0.59 0.00 0.00 0.00 175.76 175.88 3jwd s PHE 1179N -1.58 -0.87 -0.02 0.00 -0.71 -1.26 -4.34 117.98 109.20 3jwd s PHE 1179Ca -0.13 1.73 -0.30 0.00 -1.04 0.00 0.00 56.93 57.19 3jwd s PHE 1179Cb -0.06 0.46 -0.07 0.00 -1.21 0.00 0.00 43.02 42.13 3jwd s PHE 1179CO 0.01 -0.47 1.80 -1.14 -1.34 0.00 0.00 175.22 174.08 3jwd s GLN 1180N 1.86 4.16 0.41 1.99 0.74 -1.26 -4.95 119.66 122.61 3jwd s GLN 1180Ca -0.08 2.37 -0.25 0.00 0.05 0.00 0.00 55.36 57.45 3jwd s GLN 1180Cb -0.08 -4.07 -0.08 0.00 1.10 0.00 0.00 33.01 29.88 3jwd s GLN 1180CO -0.16 -0.90 1.23 0.21 -0.55 0.00 0.00 175.29 175.12 3jwd s LYS 1181N 4.24 3.99 0.00 1.67 2.47 -1.26 -5.04 119.74 125.81 3jwd s LYS 1181Ca 0.80 1.97 0.00 0.00 -1.56 0.00 0.00 55.97 57.19 3jwd s LYS 1181Cb -0.37 -2.69 0.00 0.00 -1.46 0.00 0.00 37.83 33.30 3jwd s LYS 1181CO 0.35 -0.42 0.00 0.00 0.16 0.00 0.00 175.35 175.44 3jwd n ALA 1182N 0.06 0.00 0.60 3.13 0.00 -1.26 -5.28 120.51 117.75 3jwd n ALA 1182Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.55 3jwd n ALA 1182Cb 0.45 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.96 3jwd n ALA 1182CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93