#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwd s LYS 1001N 0.00 2.18 -0.17 3.17 2.20 -1.26 -5.08 119.74 120.77 3jwd s LYS 1001Ca 0.00 -1.09 -0.29 0.00 -0.36 0.00 0.00 55.97 54.23 3jwd s LYS 1001Cb 0.00 -2.29 -0.02 0.00 -1.51 0.00 0.00 37.83 34.01 3jwd s LYS 1001CO 0.00 0.48 1.37 0.21 -0.36 0.00 0.00 175.35 177.05 3jwd s LYS 1002N -2.50 4.13 -0.09 4.03 2.20 -1.26 -4.90 119.74 121.34 3jwd s LYS 1002Ca 0.24 1.69 -0.00 0.00 -0.36 0.00 0.00 55.97 57.53 3jwd s LYS 1002Cb -0.10 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.34 3jwd s LYS 1002CO 0.15 -0.85 -0.06 0.08 -0.36 0.00 0.00 175.35 174.31 3jwd s VAL 1003N 3.89 3.73 -0.10 4.02 1.01 -1.26 -0.28 120.40 131.41 3jwd s VAL 1003Ca 0.60 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 3jwd s VAL 1003Cb -0.23 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3jwd s VAL 1003CO 0.20 0.57 -0.05 -0.69 0.00 0.00 0.00 175.10 175.13 3jwd s VAL 1004N -0.45 0.81 -0.01 2.92 1.01 0.53 -4.94 120.40 120.27 3jwd s VAL 1004Ca 0.07 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 3jwd s VAL 1004Cb -0.12 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3jwd s VAL 1004CO 0.02 0.33 0.34 -0.76 0.00 0.00 0.00 175.10 175.04 3jwd s LEU 1005N 1.78 4.43 0.05 3.92 1.43 -1.26 -1.87 118.68 127.15 3jwd s LEU 1005Ca 0.05 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 3jwd s LEU 1005Cb -0.12 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3jwd s LEU 1005CO -0.07 0.31 -0.05 -0.83 0.23 0.00 0.00 176.35 175.94 3jwd s GLY 1006N -1.25 0.49 -0.09 -3.19 0.00 0.40 -4.95 107.32 98.72 3jwd s GLY 1006Ca 0.24 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.84 3jwd s GLY 1006CO 0.13 -1.09 0.29 0.54 0.00 0.00 0.00 173.10 172.97 3jwd s LYS 1007N -2.84 3.93 0.13 2.90 1.02 -1.26 -1.06 119.74 122.56 3jwd s LYS 1007Ca -0.01 0.15 -0.34 0.00 0.02 0.00 0.00 55.97 55.79 3jwd s LYS 1007Cb -0.01 -3.29 -0.14 0.00 -0.52 0.00 0.00 37.83 33.87 3jwd s LYS 1007CO -0.05 0.53 1.62 1.17 -0.92 0.00 0.00 175.35 177.70 3jwd n LYS 1008N 2.56 2.15 0.00 1.68 4.81 0.28 -0.85 118.16 128.78 3jwd n LYS 1008Ca -0.15 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 3jwd n LYS 1008Cb 0.53 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.02 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 3.54 3.31 3.92 3.14 0.00 -0.57 -4.92 105.19 113.61 3jwd n GLY 1009Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3jwd n GLY 1009CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jwd s ASP 1010N -0.94 3.68 -0.03 1.61 1.11 -0.03 -3.97 116.67 118.10 3jwd s ASP 1010Ca 0.00 0.45 0.03 0.00 0.18 0.00 0.00 52.55 53.21 3jwd s ASP 1010Cb 0.00 -0.67 -0.03 0.00 1.07 0.00 0.00 42.92 43.29 3jwd s ASP 1010CO 0.00 -2.39 -0.11 -0.89 1.18 0.00 0.00 175.17 172.96 3jwd s THR 1011N -3.75 3.32 -0.01 -1.27 2.01 -1.26 -1.18 115.64 113.50 3jwd s THR 1011Ca 0.69 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.98 3jwd s THR 1011Cb -0.07 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 3jwd s THR 1011CO 0.51 0.50 -0.13 0.54 -0.69 0.00 0.00 174.62 175.35 3jwd s VAL 1012N -0.85 1.05 -0.31 3.82 0.11 -0.29 -4.99 120.40 118.94 3jwd s VAL 1012Ca 0.14 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.60 3jwd s VAL 1012Cb -0.11 -0.88 0.05 0.00 -1.53 0.00 0.00 36.38 33.91 3jwd s VAL 1012CO 0.03 0.30 0.02 -0.70 -3.33 0.00 0.00 175.10 171.42 3jwd s GLU 1013N -0.25 2.47 -0.17 1.54 2.12 -1.26 -1.20 118.70 121.94 3jwd s GLU 1013Ca 0.04 -1.25 -0.19 0.00 0.36 0.00 0.00 54.97 53.93 3jwd s GLU 1013Cb -0.06 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 3jwd s GLU 1013CO -0.00 -0.63 0.56 -0.51 -0.54 0.00 0.00 175.26 174.14 3jwd s LEU 1014N 1.28 4.18 0.34 2.70 1.43 -0.76 -4.93 118.68 122.92 3jwd s LEU 1014Ca -0.05 0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 53.81 3jwd s LEU 1014Cb -0.20 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 3jwd s LEU 1014CO -0.00 -0.17 0.60 0.42 0.23 0.00 0.00 176.35 177.42 3jwd s THR 1015N 1.45 5.03 -0.22 5.49 -4.23 -1.26 -0.39 115.64 121.51 3jwd s THR 1015Ca 0.27 -0.09 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 3jwd s THR 1015Cb -0.16 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 69.96 3jwd s THR 1015CO 0.11 -0.50 0.52 0.00 -0.54 0.00 0.00 174.62 174.21 3jwd s THR 1017N 1.90 0.39 0.67 0.00 2.01 -1.26 -1.13 115.64 118.23 3jwd s THR 1017Ca -0.08 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.81 3jwd s THR 1017Cb -0.09 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.98 3jwd s THR 1017CO -0.16 0.20 1.04 0.00 -0.69 0.00 0.00 174.62 175.02 3jwd s ALA 1018N 1.14 3.01 0.28 7.40 0.00 -0.68 -4.98 121.76 127.93 3jwd s ALA 1018Ca -0.08 -0.45 0.20 0.00 0.00 0.00 0.00 51.96 51.63 3jwd s ALA 1018Cb -0.14 -2.90 0.92 0.00 0.00 0.00 0.00 23.12 21.00 3jwd s ALA 1018CO -0.01 -1.05 1.86 0.66 0.00 0.00 0.00 175.76 177.21 3jwd h SER 1019N -0.52 0.00 -4.37 0.00 4.64 -1.97 -3.44 113.55 107.89 3jwd h SER 1019Ca -0.45 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.40 3jwd h SER 1019Cb 1.26 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.13 3jwd h SER 1019CO 0.63 0.29 -0.80 0.00 -0.87 0.00 0.00 176.83 176.08 3jwd s GLN 1020N -3.92 0.93 -1.33 4.77 0.00 -1.26 -5.08 119.66 113.79 3jwd s GLN 1020Ca -0.01 -1.03 -0.17 0.00 -0.00 0.00 0.00 55.36 54.14 3jwd s GLN 1020Cb 0.12 -1.04 0.05 0.00 0.00 0.00 0.00 33.01 32.15 3jwd s GLN 1020CO 0.66 0.24 1.87 1.63 0.00 0.00 0.00 175.29 179.68 3jwd n LYS 1021N 1.21 3.04 -3.53 9.60 5.02 -1.26 -4.44 118.16 127.79 3jwd n LYS 1021Ca -0.21 -3.07 -0.17 0.00 -2.02 0.00 0.00 58.31 52.84 3jwd n LYS 1021Cb 0.54 -3.45 -0.06 0.00 -0.02 0.00 0.00 35.03 32.04 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 4.08 1.04 -0.06 1.97 -2.85 -1.22 -4.55 119.74 118.15 3jwd s LYS 1022Ca 0.53 0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 55.41 3jwd s LYS 1022Cb 0.06 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.27 3jwd s LYS 1022CO 0.04 -0.33 1.62 0.45 0.10 0.00 0.00 175.35 177.23 3jwd s SER 1023N -1.25 6.69 0.06 0.03 0.15 -1.03 -4.19 113.70 114.15 3jwd s SER 1023Ca -0.11 2.20 0.01 0.00 0.70 0.00 0.00 55.95 58.75 3jwd s SER 1023Cb -0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 3jwd s SER 1023CO 0.09 -0.91 -0.06 0.27 1.20 0.00 0.00 173.24 173.83 3jwd s ILE 1024N 3.93 0.47 -0.38 6.45 -4.36 -1.26 -5.04 121.20 121.01 3jwd s ILE 1024Ca 0.72 -1.52 -0.32 0.00 -0.26 0.00 0.00 60.65 59.27 3jwd s ILE 1024Cb -0.33 -1.14 -0.10 0.00 1.25 0.00 0.00 42.46 42.14 3jwd s ILE 1024CO 0.28 -0.70 2.26 0.00 0.24 0.00 0.00 174.94 177.02 3jwd n GLN 1025N 0.65 1.19 -4.27 0.37 1.13 -1.26 -4.95 117.38 110.25 3jwd n GLN 1025Ca -0.17 0.29 -0.26 0.00 -1.94 0.00 0.00 57.00 54.91 3jwd n GLN 1025Cb 0.58 -2.70 -0.08 0.00 0.11 0.00 0.00 30.24 28.16 3jwd n GLN 1025CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3jwd s PHE 1026N 8.30 2.47 -0.29 1.08 -0.12 -1.26 -4.22 117.98 123.93 3jwd s PHE 1026Ca 1.08 -0.65 -0.15 0.00 -0.05 0.00 0.00 56.93 57.16 3jwd s PHE 1026Cb -0.68 -1.89 0.14 0.00 -0.63 0.00 0.00 43.02 39.95 3jwd s PHE 1026CO 0.43 0.21 0.92 -1.58 -0.05 0.00 0.00 175.22 175.14 3jwd s HIS 1027N -2.66 -0.71 -0.21 3.49 2.46 -0.73 -3.28 115.29 113.65 3jwd s HIS 1027Ca 0.37 1.36 -0.13 0.00 0.47 0.00 0.00 55.06 57.13 3jwd s HIS 1027Cb 0.05 0.43 -0.05 0.00 -0.13 0.00 0.00 32.58 32.88 3jwd s HIS 1027CO 0.20 -0.35 0.26 -1.58 -2.47 0.00 0.00 174.74 170.80 3jwd s TRP 1028N 1.70 3.36 0.37 3.88 0.52 0.62 -0.91 118.94 128.49 3jwd s TRP 1028Ca -0.08 0.42 0.04 0.00 0.02 0.00 0.00 56.10 56.50 3jwd s TRP 1028Cb -0.05 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.87 3jwd s TRP 1028CO -0.16 0.08 0.08 0.15 0.02 0.00 0.00 176.95 177.12 3jwd s LYS 1029N 1.02 1.80 0.00 4.98 1.02 -0.35 -1.50 119.74 126.72 3jwd s LYS 1029Ca 0.13 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 54.06 3jwd s LYS 1029Cb -0.14 -0.81 0.00 0.00 -0.52 0.00 0.00 37.83 36.36 3jwd s LYS 1029CO 0.05 -0.32 0.00 0.27 -0.92 0.00 0.00 175.35 174.43 3jwd n ASN 1030N -0.98 0.00 0.02 2.83 0.23 -1.20 -0.46 115.26 115.69 3jwd n ASN 1030Ca -0.05 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.11 3jwd n ASN 1030Cb 0.66 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.33 3jwd n ASN 1030CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3jwd n SER 1031N 0.00 0.57 -1.29 0.53 3.41 -0.91 -3.56 113.62 112.37 3jwd n SER 1031Ca 0.00 -0.26 0.06 0.00 -0.26 0.00 0.00 58.87 58.41 3jwd n SER 1031Cb 0.00 1.02 0.27 0.00 -0.26 0.00 0.00 64.21 65.23 3jwd n SER 1031CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3jwd n ASN 1032N -1.98 3.76 -3.98 4.04 4.13 -1.26 -4.92 115.26 115.05 3jwd n ASN 1032Ca 0.01 -2.41 -0.32 0.00 1.68 0.00 0.00 54.58 53.55 3jwd n ASN 1032Cb 0.45 -0.52 0.01 0.00 -1.54 0.00 0.00 39.78 38.18 3jwd n ASN 1032CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3jwd n GLN 1033N 0.67 -4.99 -3.41 3.52 1.13 -1.23 -4.94 117.38 108.13 3jwd n GLN 1033Ca 0.19 0.55 -0.38 0.00 -1.94 0.00 0.00 57.00 55.41 3jwd n GLN 1033Cb 0.74 -5.41 -0.08 0.00 0.11 0.00 0.00 30.24 25.60 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 -3.29 5.20 -0.02 5.09 1.01 -1.26 -4.89 121.20 123.04 3jwd s ILE 1034Ca 0.69 0.60 -0.35 0.00 0.00 0.00 0.00 60.65 61.59 3jwd s ILE 1034Cb -0.35 -3.69 -0.13 0.00 0.01 0.00 0.00 42.46 38.29 3jwd s ILE 1034CO 0.85 0.21 1.75 0.29 0.00 0.00 0.00 174.94 178.04 3jwd n LYS 1035N 4.89 2.04 -0.07 2.79 5.02 -1.26 -3.27 118.16 128.29 3jwd n LYS 1035Ca -0.09 0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 56.81 3jwd n LYS 1035Cb 0.51 -2.54 -0.04 0.00 -0.02 0.00 0.00 35.03 32.93 3jwd n LYS 1035CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3jwd n ILE 1036N 4.43 1.30 -3.64 -0.18 5.41 -0.56 -3.09 119.36 123.03 3jwd n ILE 1036Ca 0.21 -0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.92 3jwd n ILE 1036Cb 0.27 -1.99 -0.07 0.00 -0.71 0.00 0.00 39.64 37.15 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 -7.43 -0.44 0.00 1.39 0.20 -1.12 -0.61 118.68 110.66 3jwd s LEU 1037Ca -0.25 0.75 -0.07 0.00 0.69 0.00 0.00 54.13 55.26 3jwd s LEU 1037Cb 0.06 1.71 0.03 0.00 -0.43 0.00 0.00 46.19 47.56 3jwd s LEU 1037CO 0.34 -0.12 0.39 0.61 -0.29 0.00 0.00 176.35 177.27 3jwd n GLY 1038N 3.13 1.59 3.57 7.98 0.00 -0.16 -0.28 105.19 121.02 3jwd n GLY 1038Ca -0.16 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.07 3.99 -0.44 1.61 4.22 -1.21 0.03 114.94 121.08 3jwd s ASN 1039Ca 0.09 -0.98 0.07 0.00 -2.14 0.00 0.00 52.86 49.89 3jwd s ASN 1039Cb -0.02 -0.49 0.23 0.00 1.28 0.00 0.00 41.25 42.25 3jwd s ASN 1039CO 0.07 -0.11 0.51 0.00 -2.04 0.00 0.00 177.10 175.52 3jwd n GLN 1040N -0.82 0.88 0.00 3.55 1.13 0.12 -4.69 117.38 117.54 3jwd n GLN 1040Ca -0.05 -3.45 0.00 0.00 -1.94 0.00 0.00 57.00 51.56 3jwd n GLN 1040Cb 0.61 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.47 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 1.68 1.28 0.24 1.08 0.00 -1.26 -3.48 105.19 104.73 3jwd n GLY 1041Ca 0.24 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 3.56 2.41 -4.74 1.61 3.41 -1.26 -4.94 113.62 113.67 3jwd n SER 1042Ca 0.00 -2.18 -0.34 0.00 -0.26 0.00 0.00 58.87 56.09 3jwd n SER 1042Cb 0.00 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.31 3.26 0.25 7.33 2.99 -1.23 -5.10 117.98 124.18 3jwd s PHE 1043Ca 0.13 0.24 -0.08 0.00 0.00 0.00 0.00 56.93 57.22 3jwd s PHE 1043Cb 0.08 -1.79 -0.06 0.00 0.00 0.00 0.00 43.02 41.25 3jwd s PHE 1043CO 0.05 0.54 0.54 -1.17 -0.00 0.00 0.00 175.22 175.19 3jwd s LEU 1044N -1.22 4.12 0.00 -0.37 2.96 -1.26 0.12 118.68 123.04 3jwd s LEU 1044Ca 0.17 0.83 -0.00 0.00 -0.22 0.00 0.00 54.13 54.90 3jwd s LEU 1044Cb -0.12 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 3jwd s LEU 1044CO 0.07 -0.12 -0.00 0.42 -1.32 0.00 0.00 176.35 175.40 3jwd s THR 1045N -1.92 0.04 -0.04 3.68 -4.23 0.10 -4.86 115.64 108.42 3jwd s THR 1045Ca 0.46 -0.33 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 3jwd s THR 1045Cb -0.11 -0.11 -0.02 0.00 1.34 0.00 0.00 72.50 73.60 3jwd s THR 1045CO 0.25 -0.18 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.40 3jwd s LYS 1046N -0.52 2.34 0.81 3.99 1.02 -1.26 -0.99 119.74 125.13 3jwd s LYS 1046Ca -0.06 -0.84 -0.07 0.00 0.02 0.00 0.00 55.97 55.03 3jwd s LYS 1046Cb -0.04 -2.19 0.16 0.00 -0.52 0.00 0.00 37.83 35.24 3jwd s LYS 1046CO -0.00 0.55 1.12 0.20 -0.92 0.00 0.00 175.35 176.30 3jwd s GLY 1047N -0.57 1.77 0.00 -3.33 0.00 0.22 -4.92 107.32 100.48 3jwd s GLY 1047Ca 0.08 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3jwd s GLY 1047CO 0.00 -0.88 0.47 -1.05 0.00 0.00 0.00 173.10 171.65 3jwd n PRO 1048N -3.20 0.88 -1.38 2.90 -0.02 -1.18 -4.75 135.00 128.25 3jwd n PRO 1048Ca 0.15 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.33 3jwd n PRO 1048Cb 0.60 -1.41 0.23 0.00 -0.02 0.00 0.00 33.50 32.91 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 -0.04 1.43 0.04 2.55 1.04 -1.23 -4.98 113.70 112.51 3jwd s SER 1049Ca 0.00 0.40 0.24 0.00 0.48 0.00 0.00 55.95 57.07 3jwd s SER 1049Cb 0.00 -0.49 0.32 0.00 0.10 0.00 0.00 66.02 65.95 3jwd s SER 1049CO 0.00 -3.78 1.27 0.29 0.98 0.00 0.00 173.24 172.00 3jwd n LYS 1050N -4.49 0.12 -0.09 4.02 5.02 -1.26 -3.52 118.16 117.96 3jwd n LYS 1050Ca 0.15 0.02 0.06 0.00 -2.02 0.00 0.00 58.31 56.53 3jwd n LYS 1050Cb 0.60 -1.56 0.24 0.00 -0.02 0.00 0.00 35.03 34.29 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 -1.73 1.19 -0.09 -0.35 4.32 -1.26 -4.62 117.00 114.46 3jwd n LEU 1051Ca 0.04 -0.56 -0.11 0.00 -0.02 0.00 0.00 56.01 55.36 3jwd n LEU 1051Cb 0.38 -0.12 -0.08 0.00 -1.62 0.00 0.00 43.42 41.98 3jwd n LEU 1051CO 0.37 0.28 0.50 -1.13 -1.22 0.00 0.00 177.39 176.19 3jwd h ASN 1052N 1.41 -1.42 0.79 -1.43 -0.73 -1.85 0.49 115.58 112.83 3jwd h ASN 1052Ca 0.00 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.35 3jwd h ASN 1052Cb 0.32 0.58 0.00 0.00 0.27 0.00 0.00 38.32 39.48 3jwd h ASN 1052CO 0.00 -0.32 0.00 -2.24 -0.37 0.00 0.00 177.43 174.50 3jwd h ASP 1053N -0.33 0.00 0.00 1.15 3.04 -1.90 -3.20 116.42 115.18 3jwd h ASP 1053Ca 0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 3jwd h ASP 1053Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.76 3jwd h ASP 1053CO -0.44 0.00 -0.89 0.54 -2.04 0.00 0.00 179.24 176.41 3jwd n ARG 1054N -2.46 2.15 -3.83 4.15 1.74 -0.44 -4.95 116.66 113.02 3jwd n ARG 1054Ca 0.02 -0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.69 3jwd n ARG 1054Cb 0.24 -1.15 -0.06 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.38 3.85 0.00 7.54 0.00 0.16 -2.02 121.76 128.92 3jwd s ALA 1055Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3jwd s ALA 1055Cb 0.09 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.19 3jwd s ALA 1055CO 0.51 0.59 0.00 -3.47 0.00 0.00 0.00 175.76 173.39 3jwd n ASP 1056N 2.01 0.00 -4.62 0.00 2.03 -0.69 -4.88 116.55 110.39 3jwd n ASP 1056Ca -0.19 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.83 3jwd n ASP 1056Cb 0.55 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.14 3jwd n ASP 1056CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3jwd s SER 1057N 0.00 2.25 -0.05 1.67 0.15 -1.26 -4.31 113.70 112.15 3jwd s SER 1057Ca 0.00 1.43 0.06 0.00 0.70 0.00 0.00 55.95 58.14 3jwd s SER 1057Cb 0.00 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 3jwd s SER 1057CO 0.00 -3.40 -0.22 -0.13 1.20 0.00 0.00 173.24 170.69 3jwd s ARG 1058N -4.77 2.16 0.34 5.44 1.81 -1.26 -4.99 118.95 117.68 3jwd s ARG 1058Ca 0.66 -0.79 0.16 0.00 -1.72 0.00 0.00 55.73 54.04 3jwd s ARG 1058Cb -0.21 -1.88 0.56 0.00 -0.45 0.00 0.00 34.95 32.97 3jwd s ARG 1058CO 0.60 0.35 1.69 0.07 -0.68 0.00 0.00 175.30 177.33 3jwd h ARG 1059N 6.04 0.00 -0.47 3.54 -0.00 -1.97 -3.27 114.38 118.24 3jwd h ARG 1059Ca -0.34 0.00 0.14 0.00 -0.00 0.00 0.00 59.98 59.78 3jwd h ARG 1059Cb 1.17 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.12 3jwd h ARG 1059CO 0.47 0.46 0.56 0.66 -0.00 0.00 0.00 179.97 182.12 3jwd h SER 1060N 0.00 0.00 0.12 0.08 4.64 -1.96 0.57 113.55 117.00 3jwd h SER 1060Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jwd h SER 1060Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3jwd h SER 1060CO 0.06 0.00 -0.71 0.18 -0.87 0.00 0.00 176.83 175.49 3jwd n LEU 1061N -3.57 1.13 0.26 5.97 4.32 -1.23 -4.33 117.00 119.55 3jwd n LEU 1061Ca 0.09 -0.43 0.08 0.00 -0.02 0.00 0.00 56.01 55.73 3jwd n LEU 1061Cb 0.75 -0.06 0.63 0.00 -1.62 0.00 0.00 43.42 43.11 3jwd n LEU 1061CO 0.26 0.25 1.05 -0.50 -1.22 0.00 0.00 177.39 177.23 3jwd h TRP 1062N 0.65 0.00 0.00 -1.77 6.55 -0.80 -1.60 115.95 118.98 3jwd h TRP 1062Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3jwd h TRP 1062Cb 0.56 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.86 3jwd h TRP 1062CO 0.00 0.02 0.00 -0.25 -1.05 0.00 0.00 178.44 177.16 3jwd n ASP 1063N -4.52 0.00 -0.81 -3.49 8.00 -1.26 -1.49 116.55 112.99 3jwd n ASP 1063Ca -0.03 0.50 0.07 0.00 0.71 0.00 0.00 54.79 56.04 3jwd n ASP 1063Cb 0.11 -0.50 0.18 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.50 2.58 -0.96 -1.24 3.00 -0.64 -3.40 117.38 115.21 3jwd n GLN 1064Ca 0.04 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.92 3jwd n GLN 1064Cb 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 29.08 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 0.84 0.46 3.60 1.08 0.00 -0.55 -4.47 105.19 106.15 3jwd n GLY 1065Ca 0.14 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.48 6.19 -0.50 1.61 0.01 -0.98 -1.69 114.94 117.10 3jwd s ASN 1066Ca 0.00 0.18 0.07 0.00 -0.71 0.00 0.00 52.86 52.40 3jwd s ASN 1066Cb 0.00 -2.19 0.25 0.00 0.41 0.00 0.00 41.25 39.72 3jwd s ASN 1066CO 0.00 -0.16 0.62 0.49 -1.51 0.00 0.00 177.10 176.54 3jwd n PHE 1067N 5.27 1.38 -1.64 2.20 3.01 -0.28 -3.09 117.46 124.31 3jwd n PHE 1067Ca -0.10 -3.82 -0.32 0.00 1.01 0.00 0.00 57.45 54.22 3jwd n PHE 1067Cb 0.51 -0.44 0.05 0.00 -0.01 0.00 0.00 39.48 39.59 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 -1.74 2.80 -0.31 -1.08 0.02 -1.26 -4.11 135.00 129.32 3jwd s PRO 1068Ca 0.37 1.19 0.02 0.00 0.02 0.00 0.00 61.00 62.59 3jwd s PRO 1068Cb 0.16 -1.96 0.08 0.00 0.02 0.00 0.00 34.50 32.79 3jwd s PRO 1068CO -0.07 -1.23 -0.00 -1.17 -0.33 0.00 0.00 177.00 174.20 3jwd s LEU 1069N -5.23 4.14 -0.24 -5.54 2.96 0.48 -4.29 118.68 110.96 3jwd s LEU 1069Ca 0.63 -1.66 -0.11 0.00 -0.22 0.00 0.00 54.13 52.76 3jwd s LEU 1069Cb -0.17 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3jwd s LEU 1069CO 0.48 -0.30 0.20 -0.63 -1.32 0.00 0.00 176.35 174.77 3jwd s ILE 1070N 1.08 5.33 -0.20 6.68 1.01 -1.26 -1.83 121.20 132.01 3jwd s ILE 1070Ca -0.00 0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.89 3jwd s ILE 1070Cb -0.20 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3jwd s ILE 1070CO -0.05 0.33 -0.10 -0.63 0.00 0.00 0.00 174.94 174.49 3jwd s ILE 1071N 1.13 2.92 0.31 2.92 1.01 -0.34 -1.71 121.20 127.44 3jwd s ILE 1071Ca 0.09 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.16 3jwd s ILE 1071Cb -0.14 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 3jwd s ILE 1071CO 0.05 0.47 0.38 -1.59 0.00 0.00 0.00 174.94 174.25 3jwd s LYS 1072N 1.34 3.03 -1.38 2.79 -2.85 -0.85 -1.14 119.74 120.68 3jwd s LYS 1072Ca 0.04 -1.06 -0.04 0.00 -1.00 0.00 0.00 55.97 53.91 3jwd s LYS 1072Cb -0.14 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 32.92 3jwd s LYS 1072CO -0.06 0.15 0.42 -1.71 0.10 0.00 0.00 175.35 174.25 3jwd n ASN 1073N -1.49 -0.91 -4.45 0.03 5.15 -1.15 -4.81 115.26 107.62 3jwd n ASN 1073Ca -0.02 -1.06 -0.40 0.00 -0.60 0.00 0.00 54.58 52.50 3jwd n ASN 1073Cb 0.58 -2.82 0.02 0.00 -0.53 0.00 0.00 39.78 37.03 3jwd n ASN 1073CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3jwd n LEU 1074N -4.44 0.11 -4.65 1.20 4.77 -0.33 -4.62 117.00 109.05 3jwd n LEU 1074Ca -0.28 0.82 -0.29 0.00 -0.03 0.00 0.00 56.01 56.22 3jwd n LEU 1074Cb 0.67 -1.13 -0.09 0.00 -2.33 0.00 0.00 43.42 40.55 3jwd n LEU 1074CO 0.75 -3.07 -0.25 -0.54 -1.33 0.00 0.00 177.39 172.95 3jwd s LYS 1075N -1.77 2.04 0.26 3.23 1.02 -1.26 -1.51 119.74 121.75 3jwd s LYS 1075Ca 0.65 -2.25 0.14 0.00 0.02 0.00 0.00 55.97 54.53 3jwd s LYS 1075Cb -0.52 -1.28 0.10 0.00 -0.52 0.00 0.00 37.83 35.61 3jwd s LYS 1075CO 0.57 -0.31 1.45 0.82 -0.92 0.00 0.00 175.35 176.96 3jwd h ILE 1076N 1.60 1.06 0.00 2.17 1.08 -1.96 -3.11 117.51 118.36 3jwd h ILE 1076Ca -0.42 -2.38 0.00 0.00 -0.39 0.00 0.00 64.86 61.67 3jwd h ILE 1076Cb 1.29 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 37.47 3jwd h ILE 1076CO 0.71 0.58 0.00 -0.62 -0.69 0.00 0.00 178.15 178.13 3jwd n GLU 1077N -3.31 0.08 -0.03 2.37 4.71 -1.26 -2.46 120.64 120.74 3jwd n GLU 1077Ca 0.01 0.27 0.07 0.00 -0.01 0.00 0.00 57.16 57.50 3jwd n GLU 1077Cb 0.74 -1.64 0.38 0.00 -1.01 0.00 0.00 31.44 29.92 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 -1.78 0.47 -4.64 1.62 8.00 -1.17 -4.77 116.55 114.27 3jwd n ASP 1078Ca 0.04 -1.63 -0.43 0.00 0.71 0.00 0.00 54.79 53.47 3jwd n ASP 1078Cb 0.23 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.42 6.86 -0.20 -2.24 0.01 -1.03 -4.86 113.70 110.83 3jwd s SER 1079Ca 0.23 1.19 -0.36 0.00 1.31 0.00 0.00 55.95 58.32 3jwd s SER 1079Cb 0.11 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.94 3jwd s SER 1079CO 0.18 -0.92 1.23 -0.62 0.41 0.00 0.00 173.24 173.52 3jwd s ASP 1080N 2.02 -0.12 -0.21 2.44 2.15 -0.80 -4.99 116.67 117.15 3jwd s ASP 1080Ca 0.50 -0.00 -0.25 0.00 0.43 0.00 0.00 52.55 53.23 3jwd s ASP 1080Cb -0.15 0.13 -0.01 0.00 -0.30 0.00 0.00 42.92 42.59 3jwd s ASP 1080CO 0.17 -0.21 0.84 -0.89 -0.17 0.00 0.00 175.17 174.91 3jwd s THR 1081N -2.38 4.85 -0.19 1.71 2.01 -1.26 -1.54 115.64 118.84 3jwd s THR 1081Ca 0.10 1.61 -0.04 0.00 0.31 0.00 0.00 61.69 63.66 3jwd s THR 1081Cb -0.01 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 3jwd s THR 1081CO -0.04 -0.03 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.52 3jwd s TYR 1082N 2.56 3.01 -0.22 4.92 1.51 0.71 -2.13 117.35 127.71 3jwd s TYR 1082Ca 0.37 -0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 55.83 3jwd s TYR 1082Cb -0.16 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 3jwd s TYR 1082CO 0.09 -0.26 0.06 0.42 -1.11 0.00 0.00 175.55 174.75 3jwd s ILE 1083N 0.95 4.46 -0.38 2.71 1.01 0.39 -1.75 121.20 128.59 3jwd s ILE 1083Ca 0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 3jwd s ILE 1083Cb -0.14 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.28 3jwd s ILE 1083CO 0.01 0.40 0.33 0.00 0.00 0.00 0.00 174.94 175.68 3jwd s GLU 1085N 1.88 3.48 -0.07 0.00 2.02 -0.08 -2.60 118.70 123.32 3jwd s GLU 1085Ca 0.09 -0.40 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 3jwd s GLU 1085Cb -0.18 -3.84 0.04 0.00 0.10 0.00 0.00 34.13 30.25 3jwd s GLU 1085CO 0.11 -0.64 0.16 0.54 0.02 0.00 0.00 175.26 175.45 3jwd s VAL 1086N 2.19 -0.08 -0.81 2.63 0.11 -0.77 -1.78 120.40 121.88 3jwd s VAL 1086Ca 0.14 0.20 -0.01 0.00 -2.93 0.00 0.00 61.98 59.38 3jwd s VAL 1086Cb -0.16 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 3jwd s VAL 1086CO 0.13 0.08 0.61 -1.84 -3.33 0.00 0.00 175.10 170.75 3jwd n GLU 1087N 4.36 -1.54 -1.91 1.54 0.28 -1.26 -2.11 120.64 120.00 3jwd n GLU 1087Ca -0.24 0.83 -0.18 0.00 -0.16 0.00 0.00 57.16 57.41 3jwd n GLU 1087Cb 0.51 -2.51 -0.05 0.00 1.43 0.00 0.00 31.44 30.83 3jwd n GLU 1087CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3jwd n ASP 1088N -2.50 -4.98 -4.07 -1.84 8.00 -1.26 -4.95 116.55 104.95 3jwd n ASP 1088Ca -0.29 0.28 -0.19 0.00 0.71 0.00 0.00 54.79 55.30 3jwd n ASP 1088Cb 0.68 -4.33 -0.14 0.00 -0.02 0.00 0.00 41.12 37.32 3jwd n ASP 1088CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jwd s GLN 1089N -4.18 0.81 -0.61 -1.24 -2.07 -0.90 -5.10 119.66 106.37 3jwd s GLN 1089Ca 0.00 -0.52 0.05 0.00 -1.82 0.00 0.00 55.36 53.07 3jwd s GLN 1089Cb 0.00 -0.77 0.19 0.00 -1.09 0.00 0.00 33.01 31.34 3jwd s GLN 1089CO 0.00 0.20 0.51 1.63 -1.32 0.00 0.00 175.29 176.31 3jwd n LYS 1090N 2.39 1.54 -2.20 9.60 4.01 -1.26 -1.86 118.16 130.38 3jwd n LYS 1090Ca -0.16 -4.15 -0.42 0.00 -0.51 0.00 0.00 58.31 53.07 3jwd n LYS 1090Cb 0.56 -2.07 -0.03 0.00 -0.51 0.00 0.00 35.03 32.98 3jwd n LYS 1090CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3jwd s GLU 1091N -1.32 4.35 0.11 1.97 2.02 -1.07 -4.83 118.70 119.93 3jwd s GLU 1091Ca 0.30 2.05 0.06 0.00 0.02 0.00 0.00 54.97 57.40 3jwd s GLU 1091Cb 0.03 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 3jwd s GLU 1091CO -0.14 -0.35 -0.00 -2.00 0.02 0.00 0.00 175.26 172.78 3jwd s GLU 1092N 0.58 2.49 -0.12 1.61 2.12 -1.26 -1.08 118.70 123.04 3jwd s GLU 1092Ca 0.61 -0.91 -0.09 0.00 0.36 0.00 0.00 54.97 54.93 3jwd s GLU 1092Cb -0.36 -2.48 0.03 0.00 0.26 0.00 0.00 34.13 31.58 3jwd s GLU 1092CO 0.34 0.52 0.30 0.54 -0.54 0.00 0.00 175.26 176.41 3jwd s VAL 1093N -1.41 -0.01 -0.32 3.70 0.11 -0.72 -4.15 120.40 117.61 3jwd s VAL 1093Ca 0.26 0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 59.20 3jwd s VAL 1093Cb -0.11 -0.43 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 3jwd s VAL 1093CO 0.18 0.01 0.34 -1.58 -3.33 0.00 0.00 175.10 170.73 3jwd s GLN 1094N 0.47 3.72 -0.21 1.54 2.00 0.61 -0.21 119.66 127.59 3jwd s GLN 1094Ca -0.03 -0.30 -0.08 0.00 -2.00 0.00 0.00 55.36 52.96 3jwd s GLN 1094Cb -0.04 -3.75 -0.04 0.00 0.80 0.00 0.00 33.01 29.98 3jwd s GLN 1094CO -0.02 -0.42 0.09 -1.17 -0.50 0.00 0.00 175.29 173.27 3jwd s LEU 1095N 2.00 3.86 -0.15 3.68 2.96 -0.59 -0.35 118.68 130.09 3jwd s LEU 1095Ca 0.12 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 3jwd s LEU 1095Cb -0.16 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.55 3jwd s LEU 1095CO 0.11 0.11 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.37 3jwd s LEU 1096N 0.76 1.63 -0.32 -0.68 1.43 -0.78 -1.90 118.68 118.82 3jwd s LEU 1096Ca 0.05 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 3jwd s LEU 1096Cb -0.13 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 44.99 3jwd s LEU 1096CO 0.02 -0.08 0.11 -0.69 0.23 0.00 0.00 176.35 175.94 3jwd s VAL 1097N 1.53 4.10 0.11 -1.59 1.01 -1.26 -0.45 120.40 123.84 3jwd s VAL 1097Ca 0.04 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3jwd s VAL 1097Cb -0.13 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3jwd s VAL 1097CO -0.10 -0.01 0.20 -0.36 0.00 0.00 0.00 175.10 174.82 3jwd s PHE 1098N 1.50 3.39 0.14 5.22 0.40 -0.22 -4.08 117.98 124.33 3jwd s PHE 1098Ca 0.02 0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.52 3jwd s PHE 1098Cb -0.18 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 3jwd s PHE 1098CO 0.04 0.54 -0.10 0.20 0.70 0.00 0.00 175.22 176.60 3jwd s GLY 1099N -2.81 1.03 -0.20 4.36 0.00 -0.11 -0.56 107.32 109.03 3jwd s GLY 1099Ca 0.33 -1.45 -0.07 0.00 0.00 0.00 0.00 44.72 43.52 3jwd s GLY 1099CO 0.26 -1.55 0.42 -2.27 0.00 0.00 0.00 173.10 169.97 3jwd s LEU 1100N -3.08 -0.57 0.21 0.66 0.20 -1.26 0.07 118.68 114.91 3jwd s LEU 1100Ca 0.15 0.99 0.07 0.00 0.69 0.00 0.00 54.13 56.04 3jwd s LEU 1100Cb 0.02 1.38 -0.04 0.00 -0.43 0.00 0.00 46.19 47.12 3jwd s LEU 1100CO 0.00 -0.23 0.08 0.42 -0.29 0.00 0.00 176.35 176.33 3jwd s THR 1101N 2.41 4.01 -0.15 3.68 -4.23 -0.34 -4.95 115.64 116.07 3jwd s THR 1101Ca -0.03 -1.45 -0.02 0.00 -1.18 0.00 0.00 61.69 59.01 3jwd s THR 1101Cb -0.11 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.68 3jwd s THR 1101CO -0.13 -0.23 -0.01 0.00 -0.54 0.00 0.00 174.62 173.72 3jwd s ALA 1102N -1.97 1.07 -0.12 3.99 0.00 -1.26 -1.29 121.76 122.18 3jwd s ALA 1102Ca 0.30 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 3jwd s ALA 1102Cb -0.08 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 3jwd s ALA 1102CO 0.21 -0.81 -0.04 -0.80 0.00 0.00 0.00 175.76 174.33 3jwd s ASN 1103N 1.82 4.85 -0.20 0.00 0.01 -0.88 -4.99 114.94 115.56 3jwd s ASN 1103Ca 0.02 -0.05 -0.03 0.00 -0.71 0.00 0.00 52.86 52.08 3jwd s ASN 1103Cb -0.15 -1.60 0.06 0.00 0.41 0.00 0.00 41.25 39.97 3jwd s ASN 1103CO -0.07 0.25 0.03 -0.55 -1.51 0.00 0.00 177.10 175.25 3jwd s SER 1104N -0.11 2.99 -0.25 -1.22 0.15 -1.26 -0.96 113.70 113.03 3jwd s SER 1104Ca 0.03 -0.86 -0.05 0.00 0.70 0.00 0.00 55.95 55.76 3jwd s SER 1104Cb -0.13 -0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 63.55 3jwd s SER 1104CO 0.02 -0.31 0.02 -1.81 1.20 0.00 0.00 173.24 172.37 3jwd s ASP 1105N 1.83 4.74 -0.19 5.45 1.01 -1.06 -4.92 116.67 123.54 3jwd s ASP 1105Ca -0.01 -0.51 -0.07 0.00 0.71 0.00 0.00 52.55 52.68 3jwd s ASP 1105Cb -0.17 -1.81 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 3jwd s ASP 1105CO -0.08 -0.09 0.05 0.28 0.21 0.00 0.00 175.17 175.53 3jwd s THR 1106N 1.50 4.56 0.12 -1.27 -1.32 -1.26 -1.68 115.64 116.29 3jwd s THR 1106Ca 0.04 -0.11 0.11 0.00 -1.21 0.00 0.00 61.69 60.52 3jwd s THR 1106Cb -0.16 -3.06 -0.04 0.00 -1.51 0.00 0.00 72.50 67.74 3jwd s THR 1106CO -0.00 0.45 -0.26 -1.00 -2.21 0.00 0.00 174.62 171.59 3jwd s HIS 1107N 0.55 2.27 0.38 9.09 3.76 -0.42 -4.97 115.29 125.95 3jwd s HIS 1107Ca 0.02 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.29 3jwd s HIS 1107Cb -0.13 -1.24 -0.09 0.00 1.11 0.00 0.00 32.58 32.23 3jwd s HIS 1107CO 0.01 0.31 1.15 -0.51 -0.85 0.00 0.00 174.74 174.85 3jwd s LEU 1108N -1.96 4.24 -1.36 0.89 1.43 -1.26 -1.15 118.68 119.50 3jwd s LEU 1108Ca 0.13 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 3jwd s LEU 1108Cb -0.10 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.14 3jwd s LEU 1108CO 0.05 -0.58 0.00 0.18 0.23 0.00 0.00 176.35 176.24 3jwd n LEU 1109N 0.22 -0.97 0.05 1.79 4.32 -1.26 -4.76 117.00 116.39 3jwd n LEU 1109Ca 0.04 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 3jwd n LEU 1109Cb 0.47 -1.97 0.00 0.00 -1.62 0.00 0.00 43.42 40.30 3jwd n LEU 1109CO 0.50 -0.65 0.00 0.00 -1.22 0.00 0.00 177.39 176.02 3jwd n GLN 1110N -2.61 0.00 0.00 3.23 1.13 -1.10 -5.18 117.38 112.85 3jwd n GLN 1110Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 3jwd n GLN 1110Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.78 3jwd n GLN 1110CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jwd n GLY 1111N 1.26 0.48 3.59 1.08 0.00 -0.30 -4.83 105.19 106.47 3jwd n GLY 1111Ca 0.00 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.46 3.90 0.21 1.61 0.74 -1.22 -1.31 119.66 123.13 3jwd s GLN 1112Ca 0.00 -0.37 0.05 0.00 0.05 0.00 0.00 55.36 55.09 3jwd s GLN 1112Cb 0.00 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 3jwd s GLN 1112CO 0.00 0.10 0.23 -1.54 -0.55 0.00 0.00 175.29 173.54 3jwd s SER 1113N 0.85 5.84 -0.02 6.67 1.04 -0.67 -0.58 113.70 126.82 3jwd s SER 1113Ca 0.04 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3jwd s SER 1113Cb -0.13 -1.60 0.02 0.00 0.10 0.00 0.00 66.02 64.41 3jwd s SER 1113CO 0.02 -0.00 0.00 -0.22 0.98 0.00 0.00 173.24 174.03 3jwd s LEU 1114N -3.58 1.29 -0.19 2.42 2.96 -0.08 -2.56 118.68 118.94 3jwd s LEU 1114Ca 0.33 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 3jwd s LEU 1114Cb -0.09 -0.16 0.06 0.00 0.50 0.00 0.00 46.19 46.49 3jwd s LEU 1114CO 0.26 -0.09 0.02 -0.89 -1.32 0.00 0.00 176.35 174.34 3jwd s THR 1115N 0.85 0.62 -0.21 3.68 2.01 -0.14 0.17 115.64 122.61 3jwd s THR 1115Ca -0.08 -0.57 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 3jwd s THR 1115Cb -0.11 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 3jwd s THR 1115CO -0.02 -0.16 0.37 -0.76 -0.69 0.00 0.00 174.62 173.37 3jwd s LEU 1116N 1.82 4.14 -0.12 4.42 1.43 0.39 -2.06 118.68 128.70 3jwd s LEU 1116Ca -0.01 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 3jwd s LEU 1116Cb -0.17 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 3jwd s LEU 1116CO -0.08 -0.08 -0.16 -0.89 0.23 0.00 0.00 176.35 175.38 3jwd s THR 1117N 1.38 2.84 -0.26 5.49 2.01 -0.41 -0.04 115.64 126.64 3jwd s THR 1117Ca 0.18 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 3jwd s THR 1117Cb -0.15 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 3jwd s THR 1117CO 0.08 0.54 0.25 -0.22 -0.69 0.00 0.00 174.62 174.58 3jwd s LEU 1118N 0.24 4.06 -0.60 4.42 2.96 0.16 -1.19 118.68 128.73 3jwd s LEU 1118Ca -0.10 0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.75 3jwd s LEU 1118Cb -0.16 -2.23 0.09 0.00 0.50 0.00 0.00 46.19 44.39 3jwd s LEU 1118CO 0.06 -0.06 0.76 -0.70 -1.32 0.00 0.00 176.35 175.09 3jwd s GLU 1119N 1.66 3.07 0.09 1.98 2.12 0.11 -4.89 118.70 122.83 3jwd s GLU 1119Ca 0.10 -1.17 0.02 0.00 0.36 0.00 0.00 54.97 54.29 3jwd s GLU 1119Cb -0.15 -4.24 -0.04 0.00 0.26 0.00 0.00 34.13 29.95 3jwd s GLU 1119CO 0.09 -1.59 0.15 -1.54 -0.54 0.00 0.00 175.26 171.84 3jwd s SER 1120N 3.57 5.88 0.53 -1.70 1.04 -1.26 -0.94 113.70 120.82 3jwd s SER 1120Ca 0.14 0.08 -0.21 0.00 0.48 0.00 0.00 55.95 56.44 3jwd s SER 1120Cb -0.22 -1.67 -0.05 0.00 0.10 0.00 0.00 66.02 64.17 3jwd s SER 1120CO 0.08 0.14 1.26 -2.16 0.98 0.00 0.00 173.24 173.54 3jwd s PRO 1121N -2.63 3.31 -0.05 4.02 0.04 -1.26 -4.92 135.00 133.52 3jwd s PRO 1121Ca 0.32 1.98 -0.35 0.00 0.04 0.00 0.00 61.00 62.99 3jwd s PRO 1121Cb -0.12 -2.23 -0.13 0.00 0.04 0.00 0.00 34.50 32.06 3jwd s PRO 1121CO 0.25 -0.98 1.74 -2.30 0.04 0.00 0.00 177.00 175.75 3jwd n PRO 1122N -0.98 1.92 -1.99 0.56 -0.02 -1.26 -3.69 135.00 129.54 3jwd n PRO 1122Ca 0.10 0.70 -0.02 0.00 -2.02 0.00 0.00 63.50 62.26 3jwd n PRO 1122Cb 0.47 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 3.98 -0.87 3.57 -1.23 0.00 -1.26 -5.10 105.19 104.27 3jwd n GLY 1123Ca 0.22 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.68 -0.47 -0.70 1.61 1.04 -1.24 -5.12 113.70 107.15 3jwd s SER 1124Ca 0.08 0.57 0.02 0.00 0.48 0.00 0.00 55.95 57.10 3jwd s SER 1124Cb -0.02 0.47 0.17 0.00 0.10 0.00 0.00 66.02 66.74 3jwd s SER 1124CO 0.27 -0.39 0.50 -0.55 0.98 0.00 0.00 173.24 174.06 3jwd s SER 1125N -0.92 5.08 0.36 7.02 0.15 -1.26 -5.01 113.70 119.12 3jwd s SER 1125Ca -0.04 -3.46 -0.12 0.00 0.70 0.00 0.00 55.95 53.03 3jwd s SER 1125Cb -0.01 -1.75 -0.08 0.00 -1.71 0.00 0.00 66.02 62.48 3jwd s SER 1125CO 0.03 -0.19 0.74 -2.84 1.20 0.00 0.00 173.24 172.18 3jwd s PRO 1126N -0.93 3.87 -0.22 5.44 0.02 -1.26 -4.75 135.00 137.17 3jwd s PRO 1126Ca 0.22 0.54 -0.01 0.00 0.02 0.00 0.00 61.00 61.78 3jwd s PRO 1126Cb -0.13 -2.42 0.06 0.00 0.02 0.00 0.00 34.50 32.03 3jwd s PRO 1126CO -0.10 0.07 -0.02 0.45 -0.33 0.00 0.00 177.00 177.07 3jwd s SER 1127N -2.73 3.53 0.01 2.53 0.15 -0.89 -4.94 113.70 111.36 3jwd s SER 1127Ca 0.52 -1.06 -0.19 0.00 0.70 0.00 0.00 55.95 55.92 3jwd s SER 1127Cb -0.10 -0.97 -0.06 0.00 -1.71 0.00 0.00 66.02 63.18 3jwd s SER 1127CO 0.25 -0.26 0.56 -0.69 1.20 0.00 0.00 173.24 174.29 3jwd s VAL 1128N 1.56 4.88 -0.34 4.45 1.01 -1.15 -1.92 120.40 128.89 3jwd s VAL 1128Ca -0.04 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.10 3jwd s VAL 1128Cb -0.18 -3.89 0.12 0.00 0.00 0.00 0.00 36.38 32.43 3jwd s VAL 1128CO -0.07 0.48 0.16 -1.58 0.00 0.00 0.00 175.10 174.09 3jwd s GLN 1129N -0.55 0.63 0.06 2.72 2.00 -1.07 -2.74 119.66 120.72 3jwd s GLN 1129Ca 0.29 -1.16 -0.21 0.00 -2.00 0.00 0.00 55.36 52.28 3jwd s GLN 1129Cb -0.18 -1.66 -0.06 0.00 0.80 0.00 0.00 33.01 31.91 3jwd s GLN 1129CO 0.17 -1.08 0.64 0.00 -0.50 0.00 0.00 175.29 174.51 3jwd s ARG 1131N -0.66 2.87 0.55 0.00 3.52 0.24 -0.92 118.95 124.55 3jwd s ARG 1131Ca 0.32 -0.98 -0.21 0.00 -0.13 0.00 0.00 55.73 54.73 3jwd s ARG 1131Cb -0.20 -3.20 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 3jwd s ARG 1131CO 0.20 -0.46 1.29 0.45 -0.81 0.00 0.00 175.30 175.97 3jwd n SER 1132N 4.75 2.37 -0.32 -2.12 2.88 -0.85 -2.83 113.62 117.51 3jwd n SER 1132Ca -0.15 0.96 0.21 0.00 -1.33 0.00 0.00 58.87 58.56 3jwd n SER 1132Cb 0.47 -1.54 0.49 0.00 -0.75 0.00 0.00 64.21 62.88 3jwd n SER 1132CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3jwd h PRO 1133N 1.31 0.42 -0.01 -1.46 0.11 -1.84 0.14 132.00 130.68 3jwd h PRO 1133Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3jwd h PRO 1133Cb 1.31 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jwd h PRO 1133CO 0.56 0.28 -0.01 2.89 -0.21 0.00 0.00 178.00 181.51 3jwd n ARG 1134N -4.63 1.52 0.00 1.05 1.85 -1.26 -4.89 116.66 110.31 3jwd n ARG 1134Ca 0.24 -0.79 0.00 0.00 -1.00 0.00 0.00 57.85 56.31 3jwd n ARG 1134Cb 0.83 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.75 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 1.15 1.21 3.50 2.89 0.00 0.50 -5.05 105.19 109.40 3jwd n GLY 1135Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.54 3.72 0.35 1.61 2.20 -1.23 -4.78 119.74 121.08 3jwd s LYS 1136Ca 0.00 -1.72 -0.27 0.00 -0.36 0.00 0.00 55.97 53.62 3jwd s LYS 1136Cb 0.00 -5.15 -0.09 0.00 -1.51 0.00 0.00 37.83 31.07 3jwd s LYS 1136CO 0.00 -1.97 1.25 -0.80 -0.36 0.00 0.00 175.35 173.47 3jwd s ASN 1137N 4.00 6.69 -0.03 1.43 0.01 -1.26 -2.01 114.94 123.78 3jwd s ASN 1137Ca 0.41 2.55 0.02 0.00 -0.71 0.00 0.00 52.86 55.13 3jwd s ASN 1137Cb -0.02 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.01 3jwd s ASN 1137CO -0.06 -0.58 -0.09 0.27 -1.51 0.00 0.00 177.10 175.13 3jwd s ILE 1138N -1.23 0.79 0.69 0.60 -4.36 -0.10 -4.96 121.20 112.64 3jwd s ILE 1138Ca 0.52 -0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 60.44 3jwd s ILE 1138Cb -0.36 -0.71 0.01 0.00 1.25 0.00 0.00 42.46 42.65 3jwd s ILE 1138CO 0.47 0.25 1.07 -1.58 0.24 0.00 0.00 174.94 175.39 3jwd s GLN 1139N 0.21 2.85 -0.29 0.37 2.00 -1.26 -2.34 119.66 121.20 3jwd s GLN 1139Ca -0.03 0.38 -0.35 0.00 -2.00 0.00 0.00 55.36 53.35 3jwd s GLN 1139Cb -0.09 -2.06 0.17 0.00 0.80 0.00 0.00 33.01 31.83 3jwd s GLN 1139CO 0.01 -0.99 1.38 0.20 -0.50 0.00 0.00 175.29 175.38 3jwd s GLY 1140N -4.36 -0.09 0.00 2.59 0.00 -1.11 -4.92 107.32 99.44 3jwd s GLY 1140Ca 0.58 2.27 0.00 0.00 0.00 0.00 0.00 44.72 47.57 3jwd s GLY 1140CO 0.51 0.82 0.00 0.61 0.00 0.00 0.00 173.10 175.03 3jwd n GLY 1141N 0.19 0.24 0.11 0.20 0.00 -1.26 -2.94 105.19 101.73 3jwd n GLY 1141Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.22 -5.94 1.61 1.63 -1.92 -3.40 116.57 108.78 3jwd h LYS 1142Ca 0.00 -0.12 -0.55 0.00 -0.85 0.00 0.00 60.65 59.13 3jwd h LYS 1142Cb 0.00 0.01 -0.25 0.00 -0.60 0.00 0.00 32.23 31.39 3jwd h LYS 1142CO 0.00 0.67 -0.83 0.95 -3.45 0.00 0.00 179.45 176.79 3jwd s THR 1143N -4.22 1.56 -0.16 1.00 -4.23 -1.26 -0.66 115.64 107.67 3jwd s THR 1143Ca -0.15 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 3jwd s THR 1143Cb 0.04 -1.38 0.01 0.00 1.34 0.00 0.00 72.50 72.51 3jwd s THR 1143CO 0.73 0.11 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.95 3jwd s LEU 1144N -1.32 2.19 0.15 4.79 1.02 0.94 -4.87 118.68 121.58 3jwd s LEU 1144Ca 0.06 -0.60 0.07 0.00 0.02 0.00 0.00 54.13 53.68 3jwd s LEU 1144Cb -0.09 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 3jwd s LEU 1144CO 0.02 0.05 -0.04 -0.44 0.02 0.00 0.00 176.35 175.97 3jwd s SER 1145N 0.99 4.64 -0.19 2.29 0.01 -1.26 -0.46 113.70 119.72 3jwd s SER 1145Ca -0.02 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 56.80 3jwd s SER 1145Cb -0.15 -0.95 0.06 0.00 0.21 0.00 0.00 66.02 65.19 3jwd s SER 1145CO -0.05 0.12 0.05 -0.69 0.41 0.00 0.00 173.24 173.07 3jwd s VAL 1146N -1.58 0.38 0.09 3.43 1.01 0.13 -4.98 120.40 118.87 3jwd s VAL 1146Ca 0.26 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 3jwd s VAL 1146Cb -0.10 -0.93 -0.14 0.00 0.00 0.00 0.00 36.38 35.22 3jwd s VAL 1146CO 0.17 -0.24 1.61 0.28 0.00 0.00 0.00 175.10 176.92 3jwd h SER 1147N 8.29 -0.95 -3.25 3.32 0.02 -1.87 -0.17 113.55 118.93 3jwd h SER 1147Ca -0.16 0.08 -0.47 0.00 -0.84 0.00 0.00 61.79 60.40 3jwd h SER 1147Cb 1.13 0.32 -0.39 0.00 0.14 0.00 0.00 62.40 63.60 3jwd h SER 1147CO 0.33 -0.50 -0.77 -1.10 -1.14 0.00 0.00 176.83 173.64 3jwd s GLN 1148N -6.00 0.69 0.98 3.45 -0.21 -1.25 -3.42 119.66 113.90 3jwd s GLN 1148Ca -0.17 -0.11 -0.12 0.00 0.02 0.00 0.00 55.36 54.99 3jwd s GLN 1148Cb 0.06 -1.43 0.17 0.00 1.00 0.00 0.00 33.01 32.81 3jwd s GLN 1148CO 0.63 -0.42 1.08 -0.51 -2.12 0.00 0.00 175.29 173.95 3jwd s LEU 1149N 1.91 1.85 0.33 2.90 1.02 0.25 -4.96 118.68 121.98 3jwd s LEU 1149Ca 0.03 1.44 0.05 0.00 0.02 0.00 0.00 54.13 55.67 3jwd s LEU 1149Cb -0.14 -3.70 -0.07 0.00 0.02 0.00 0.00 46.19 42.30 3jwd s LEU 1149CO -0.06 -3.09 0.03 -1.61 0.02 0.00 0.00 176.35 171.64 3jwd s GLU 1150N -4.84 1.68 0.47 1.70 2.02 -1.26 -4.56 118.70 113.91 3jwd s GLU 1150Ca 0.65 -1.92 0.12 0.00 0.02 0.00 0.00 54.97 53.84 3jwd s GLU 1150Cb -0.20 -1.02 1.07 0.00 0.10 0.00 0.00 34.13 34.09 3jwd s GLU 1150CO 0.58 -0.14 2.09 1.25 0.02 0.00 0.00 175.26 179.07 3jwd h LEU 1151N 2.09 0.18 -0.57 1.80 5.85 -1.95 -2.13 115.31 120.56 3jwd h LEU 1151Ca -0.41 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.20 3jwd h LEU 1151Cb 1.24 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3jwd h LEU 1151CO 0.71 0.16 -0.47 1.56 -0.34 0.00 0.00 178.44 180.06 3jwd h GLN 1152N 0.20 0.00 0.00 1.25 7.50 -2.03 -3.12 115.11 118.91 3jwd h GLN 1152Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 3jwd h GLN 1152Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.56 3jwd h GLN 1152CO -0.01 0.47 0.00 -0.25 -1.50 0.00 0.00 178.83 177.54 3jwd n ASP 1153N -3.43 0.00 -4.66 1.46 8.00 -0.80 -4.59 116.55 112.53 3jwd n ASP 1153Ca 0.00 0.03 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 3jwd n ASP 1153Cb 0.61 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.51 6.96 0.00 -2.24 0.15 -1.18 -4.69 113.70 110.19 3jwd s SER 1154Ca 0.14 1.66 0.00 0.00 0.70 0.00 0.00 55.95 58.45 3jwd s SER 1154Cb 0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3jwd s SER 1154CO 0.21 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.50 3jwd n GLY 1155N 3.59 -0.32 3.20 9.45 0.00 -0.92 -4.96 105.19 115.23 3jwd n GLY 1155Ca 0.14 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.38 3.38 -0.06 2.61 2.01 -1.26 -0.38 115.64 118.56 3jwd s THR 1156Ca 0.00 -1.45 -0.20 0.00 0.31 0.00 0.00 61.69 60.34 3jwd s THR 1156Cb 0.00 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 3jwd s THR 1156CO 0.00 -0.28 0.58 0.26 -0.69 0.00 0.00 174.62 174.49 3jwd s TRP 1157N 1.29 3.60 -0.28 4.92 0.52 0.03 -4.26 118.94 124.75 3jwd s TRP 1157Ca -0.01 1.11 -0.07 0.00 0.02 0.00 0.00 56.10 57.15 3jwd s TRP 1157Cb -0.21 -2.63 0.00 0.00 -1.15 0.00 0.00 33.47 29.48 3jwd s TRP 1157CO -0.00 0.23 0.07 0.95 0.02 0.00 0.00 176.95 178.21 3jwd s THR 1158N 0.30 3.94 -0.31 2.01 -4.23 -1.13 -1.00 115.64 115.23 3jwd s THR 1158Ca 0.31 -0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 60.13 3jwd s THR 1158Cb -0.17 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.69 3jwd s THR 1158CO 0.15 0.15 0.11 0.00 -0.54 0.00 0.00 174.62 174.49 3jwd s THR 1160N 1.54 4.27 -0.02 0.00 2.01 -0.85 -0.27 115.64 122.32 3jwd s THR 1160Ca 0.03 -0.23 -0.22 0.00 0.31 0.00 0.00 61.69 61.59 3jwd s THR 1160Cb -0.17 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 3jwd s THR 1160CO 0.04 0.31 0.64 -0.69 -0.69 0.00 0.00 174.62 174.24 3jwd s VAL 1161N 1.60 4.93 -0.23 3.82 1.01 0.40 -2.59 120.40 129.35 3jwd s VAL 1161Ca 0.06 1.34 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 3jwd s VAL 1161Cb -0.15 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.25 3jwd s VAL 1161CO 0.03 0.36 -0.06 -0.22 0.00 0.00 0.00 175.10 175.22 3jwd s LEU 1162N 0.15 3.01 -0.12 3.92 0.20 -0.81 -1.47 118.68 123.56 3jwd s LEU 1162Ca 0.34 -0.63 -0.08 0.00 0.69 0.00 0.00 54.13 54.45 3jwd s LEU 1162Cb -0.18 -1.69 0.04 0.00 -0.43 0.00 0.00 46.19 43.93 3jwd s LEU 1162CO 0.18 -0.08 0.30 -1.58 -0.29 0.00 0.00 176.35 174.88 3jwd s GLN 1163N 1.40 0.29 -1.36 1.98 2.00 -0.47 -2.09 119.66 121.41 3jwd s GLN 1163Ca 0.03 0.55 -0.07 0.00 -2.00 0.00 0.00 55.36 53.87 3jwd s GLN 1163Cb -0.15 -0.01 0.00 0.00 0.80 0.00 0.00 33.01 33.65 3jwd s GLN 1163CO -0.04 -0.13 0.45 0.09 -0.50 0.00 0.00 175.29 175.16 3jwd n ASN 1164N 3.85 -1.37 0.00 6.67 3.02 -1.26 -2.28 115.26 123.89 3jwd n ASN 1164Ca -0.21 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 3jwd n ASN 1164Cb 0.55 -2.80 0.00 0.00 -0.61 0.00 0.00 39.78 36.92 3jwd n ASN 1164CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwd n GLN 1165N -4.45 0.00 -4.49 3.52 1.13 -1.26 -4.94 117.38 106.90 3jwd n GLN 1165Ca -0.26 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.51 3jwd n GLN 1165Cb 0.66 -0.84 -0.07 0.00 0.11 0.00 0.00 30.24 30.10 3jwd n GLN 1165CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3jwd s LYS 1166N 0.00 2.17 0.10 -1.09 2.36 -0.97 -5.14 119.74 117.16 3jwd s LYS 1166Ca 0.00 -2.20 0.02 0.00 -2.55 0.00 0.00 55.97 51.24 3jwd s LYS 1166Cb 0.00 -1.72 -0.04 0.00 -1.05 0.00 0.00 37.83 35.02 3jwd s LYS 1166CO 0.00 -0.31 -0.07 -1.59 1.55 0.00 0.00 175.35 174.93 3jwd s LYS 1167N -3.92 0.83 -0.02 4.03 -2.85 -1.26 -1.37 119.74 115.18 3jwd s LYS 1167Ca 0.21 -1.32 0.04 0.00 -1.00 0.00 0.00 55.97 53.90 3jwd s LYS 1167Cb 0.03 -0.23 -0.01 0.00 -2.06 0.00 0.00 37.83 35.56 3jwd s LYS 1167CO 0.12 -0.01 -0.13 0.54 0.10 0.00 0.00 175.35 175.96 3jwd s VAL 1168N -3.52 1.10 -0.17 1.79 0.11 -0.54 -4.96 120.40 114.21 3jwd s VAL 1168Ca 0.11 -0.57 -0.03 0.00 -2.93 0.00 0.00 61.98 58.56 3jwd s VAL 1168Cb 0.05 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 3jwd s VAL 1168CO -0.04 0.32 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.29 3jwd s GLU 1169N -0.13 3.56 -0.05 1.54 2.12 -1.26 -0.45 118.70 124.04 3jwd s GLU 1169Ca 0.01 -0.57 -0.00 0.00 0.36 0.00 0.00 54.97 54.77 3jwd s GLU 1169Cb -0.07 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 3jwd s GLU 1169CO 0.00 0.14 -0.00 -0.06 -0.54 0.00 0.00 175.26 174.80 3jwd s PHE 1170N 0.61 3.11 -0.10 5.30 0.08 0.63 -4.98 117.98 122.64 3jwd s PHE 1170Ca -0.03 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.18 3jwd s PHE 1170Cb -0.15 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 3jwd s PHE 1170CO 0.03 0.46 -0.21 0.15 -0.10 0.00 0.00 175.22 175.54 3jwd s LYS 1171N -1.19 3.02 -0.10 0.44 1.02 -1.26 -0.81 119.74 120.85 3jwd s LYS 1171Ca 0.16 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 3jwd s LYS 1171Cb -0.11 -2.37 0.03 0.00 -0.52 0.00 0.00 37.83 34.86 3jwd s LYS 1171CO 0.06 0.25 -0.03 0.42 -0.92 0.00 0.00 175.35 175.13 3jwd s ILE 1172N 0.19 0.71 -0.37 2.17 1.01 -0.17 -5.00 121.20 119.74 3jwd s ILE 1172Ca -0.12 -0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 3jwd s ILE 1172Cb -0.16 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.49 3jwd s ILE 1172CO 0.07 0.27 1.01 -0.62 0.00 0.00 0.00 174.94 175.66 3jwd s ASP 1173N 1.83 6.75 -0.24 3.58 2.15 -1.26 -0.79 116.67 128.69 3jwd s ASP 1173Ca 0.04 0.71 -0.12 0.00 0.43 0.00 0.00 52.55 53.61 3jwd s ASP 1173Cb -0.13 -2.50 -0.05 0.00 -0.30 0.00 0.00 42.92 39.94 3jwd s ASP 1173CO -0.07 -0.93 0.24 -0.63 -0.17 0.00 0.00 175.17 173.61 3jwd s ILE 1174N 3.69 5.30 -0.25 4.11 -1.09 0.49 -4.98 121.20 128.46 3jwd s ILE 1174Ca 0.42 0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 59.09 3jwd s ILE 1174Cb -0.11 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 3jwd s ILE 1174CO 0.20 0.29 0.12 -0.69 -1.23 0.00 0.00 174.94 173.63 3jwd s VAL 1175N 1.32 4.80 -0.32 2.92 1.01 -1.26 -2.16 120.40 126.71 3jwd s VAL 1175Ca 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 3jwd s VAL 1175Cb -0.14 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3jwd s VAL 1175CO 0.07 0.32 0.52 0.54 0.00 0.00 0.00 175.10 176.55 3jwd s VAL 1176N 1.47 5.02 -0.05 2.92 0.11 -1.26 -4.94 120.40 123.68 3jwd s VAL 1176Ca 0.06 0.53 0.10 0.00 -2.93 0.00 0.00 61.98 59.74 3jwd s VAL 1176Cb -0.15 -3.93 -0.23 0.00 -1.53 0.00 0.00 36.38 30.54 3jwd s VAL 1176CO 0.06 -0.13 0.65 -0.07 -3.33 0.00 0.00 175.10 172.28 3jwd h LEU 1177N 9.02 0.06 -7.11 2.54 4.07 -1.97 -3.48 115.31 118.43 3jwd h LEU 1177Ca -0.28 -0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.50 3jwd h LEU 1177Cb 1.13 -0.02 -0.23 0.00 1.08 0.00 0.00 40.66 42.62 3jwd h LEU 1177CO 0.76 1.11 -0.08 0.00 -1.08 0.00 0.00 178.44 179.14 3jwd s ALA 1178N -2.60 -1.49 0.02 1.53 0.00 -1.26 -5.08 121.76 112.89 3jwd s ALA 1178Ca -0.07 1.89 0.03 0.00 0.00 0.00 0.00 51.96 53.81 3jwd s ALA 1178Cb 0.08 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 3jwd s ALA 1178CO 0.82 -0.31 -0.08 -0.59 0.00 0.00 0.00 175.76 175.60 3jwd s PHE 1179N 1.07 0.72 0.49 0.00 -0.71 -1.26 -3.40 117.98 114.89 3jwd s PHE 1179Ca -0.06 -0.31 -0.20 0.00 -1.04 0.00 0.00 56.93 55.32 3jwd s PHE 1179Cb -0.06 -0.44 -0.09 0.00 -1.21 0.00 0.00 43.02 41.23 3jwd s PHE 1179CO -0.10 -0.03 1.01 -0.65 -1.34 0.00 0.00 175.22 174.11 3jwd s GLN 1180N -0.93 3.88 -0.18 1.99 -0.21 -1.26 -5.04 119.66 117.91 3jwd s GLN 1180Ca -0.03 1.23 -0.11 0.00 0.02 0.00 0.00 55.36 56.47 3jwd s GLN 1180Cb -0.07 -2.12 0.06 0.00 1.00 0.00 0.00 33.01 31.89 3jwd s GLN 1180CO 0.00 -0.35 0.45 0.21 -2.12 0.00 0.00 175.29 173.49 3jwd s LYS 1181N -3.41 0.45 0.11 2.91 2.20 -1.26 -5.02 119.74 115.72 3jwd s LYS 1181Ca 0.64 0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 56.77 3jwd s LYS 1181Cb -0.13 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.12 3jwd s LYS 1181CO 0.21 -0.15 1.70 0.00 -0.36 0.00 0.00 175.35 176.75 3jwd s ALA 1182N 1.28 3.74 -2.60 3.13 0.00 -1.26 -5.29 121.76 120.76 3jwd s ALA 1182Ca -0.08 1.33 0.27 0.00 0.00 0.00 0.00 51.96 53.48 3jwd s ALA 1182Cb -0.07 -3.70 0.88 0.00 0.00 0.00 0.00 23.12 20.22 3jwd s ALA 1182CO -0.12 -1.08 1.65 -1.13 0.00 0.00 0.00 175.76 175.08