#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwo s LYS 1001N 0.00 1.20 -0.10 3.17 2.20 -1.26 -5.10 119.74 119.85 3jwo s LYS 1001Ca 0.00 -1.25 -0.29 0.00 -0.36 0.00 0.00 55.97 54.06 3jwo s LYS 1001Cb 0.00 -1.43 -0.05 0.00 -1.51 0.00 0.00 37.83 34.84 3jwo s LYS 1001CO 0.00 0.32 1.63 0.21 -0.36 0.00 0.00 175.35 177.15 3jwo s LYS 1002N -2.17 4.08 -0.10 4.03 2.20 -1.26 -4.87 119.74 121.66 3jwo s LYS 1002Ca 0.10 2.03 -0.01 0.00 -0.36 0.00 0.00 55.97 57.73 3jwo s LYS 1002Cb -0.09 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 3jwo s LYS 1002CO 0.05 -0.96 -0.06 0.08 -0.36 0.00 0.00 175.35 174.10 3jwo s VAL 1003N 4.34 3.77 -0.10 4.02 1.01 -1.26 -0.29 120.40 131.89 3jwo s VAL 1003Ca 0.72 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 3jwo s VAL 1003Cb -0.31 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.53 3jwo s VAL 1003CO 0.28 0.57 -0.05 -0.69 0.00 0.00 0.00 175.10 175.21 3jwo s VAL 1004N -0.45 0.81 -0.00 2.92 1.01 0.53 -4.94 120.40 120.27 3jwo s VAL 1004Ca 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 3jwo s VAL 1004Cb -0.12 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3jwo s VAL 1004CO 0.02 0.33 0.35 -0.76 0.00 0.00 0.00 175.10 175.04 3jwo s LEU 1005N 1.77 4.43 0.05 3.92 1.43 -1.26 -1.88 118.68 127.14 3jwo s LEU 1005Ca 0.05 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 3jwo s LEU 1005Cb -0.12 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 3jwo s LEU 1005CO -0.07 0.30 -0.05 -0.83 0.23 0.00 0.00 176.35 175.94 3jwo s GLY 1006N -1.25 0.48 -0.09 -3.19 0.00 0.42 -4.95 107.32 98.74 3jwo s GLY 1006Ca 0.24 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.84 3jwo s GLY 1006CO 0.13 -1.09 0.29 0.54 0.00 0.00 0.00 173.10 172.97 3jwo s LYS 1007N -2.86 3.92 0.13 2.90 1.02 -1.26 -1.67 119.74 121.93 3jwo s LYS 1007Ca -0.01 0.14 -0.34 0.00 0.02 0.00 0.00 55.97 55.79 3jwo s LYS 1007Cb -0.00 -3.29 -0.14 0.00 -0.52 0.00 0.00 37.83 33.88 3jwo s LYS 1007CO -0.05 0.54 1.62 1.17 -0.92 0.00 0.00 175.35 177.71 3jwo n LYS 1008N 2.55 2.16 0.00 1.68 4.81 0.19 -0.85 118.16 128.70 3jwo n LYS 1008Ca -0.15 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 3jwo n LYS 1008Cb 0.53 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.02 3jwo n LYS 1008CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3jwo n GLY 1009N 3.54 3.30 3.92 3.14 0.00 -0.56 -4.92 105.19 113.60 3jwo n GLY 1009Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3jwo n GLY 1009CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jwo s ASP 1010N -0.91 3.67 -0.02 1.61 1.11 -0.03 -3.97 116.67 118.12 3jwo s ASP 1010Ca 0.00 0.46 0.03 0.00 0.18 0.00 0.00 52.55 53.22 3jwo s ASP 1010Cb 0.00 -0.68 -0.03 0.00 1.07 0.00 0.00 42.92 43.28 3jwo s ASP 1010CO 0.00 -2.40 -0.11 -0.89 1.18 0.00 0.00 175.17 172.95 3jwo s THR 1011N -3.76 3.33 -0.01 -1.27 2.01 -1.26 -1.18 115.64 113.50 3jwo s THR 1011Ca 0.69 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.97 3jwo s THR 1011Cb -0.07 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 3jwo s THR 1011CO 0.51 0.49 -0.13 0.54 -0.69 0.00 0.00 174.62 175.35 3jwo s VAL 1012N -0.86 1.02 -0.30 3.82 0.11 -0.30 -4.99 120.40 118.90 3jwo s VAL 1012Ca 0.14 -0.55 -0.03 0.00 -2.93 0.00 0.00 61.98 58.62 3jwo s VAL 1012Cb -0.11 -0.86 0.05 0.00 -1.53 0.00 0.00 36.38 33.93 3jwo s VAL 1012CO 0.04 0.29 0.01 -0.70 -3.33 0.00 0.00 175.10 171.41 3jwo s GLU 1013N -0.24 2.48 -0.17 1.54 2.12 -1.26 -1.21 118.70 121.96 3jwo s GLU 1013Ca 0.04 -1.24 -0.20 0.00 0.36 0.00 0.00 54.97 53.93 3jwo s GLU 1013Cb -0.06 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 3jwo s GLU 1013CO -0.00 -0.62 0.56 -0.51 -0.54 0.00 0.00 175.26 174.15 3jwo s LEU 1014N 1.28 4.18 0.34 2.70 1.43 -0.76 -4.93 118.68 122.93 3jwo s LEU 1014Ca -0.05 0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 3jwo s LEU 1014Cb -0.20 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 3jwo s LEU 1014CO -0.00 -0.17 0.59 0.42 0.23 0.00 0.00 176.35 177.42 3jwo s THR 1015N 1.47 5.03 -0.22 5.49 -4.23 -1.26 -0.40 115.64 121.52 3jwo s THR 1015Ca 0.27 -0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 3jwo s THR 1015Cb -0.16 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 69.96 3jwo s THR 1015CO 0.11 -0.50 0.52 0.00 -0.54 0.00 0.00 174.62 174.21 3jwo s THR 1017N 1.92 0.39 0.68 0.00 2.01 -1.26 -1.13 115.64 118.26 3jwo s THR 1017Ca -0.08 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.81 3jwo s THR 1017Cb -0.09 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 71.97 3jwo s THR 1017CO -0.16 0.21 1.05 0.00 -0.69 0.00 0.00 174.62 175.03 3jwo s ALA 1018N 1.14 2.99 0.29 7.40 0.00 -0.68 -4.98 121.76 127.92 3jwo s ALA 1018Ca -0.08 -0.45 0.19 0.00 0.00 0.00 0.00 51.96 51.63 3jwo s ALA 1018Cb -0.14 -2.91 0.90 0.00 0.00 0.00 0.00 23.12 20.97 3jwo s ALA 1018CO -0.01 -1.07 1.85 0.66 0.00 0.00 0.00 175.76 177.18 3jwo h SER 1019N -0.55 0.00 -4.35 0.00 4.64 -1.97 -3.44 113.55 107.88 3jwo h SER 1019Ca -0.45 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.40 3jwo h SER 1019Cb 1.26 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.13 3jwo h SER 1019CO 0.63 0.30 -0.80 0.00 -0.87 0.00 0.00 176.83 176.10 3jwo s GLN 1020N -3.92 0.94 -1.33 4.77 0.00 -1.26 -5.07 119.66 113.79 3jwo s GLN 1020Ca -0.01 -1.04 -0.17 0.00 -0.00 0.00 0.00 55.36 54.13 3jwo s GLN 1020Cb 0.12 -1.05 0.06 0.00 0.00 0.00 0.00 33.01 32.13 3jwo s GLN 1020CO 0.67 0.24 1.87 1.63 0.00 0.00 0.00 175.29 179.69 3jwo n LYS 1021N 1.19 3.05 -3.53 9.60 5.02 -1.26 -4.44 118.16 127.78 3jwo n LYS 1021Ca -0.20 -3.07 -0.17 0.00 -2.02 0.00 0.00 58.31 52.84 3jwo n LYS 1021Cb 0.54 -3.45 -0.06 0.00 -0.02 0.00 0.00 35.03 32.04 3jwo n LYS 1021CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3jwo s LYS 1022N 4.06 1.04 -0.06 1.97 -2.85 -1.22 -4.54 119.74 118.14 3jwo s LYS 1022Ca 0.53 0.19 -0.30 0.00 -1.00 0.00 0.00 55.97 55.39 3jwo s LYS 1022Cb 0.06 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.27 3jwo s LYS 1022CO 0.04 -0.33 1.62 0.45 0.10 0.00 0.00 175.35 177.23 3jwo s SER 1023N -1.28 6.69 0.06 0.03 0.15 -1.03 -4.19 113.70 114.13 3jwo s SER 1023Ca -0.11 2.20 0.01 0.00 0.70 0.00 0.00 55.95 58.75 3jwo s SER 1023Cb -0.00 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 3jwo s SER 1023CO 0.08 -0.91 -0.06 0.27 1.20 0.00 0.00 173.24 173.83 3jwo s ILE 1024N 3.95 0.47 -0.38 6.45 -4.36 -1.26 -5.04 121.20 121.02 3jwo s ILE 1024Ca 0.72 -1.51 -0.32 0.00 -0.26 0.00 0.00 60.65 59.28 3jwo s ILE 1024Cb -0.32 -1.13 -0.10 0.00 1.25 0.00 0.00 42.46 42.16 3jwo s ILE 1024CO 0.28 -0.70 2.26 0.00 0.24 0.00 0.00 174.94 177.02 3jwo n GLN 1025N 0.67 1.20 -4.28 0.37 1.13 -1.26 -4.95 117.38 110.25 3jwo n GLN 1025Ca -0.17 0.29 -0.26 0.00 -1.94 0.00 0.00 57.00 54.91 3jwo n GLN 1025Cb 0.58 -2.69 -0.08 0.00 0.11 0.00 0.00 30.24 28.16 3jwo n GLN 1025CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3jwo s PHE 1026N 8.25 2.46 -0.29 1.08 -0.12 -1.26 -4.23 117.98 123.88 3jwo s PHE 1026Ca 1.08 -0.65 -0.15 0.00 -0.05 0.00 0.00 56.93 57.15 3jwo s PHE 1026Cb -0.69 -1.89 0.14 0.00 -0.63 0.00 0.00 43.02 39.96 3jwo s PHE 1026CO 0.43 0.21 0.92 -1.58 -0.05 0.00 0.00 175.22 175.15 3jwo s HIS 1027N -2.66 -0.70 -0.21 3.49 2.46 -0.73 -3.28 115.29 113.66 3jwo s HIS 1027Ca 0.36 1.35 -0.13 0.00 0.47 0.00 0.00 55.06 57.12 3jwo s HIS 1027Cb 0.05 0.42 -0.05 0.00 -0.13 0.00 0.00 32.58 32.87 3jwo s HIS 1027CO 0.20 -0.35 0.25 -1.58 -2.47 0.00 0.00 174.74 170.79 3jwo s TRP 1028N 1.68 3.36 0.37 3.88 0.52 0.62 -0.92 118.94 128.45 3jwo s TRP 1028Ca -0.08 0.41 0.04 0.00 0.02 0.00 0.00 56.10 56.48 3jwo s TRP 1028Cb -0.05 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.88 3jwo s TRP 1028CO -0.16 0.08 0.08 0.15 0.02 0.00 0.00 176.95 177.12 3jwo s LYS 1029N 1.00 1.80 0.00 4.98 1.02 -0.35 -1.50 119.74 126.69 3jwo s LYS 1029Ca 0.12 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 54.06 3jwo s LYS 1029Cb -0.14 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 3jwo s LYS 1029CO 0.05 -0.32 0.00 0.27 -0.92 0.00 0.00 175.35 174.43 3jwo n ASN 1030N -0.97 0.00 0.02 2.83 0.23 -1.20 -0.45 115.26 115.71 3jwo n ASN 1030Ca -0.05 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.11 3jwo n ASN 1030Cb 0.66 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.33 3jwo n ASN 1030CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3jwo n SER 1031N 0.00 0.58 -1.31 0.53 3.41 -0.90 -3.56 113.62 112.36 3jwo n SER 1031Ca 0.00 -0.27 0.06 0.00 -0.26 0.00 0.00 58.87 58.41 3jwo n SER 1031Cb 0.00 1.00 0.27 0.00 -0.26 0.00 0.00 64.21 65.22 3jwo n SER 1031CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3jwo n ASN 1032N -1.97 3.83 -4.00 4.04 4.13 -1.26 -4.92 115.26 115.12 3jwo n ASN 1032Ca 0.01 -2.42 -0.32 0.00 1.68 0.00 0.00 54.58 53.53 3jwo n ASN 1032Cb 0.45 -0.53 0.01 0.00 -1.54 0.00 0.00 39.78 38.17 3jwo n ASN 1032CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3jwo n GLN 1033N 0.67 -4.96 -3.42 3.52 1.13 -1.23 -4.94 117.38 108.15 3jwo n GLN 1033Ca 0.19 0.54 -0.38 0.00 -1.94 0.00 0.00 57.00 55.41 3jwo n GLN 1033Cb 0.76 -5.40 -0.08 0.00 0.11 0.00 0.00 30.24 25.62 3jwo n GLN 1033CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3jwo s ILE 1034N -3.29 5.20 -0.02 5.09 1.01 -1.26 -4.89 121.20 123.05 3jwo s ILE 1034Ca 0.69 0.58 -0.35 0.00 0.00 0.00 0.00 60.65 61.58 3jwo s ILE 1034Cb -0.36 -3.69 -0.13 0.00 0.01 0.00 0.00 42.46 38.30 3jwo s ILE 1034CO 0.86 0.22 1.74 0.29 0.00 0.00 0.00 174.94 178.04 3jwo n LYS 1035N 4.87 2.02 -0.07 2.79 5.02 -1.26 -3.27 118.16 128.26 3jwo n LYS 1035Ca -0.09 0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 56.81 3jwo n LYS 1035Cb 0.51 -2.53 -0.04 0.00 -0.02 0.00 0.00 35.03 32.94 3jwo n LYS 1035CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3jwo n ILE 1036N 4.40 1.29 -3.64 -0.18 5.41 -0.56 -3.09 119.36 122.98 3jwo n ILE 1036Ca 0.21 -0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.92 3jwo n ILE 1036Cb 0.27 -1.98 -0.07 0.00 -0.71 0.00 0.00 39.64 37.15 3jwo n ILE 1036CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3jwo s LEU 1037N -7.42 -0.45 0.00 1.39 0.20 -1.12 -0.61 118.68 110.68 3jwo s LEU 1037Ca -0.24 0.76 -0.07 0.00 0.69 0.00 0.00 54.13 55.26 3jwo s LEU 1037Cb 0.06 1.72 0.03 0.00 -0.43 0.00 0.00 46.19 47.57 3jwo s LEU 1037CO 0.33 -0.12 0.39 0.61 -0.29 0.00 0.00 176.35 177.27 3jwo n GLY 1038N 3.14 1.59 3.57 7.98 0.00 -0.16 -0.27 105.19 121.04 3jwo n GLY 1038Ca -0.16 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 3jwo n GLY 1038CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwo s ASN 1039N -2.07 4.00 -0.44 1.61 4.22 -1.20 0.04 114.94 121.09 3jwo s ASN 1039Ca 0.09 -0.98 0.07 0.00 -2.14 0.00 0.00 52.86 49.89 3jwo s ASN 1039Cb -0.02 -0.49 0.23 0.00 1.28 0.00 0.00 41.25 42.25 3jwo s ASN 1039CO 0.07 -0.12 0.51 0.00 -2.04 0.00 0.00 177.10 175.52 3jwo n GLN 1040N -0.82 0.89 0.00 3.55 1.13 0.12 -4.69 117.38 117.56 3jwo n GLN 1040Ca -0.05 -3.46 0.00 0.00 -1.94 0.00 0.00 57.00 51.55 3jwo n GLN 1040Cb 0.61 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.47 3jwo n GLN 1040CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jwo n GLY 1041N 1.65 1.27 0.25 1.08 0.00 -1.26 -3.48 105.19 104.71 3jwo n GLY 1041Ca 0.24 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.67 3jwo n GLY 1041CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jwo n SER 1042N 3.56 2.43 -4.75 1.61 3.41 -1.26 -4.94 113.62 113.69 3jwo n SER 1042Ca 0.00 -2.20 -0.34 0.00 -0.26 0.00 0.00 58.87 56.07 3jwo n SER 1042Cb 0.00 -0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 3jwo n SER 1042CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3jwo s PHE 1043N -1.34 3.26 0.25 7.33 2.99 -1.23 -5.10 117.98 124.14 3jwo s PHE 1043Ca 0.13 0.24 -0.08 0.00 0.00 0.00 0.00 56.93 57.23 3jwo s PHE 1043Cb 0.09 -1.79 -0.06 0.00 0.00 0.00 0.00 43.02 41.26 3jwo s PHE 1043CO 0.05 0.54 0.54 -1.17 -0.00 0.00 0.00 175.22 175.19 3jwo s LEU 1044N -1.24 4.13 0.01 -0.37 2.96 -1.26 0.12 118.68 123.03 3jwo s LEU 1044Ca 0.17 0.83 -0.00 0.00 -0.22 0.00 0.00 54.13 54.91 3jwo s LEU 1044Cb -0.12 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 3jwo s LEU 1044CO 0.07 -0.11 -0.01 0.42 -1.32 0.00 0.00 176.35 175.40 3jwo s THR 1045N -1.91 0.04 -0.04 3.68 -4.23 0.11 -4.86 115.64 108.43 3jwo s THR 1045Ca 0.46 -0.33 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 3jwo s THR 1045Cb -0.11 -0.10 -0.02 0.00 1.34 0.00 0.00 72.50 73.60 3jwo s THR 1045CO 0.25 -0.18 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.39 3jwo s LYS 1046N -0.53 2.34 0.82 3.99 1.02 -1.26 -0.99 119.74 125.13 3jwo s LYS 1046Ca -0.06 -0.84 -0.07 0.00 0.02 0.00 0.00 55.97 55.03 3jwo s LYS 1046Cb -0.04 -2.19 0.16 0.00 -0.52 0.00 0.00 37.83 35.24 3jwo s LYS 1046CO -0.00 0.55 1.13 0.20 -0.92 0.00 0.00 175.35 176.30 3jwo s GLY 1047N -0.57 1.77 0.00 -3.33 0.00 0.22 -4.92 107.32 100.50 3jwo s GLY 1047Ca 0.08 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3jwo s GLY 1047CO 0.00 -0.87 0.48 -1.05 0.00 0.00 0.00 173.10 171.66 3jwo n PRO 1048N -3.21 0.89 -1.38 2.90 -0.02 -1.18 -4.75 135.00 128.25 3jwo n PRO 1048Ca 0.15 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.33 3jwo n PRO 1048Cb 0.60 -1.41 0.23 0.00 -0.02 0.00 0.00 33.50 32.90 3jwo n PRO 1048CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jwo s SER 1049N -0.03 1.41 0.04 2.55 1.04 -1.23 -4.98 113.70 112.50 3jwo s SER 1049Ca 0.00 0.40 0.24 0.00 0.48 0.00 0.00 55.95 57.07 3jwo s SER 1049Cb 0.00 -0.49 0.32 0.00 0.10 0.00 0.00 66.02 65.95 3jwo s SER 1049CO 0.00 -3.80 1.27 0.29 0.98 0.00 0.00 173.24 171.99 3jwo n LYS 1050N -4.50 0.13 -0.09 4.02 5.02 -1.26 -3.52 118.16 117.97 3jwo n LYS 1050Ca 0.15 0.02 0.07 0.00 -2.02 0.00 0.00 58.31 56.53 3jwo n LYS 1050Cb 0.60 -1.56 0.26 0.00 -0.02 0.00 0.00 35.03 34.30 3jwo n LYS 1050CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3jwo n LEU 1051N -1.75 1.16 -0.10 -0.35 4.32 -1.26 -4.62 117.00 114.40 3jwo n LEU 1051Ca 0.04 -0.54 -0.11 0.00 -0.02 0.00 0.00 56.01 55.39 3jwo n LEU 1051Cb 0.38 -0.11 -0.08 0.00 -1.62 0.00 0.00 43.42 41.99 3jwo n LEU 1051CO 0.37 0.27 0.50 -1.13 -1.22 0.00 0.00 177.39 176.18 3jwo h ASN 1052N 1.39 -1.41 0.79 -1.43 -0.73 -1.85 0.48 115.58 112.82 3jwo h ASN 1052Ca 0.00 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.35 3jwo h ASN 1052Cb 0.31 0.57 0.00 0.00 0.27 0.00 0.00 38.32 39.47 3jwo h ASN 1052CO 0.00 -0.31 0.00 -2.24 -0.37 0.00 0.00 177.43 174.51 3jwo h ASP 1053N -0.31 0.00 0.00 1.15 3.04 -1.90 -3.20 116.42 115.21 3jwo h ASP 1053Ca 0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 3jwo h ASP 1053Cb 0.45 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.74 3jwo h ASP 1053CO -0.44 0.00 -0.89 0.54 -2.04 0.00 0.00 179.24 176.41 3jwo n ARG 1054N -2.43 2.18 -3.83 4.15 1.74 -0.44 -4.95 116.66 113.08 3jwo n ARG 1054Ca 0.02 -0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.69 3jwo n ARG 1054Cb 0.24 -1.14 -0.06 0.00 -1.02 0.00 0.00 32.46 30.48 3jwo n ARG 1054CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwo s ALA 1055N -2.37 3.85 0.00 7.54 0.00 0.16 -2.01 121.76 128.94 3jwo s ALA 1055Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3jwo s ALA 1055Cb 0.09 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3jwo s ALA 1055CO 0.50 0.59 0.00 -3.47 0.00 0.00 0.00 175.76 173.38 3jwo n ASP 1056N 2.00 0.00 -4.62 0.00 2.03 -0.69 -4.88 116.55 110.39 3jwo n ASP 1056Ca -0.19 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.83 3jwo n ASP 1056Cb 0.55 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.14 3jwo n ASP 1056CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3jwo s SER 1057N 0.00 2.22 -0.05 1.67 0.15 -1.26 -4.31 113.70 112.12 3jwo s SER 1057Ca 0.00 1.44 0.06 0.00 0.70 0.00 0.00 55.95 58.15 3jwo s SER 1057Cb 0.00 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.17 3jwo s SER 1057CO 0.00 -3.42 -0.22 -0.13 1.20 0.00 0.00 173.24 170.67 3jwo s ARG 1058N -4.76 2.16 0.34 5.44 1.81 -1.26 -4.99 118.95 117.69 3jwo s ARG 1058Ca 0.66 -0.79 0.16 0.00 -1.72 0.00 0.00 55.73 54.04 3jwo s ARG 1058Cb -0.21 -1.89 0.56 0.00 -0.45 0.00 0.00 34.95 32.96 3jwo s ARG 1058CO 0.60 0.36 1.69 0.07 -0.68 0.00 0.00 175.30 177.33 3jwo h ARG 1059N 6.03 0.00 -0.49 3.54 -0.00 -1.97 -3.27 114.38 118.22 3jwo h ARG 1059Ca -0.34 0.00 0.14 0.00 -0.00 0.00 0.00 59.98 59.78 3jwo h ARG 1059Cb 1.17 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.12 3jwo h ARG 1059CO 0.47 0.46 0.57 0.66 -0.00 0.00 0.00 179.97 182.13 3jwo h SER 1060N 0.00 0.00 0.13 0.08 4.64 -1.96 0.58 113.55 117.01 3jwo h SER 1060Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jwo h SER 1060Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3jwo h SER 1060CO 0.06 0.00 -0.70 0.18 -0.87 0.00 0.00 176.83 175.50 3jwo n LEU 1061N -3.59 1.12 0.26 5.97 4.32 -1.23 -4.33 117.00 119.52 3jwo n LEU 1061Ca 0.09 -0.43 0.08 0.00 -0.02 0.00 0.00 56.01 55.74 3jwo n LEU 1061Cb 0.76 -0.07 0.63 0.00 -1.62 0.00 0.00 43.42 43.12 3jwo n LEU 1061CO 0.26 0.25 1.05 -0.50 -1.22 0.00 0.00 177.39 177.22 3jwo h TRP 1062N 0.66 0.00 0.00 -1.77 6.55 -0.80 -1.58 115.95 119.00 3jwo h TRP 1062Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3jwo h TRP 1062Cb 0.56 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.86 3jwo h TRP 1062CO 0.00 0.02 0.00 -0.25 -1.05 0.00 0.00 178.44 177.16 3jwo n ASP 1063N -4.50 0.00 -0.81 -3.49 8.00 -1.26 -1.49 116.55 113.00 3jwo n ASP 1063Ca -0.03 0.49 0.07 0.00 0.71 0.00 0.00 54.79 56.03 3jwo n ASP 1063Cb 0.11 -0.49 0.18 0.00 -0.02 0.00 0.00 41.12 40.90 3jwo n ASP 1063CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jwo n GLN 1064N -1.49 2.55 -0.95 -1.24 3.00 -0.63 -3.41 117.38 115.21 3jwo n GLN 1064Ca 0.04 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.93 3jwo n GLN 1064Cb 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 29.08 3jwo n GLN 1064CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3jwo n GLY 1065N 0.84 0.47 3.60 1.08 0.00 -0.56 -4.47 105.19 106.16 3jwo n GLY 1065Ca 0.14 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 3jwo n GLY 1065CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jwo s ASN 1066N -2.46 6.20 -0.50 1.61 0.01 -0.98 -1.68 114.94 117.14 3jwo s ASN 1066Ca 0.00 0.20 0.07 0.00 -0.71 0.00 0.00 52.86 52.42 3jwo s ASN 1066Cb 0.00 -2.19 0.25 0.00 0.41 0.00 0.00 41.25 39.72 3jwo s ASN 1066CO 0.00 -0.16 0.62 0.49 -1.51 0.00 0.00 177.10 176.54 3jwo n PHE 1067N 5.28 1.40 -1.64 2.20 3.01 -0.28 -3.09 117.46 124.34 3jwo n PHE 1067Ca -0.10 -3.82 -0.32 0.00 1.01 0.00 0.00 57.45 54.22 3jwo n PHE 1067Cb 0.51 -0.44 0.05 0.00 -0.01 0.00 0.00 39.48 39.59 3jwo n PHE 1067CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3jwo s PRO 1068N -1.74 2.79 -0.31 -1.08 0.02 -1.26 -4.11 135.00 129.31 3jwo s PRO 1068Ca 0.37 1.18 0.02 0.00 0.02 0.00 0.00 61.00 62.59 3jwo s PRO 1068Cb 0.16 -1.96 0.08 0.00 0.02 0.00 0.00 34.50 32.79 3jwo s PRO 1068CO -0.07 -1.23 -0.01 -1.17 -0.33 0.00 0.00 177.00 174.20 3jwo s LEU 1069N -5.24 4.13 -0.24 -5.54 2.96 0.47 -4.29 118.68 110.93 3jwo s LEU 1069Ca 0.62 -1.67 -0.11 0.00 -0.22 0.00 0.00 54.13 52.75 3jwo s LEU 1069Cb -0.17 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3jwo s LEU 1069CO 0.48 -0.30 0.20 -0.63 -1.32 0.00 0.00 176.35 174.78 3jwo s ILE 1070N 1.08 5.33 -0.20 6.68 1.01 -1.26 -1.83 121.20 132.00 3jwo s ILE 1070Ca -0.00 0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 3jwo s ILE 1070Cb -0.20 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3jwo s ILE 1070CO -0.05 0.32 -0.10 -0.63 0.00 0.00 0.00 174.94 174.48 3jwo s ILE 1071N 1.15 2.94 0.32 2.92 1.01 -0.35 -1.70 121.20 127.49 3jwo s ILE 1071Ca 0.09 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.17 3jwo s ILE 1071Cb -0.14 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 3jwo s ILE 1071CO 0.05 0.47 0.38 -1.59 0.00 0.00 0.00 174.94 174.25 3jwo s LYS 1072N 1.35 3.03 -1.38 2.79 -2.85 -0.85 -1.15 119.74 120.68 3jwo s LYS 1072Ca 0.04 -1.06 -0.04 0.00 -1.00 0.00 0.00 55.97 53.90 3jwo s LYS 1072Cb -0.14 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 32.92 3jwo s LYS 1072CO -0.06 0.14 0.42 -1.71 0.10 0.00 0.00 175.35 174.25 3jwo n ASN 1073N -1.50 -0.95 -4.45 0.03 5.15 -1.15 -4.81 115.26 107.58 3jwo n ASN 1073Ca -0.02 -1.06 -0.40 0.00 -0.60 0.00 0.00 54.58 52.50 3jwo n ASN 1073Cb 0.58 -2.83 0.02 0.00 -0.53 0.00 0.00 39.78 37.02 3jwo n ASN 1073CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3jwo n LEU 1074N -4.43 0.18 -4.65 1.20 4.77 -0.32 -4.62 117.00 109.13 3jwo n LEU 1074Ca -0.28 0.81 -0.29 0.00 -0.03 0.00 0.00 56.01 56.22 3jwo n LEU 1074Cb 0.67 -1.13 -0.09 0.00 -2.33 0.00 0.00 43.42 40.54 3jwo n LEU 1074CO 0.75 -3.05 -0.25 -0.54 -1.33 0.00 0.00 177.39 172.98 3jwo s LYS 1075N -1.79 2.04 0.26 3.23 1.02 -1.26 -1.50 119.74 121.74 3jwo s LYS 1075Ca 0.65 -2.25 0.14 0.00 0.02 0.00 0.00 55.97 54.53 3jwo s LYS 1075Cb -0.52 -1.27 0.10 0.00 -0.52 0.00 0.00 37.83 35.62 3jwo s LYS 1075CO 0.57 -0.32 1.45 0.82 -0.92 0.00 0.00 175.35 176.96 3jwo h ILE 1076N 1.60 1.07 0.00 2.17 1.08 -1.96 -3.11 117.51 118.37 3jwo h ILE 1076Ca -0.42 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 61.67 3jwo h ILE 1076Cb 1.29 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 37.48 3jwo h ILE 1076CO 0.71 0.59 0.00 -0.62 -0.69 0.00 0.00 178.15 178.14 3jwo n GLU 1077N -3.31 0.08 -0.03 2.37 4.71 -1.26 -2.46 120.64 120.73 3jwo n GLU 1077Ca 0.01 0.26 0.07 0.00 -0.01 0.00 0.00 57.16 57.50 3jwo n GLU 1077Cb 0.75 -1.63 0.37 0.00 -1.01 0.00 0.00 31.44 29.91 3jwo n GLU 1077CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3jwo n ASP 1078N -1.78 0.48 -4.64 1.62 8.00 -1.17 -4.77 116.55 114.29 3jwo n ASP 1078Ca 0.04 -1.64 -0.43 0.00 0.71 0.00 0.00 54.79 53.46 3jwo n ASP 1078Cb 0.23 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 3jwo n ASP 1078CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3jwo s SER 1079N -1.41 6.86 -0.20 -2.24 0.01 -1.03 -4.86 113.70 110.83 3jwo s SER 1079Ca 0.23 1.18 -0.35 0.00 1.31 0.00 0.00 55.95 58.31 3jwo s SER 1079Cb 0.11 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.94 3jwo s SER 1079CO 0.18 -0.92 1.23 -0.62 0.41 0.00 0.00 173.24 173.51 3jwo s ASP 1080N 2.04 -0.12 -0.21 2.44 2.15 -0.80 -4.99 116.67 117.17 3jwo s ASP 1080Ca 0.50 -0.00 -0.25 0.00 0.43 0.00 0.00 52.55 53.23 3jwo s ASP 1080Cb -0.15 0.13 -0.01 0.00 -0.30 0.00 0.00 42.92 42.60 3jwo s ASP 1080CO 0.17 -0.21 0.83 -0.89 -0.17 0.00 0.00 175.17 174.90 3jwo s THR 1081N -2.38 4.85 -0.19 1.71 2.01 -1.26 -1.54 115.64 118.84 3jwo s THR 1081Ca 0.10 1.60 -0.04 0.00 0.31 0.00 0.00 61.69 63.65 3jwo s THR 1081Cb -0.01 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 3jwo s THR 1081CO -0.04 -0.03 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.53 3jwo s TYR 1082N 2.56 3.01 -0.21 4.92 1.51 0.71 -2.13 117.35 127.72 3jwo s TYR 1082Ca 0.36 -0.51 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 3jwo s TYR 1082Cb -0.16 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 3jwo s TYR 1082CO 0.09 -0.26 0.05 0.42 -1.11 0.00 0.00 175.55 174.75 3jwo s ILE 1083N 0.95 4.43 -0.38 2.71 1.01 0.40 -1.75 121.20 128.57 3jwo s ILE 1083Ca 0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 3jwo s ILE 1083Cb -0.14 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.30 3jwo s ILE 1083CO 0.01 0.40 0.33 0.00 0.00 0.00 0.00 174.94 175.68 3jwo s GLU 1085N 1.87 3.50 -0.08 0.00 2.02 -0.10 -2.61 118.70 123.30 3jwo s GLU 1085Ca 0.08 -0.37 -0.03 0.00 0.02 0.00 0.00 54.97 54.67 3jwo s GLU 1085Cb -0.18 -3.84 0.04 0.00 0.10 0.00 0.00 34.13 30.26 3jwo s GLU 1085CO 0.11 -0.64 0.17 0.54 0.02 0.00 0.00 175.26 175.46 3jwo s VAL 1086N 2.20 -0.08 -0.80 2.63 0.11 -0.78 -1.78 120.40 121.91 3jwo s VAL 1086Ca 0.15 0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 59.37 3jwo s VAL 1086Cb -0.16 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 3jwo s VAL 1086CO 0.13 0.08 0.61 -1.84 -3.33 0.00 0.00 175.10 170.75 3jwo n GLU 1087N 4.36 -1.55 -1.91 1.54 0.28 -1.26 -2.11 120.64 119.99 3jwo n GLU 1087Ca -0.24 0.83 -0.18 0.00 -0.16 0.00 0.00 57.16 57.42 3jwo n GLU 1087Cb 0.52 -2.48 -0.05 0.00 1.43 0.00 0.00 31.44 30.86 3jwo n GLU 1087CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3jwo n ASP 1088N -2.46 -4.95 -4.07 -1.84 8.00 -1.26 -4.95 116.55 105.02 3jwo n ASP 1088Ca -0.29 0.28 -0.19 0.00 0.71 0.00 0.00 54.79 55.30 3jwo n ASP 1088Cb 0.68 -4.30 -0.14 0.00 -0.02 0.00 0.00 41.12 37.34 3jwo n ASP 1088CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jwo s GLN 1089N -4.18 0.81 -0.61 -1.24 -2.07 -0.90 -5.10 119.66 106.38 3jwo s GLN 1089Ca 0.00 -0.52 0.05 0.00 -1.82 0.00 0.00 55.36 53.07 3jwo s GLN 1089Cb 0.00 -0.77 0.19 0.00 -1.09 0.00 0.00 33.01 31.34 3jwo s GLN 1089CO 0.00 0.20 0.51 1.63 -1.32 0.00 0.00 175.29 176.31 3jwo n LYS 1090N 2.39 1.54 -2.21 9.60 4.01 -1.26 -1.86 118.16 130.37 3jwo n LYS 1090Ca -0.16 -4.16 -0.42 0.00 -0.51 0.00 0.00 58.31 53.07 3jwo n LYS 1090Cb 0.56 -2.08 -0.03 0.00 -0.51 0.00 0.00 35.03 32.97 3jwo n LYS 1090CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3jwo s GLU 1091N -1.32 4.36 0.11 1.97 2.02 -1.07 -4.83 118.70 119.95 3jwo s GLU 1091Ca 0.30 2.04 0.06 0.00 0.02 0.00 0.00 54.97 57.39 3jwo s GLU 1091Cb 0.03 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 3jwo s GLU 1091CO -0.14 -0.34 -0.01 -2.00 0.02 0.00 0.00 175.26 172.79 3jwo s GLU 1092N 0.53 2.47 -0.11 1.61 2.12 -1.26 -1.08 118.70 122.98 3jwo s GLU 1092Ca 0.60 -0.93 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 3jwo s GLU 1092Cb -0.36 -2.47 0.03 0.00 0.26 0.00 0.00 34.13 31.59 3jwo s GLU 1092CO 0.34 0.51 0.30 0.54 -0.54 0.00 0.00 175.26 176.41 3jwo s VAL 1093N -1.41 -0.01 -0.32 3.70 0.11 -0.72 -4.15 120.40 117.61 3jwo s VAL 1093Ca 0.26 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 59.20 3jwo s VAL 1093Cb -0.11 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 3jwo s VAL 1093CO 0.18 0.01 0.33 -1.58 -3.33 0.00 0.00 175.10 170.72 3jwo s GLN 1094N 0.45 3.71 -0.21 1.54 2.00 0.61 -0.21 119.66 127.56 3jwo s GLN 1094Ca -0.02 -0.32 -0.08 0.00 -2.00 0.00 0.00 55.36 52.94 3jwo s GLN 1094Cb -0.04 -3.75 -0.04 0.00 0.80 0.00 0.00 33.01 29.98 3jwo s GLN 1094CO -0.02 -0.42 0.09 -1.17 -0.50 0.00 0.00 175.29 173.27 3jwo s LEU 1095N 1.98 3.86 -0.15 3.68 2.96 -0.59 -0.35 118.68 130.07 3jwo s LEU 1095Ca 0.11 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 3jwo s LEU 1095Cb -0.16 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.55 3jwo s LEU 1095CO 0.11 0.11 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.37 3jwo s LEU 1096N 0.75 1.62 -0.32 -0.68 1.43 -0.79 -1.90 118.68 118.79 3jwo s LEU 1096Ca 0.05 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 3jwo s LEU 1096Cb -0.13 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 45.00 3jwo s LEU 1096CO 0.02 -0.08 0.12 -0.69 0.23 0.00 0.00 176.35 175.95 3jwo s VAL 1097N 1.53 4.11 0.21 -1.59 1.01 -1.26 -0.44 120.40 123.98 3jwo s VAL 1097Ca 0.04 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 3jwo s VAL 1097Cb -0.13 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3jwo s VAL 1097CO -0.10 -0.06 0.46 -0.36 0.00 0.00 0.00 175.10 175.04 3jwo s PHE 1098N 1.50 3.47 0.14 5.22 0.40 -0.67 -4.22 117.98 123.81 3jwo s PHE 1098Ca 0.02 0.59 0.04 0.00 -0.60 0.00 0.00 56.93 56.98 3jwo s PHE 1098Cb -0.18 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 3jwo s PHE 1098CO 0.04 0.32 -0.10 0.20 0.70 0.00 0.00 175.22 176.37 3jwo s GLY 1099N -2.79 1.03 -0.20 4.36 0.00 -0.12 -0.64 107.32 108.96 3jwo s GLY 1099Ca 0.42 -1.45 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 3jwo s GLY 1099CO 0.27 -1.55 0.42 -2.27 0.00 0.00 0.00 173.10 169.97 3jwo s LEU 1100N -3.08 -0.57 0.21 0.66 0.20 -1.26 0.09 118.68 114.93 3jwo s LEU 1100Ca 0.15 0.99 0.07 0.00 0.69 0.00 0.00 54.13 56.03 3jwo s LEU 1100Cb 0.02 1.37 -0.04 0.00 -0.43 0.00 0.00 46.19 47.11 3jwo s LEU 1100CO 0.00 -0.23 0.08 0.42 -0.29 0.00 0.00 176.35 176.34 3jwo s THR 1101N 2.41 4.03 -0.15 3.68 -4.23 -0.33 -4.95 115.64 116.11 3jwo s THR 1101Ca -0.03 -1.44 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3jwo s THR 1101Cb -0.11 -3.10 0.04 0.00 1.34 0.00 0.00 72.50 70.67 3jwo s THR 1101CO -0.13 -0.23 -0.01 0.00 -0.54 0.00 0.00 174.62 173.72 3jwo s ALA 1102N -1.96 1.10 -0.13 3.99 0.00 -1.26 -1.30 121.76 122.20 3jwo s ALA 1102Ca 0.30 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 3jwo s ALA 1102Cb -0.08 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 3jwo s ALA 1102CO 0.22 -0.82 -0.03 -0.80 0.00 0.00 0.00 175.76 174.33 3jwo s ASN 1103N 1.81 4.86 -0.20 0.00 0.01 -0.88 -4.99 114.94 115.55 3jwo s ASN 1103Ca 0.01 -0.05 -0.03 0.00 -0.71 0.00 0.00 52.86 52.09 3jwo s ASN 1103Cb -0.15 -1.61 0.06 0.00 0.41 0.00 0.00 41.25 39.96 3jwo s ASN 1103CO -0.07 0.25 0.03 -0.55 -1.51 0.00 0.00 177.10 175.25 3jwo s SER 1104N -0.10 3.00 -0.25 -1.22 0.15 -1.26 -0.97 113.70 113.05 3jwo s SER 1104Ca 0.02 -0.87 -0.05 0.00 0.70 0.00 0.00 55.95 55.75 3jwo s SER 1104Cb -0.13 -0.64 -0.00 0.00 -1.71 0.00 0.00 66.02 63.54 3jwo s SER 1104CO 0.02 -0.31 0.02 -1.81 1.20 0.00 0.00 173.24 172.37 3jwo s ASP 1105N 1.83 4.76 -0.19 5.45 1.01 -1.06 -4.92 116.67 123.55 3jwo s ASP 1105Ca -0.01 -0.51 -0.07 0.00 0.71 0.00 0.00 52.55 52.68 3jwo s ASP 1105Cb -0.17 -1.82 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 3jwo s ASP 1105CO -0.08 -0.09 0.05 0.28 0.21 0.00 0.00 175.17 175.53 3jwo s THR 1106N 1.50 4.56 0.12 -1.27 -1.32 -1.26 -1.67 115.64 116.31 3jwo s THR 1106Ca 0.04 -0.11 0.11 0.00 -1.21 0.00 0.00 61.69 60.52 3jwo s THR 1106Cb -0.16 -3.06 -0.04 0.00 -1.51 0.00 0.00 72.50 67.74 3jwo s THR 1106CO -0.00 0.45 -0.26 -1.00 -2.21 0.00 0.00 174.62 171.59 3jwo s HIS 1107N 0.55 2.26 0.38 9.09 3.76 -0.42 -4.97 115.29 125.95 3jwo s HIS 1107Ca 0.02 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.29 3jwo s HIS 1107Cb -0.13 -1.24 -0.09 0.00 1.11 0.00 0.00 32.58 32.24 3jwo s HIS 1107CO 0.01 0.31 1.15 -0.51 -0.85 0.00 0.00 174.74 174.85 3jwo s LEU 1108N -1.98 4.24 -1.35 0.89 1.43 -1.26 -1.15 118.68 119.50 3jwo s LEU 1108Ca 0.13 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 3jwo s LEU 1108Cb -0.10 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.14 3jwo s LEU 1108CO 0.06 -0.57 0.00 0.18 0.23 0.00 0.00 176.35 176.25 3jwo n LEU 1109N 0.23 -0.97 0.05 1.79 4.32 -1.26 -4.76 117.00 116.40 3jwo n LEU 1109Ca 0.03 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 3jwo n LEU 1109Cb 0.47 -1.96 0.00 0.00 -1.62 0.00 0.00 43.42 40.31 3jwo n LEU 1109CO 0.51 -0.65 0.00 0.00 -1.22 0.00 0.00 177.39 176.03 3jwo n GLN 1110N -2.61 0.00 0.00 3.23 1.13 -1.10 -5.18 117.38 112.85 3jwo n GLN 1110Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 3jwo n GLN 1110Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.78 3jwo n GLN 1110CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jwo n GLY 1111N 1.28 0.48 3.58 1.08 0.00 -0.30 -4.83 105.19 106.49 3jwo n GLY 1111Ca 0.00 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 3jwo n GLY 1111CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jwo s GLN 1112N -0.46 3.90 0.21 1.61 0.74 -1.22 -1.30 119.66 123.13 3jwo s GLN 1112Ca 0.00 -0.37 0.05 0.00 0.05 0.00 0.00 55.36 55.09 3jwo s GLN 1112Cb 0.00 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 3jwo s GLN 1112CO 0.00 0.10 0.23 -1.54 -0.55 0.00 0.00 175.29 173.54 3jwo s SER 1113N 0.85 5.84 -0.02 6.67 1.04 -0.67 -0.57 113.70 126.84 3jwo s SER 1113Ca 0.04 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3jwo s SER 1113Cb -0.13 -1.60 0.02 0.00 0.10 0.00 0.00 66.02 64.40 3jwo s SER 1113CO 0.02 -0.01 0.00 -0.22 0.98 0.00 0.00 173.24 174.02 3jwo s LEU 1114N -3.60 1.30 -0.19 2.42 2.96 -0.07 -2.56 118.68 118.94 3jwo s LEU 1114Ca 0.33 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 3jwo s LEU 1114Cb -0.09 -0.16 0.06 0.00 0.50 0.00 0.00 46.19 46.49 3jwo s LEU 1114CO 0.26 -0.08 0.02 -0.89 -1.32 0.00 0.00 176.35 174.34 3jwo s THR 1115N 0.83 0.63 -0.21 3.68 2.01 -0.14 0.17 115.64 122.60 3jwo s THR 1115Ca -0.08 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 3jwo s THR 1115Cb -0.11 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 3jwo s THR 1115CO -0.02 -0.16 0.38 -0.76 -0.69 0.00 0.00 174.62 173.37 3jwo s LEU 1116N 1.82 4.14 -0.12 4.42 1.43 0.37 -2.07 118.68 128.66 3jwo s LEU 1116Ca -0.01 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 3jwo s LEU 1116Cb -0.17 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 3jwo s LEU 1116CO -0.08 -0.08 -0.15 -0.89 0.23 0.00 0.00 176.35 175.38 3jwo s THR 1117N 1.39 2.84 -0.26 5.49 2.01 -0.42 -0.03 115.64 126.66 3jwo s THR 1117Ca 0.18 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 3jwo s THR 1117Cb -0.15 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 3jwo s THR 1117CO 0.08 0.54 0.25 -0.22 -0.69 0.00 0.00 174.62 174.58 3jwo s LEU 1118N 0.24 4.06 -0.60 4.42 2.96 0.16 -1.19 118.68 128.73 3jwo s LEU 1118Ca -0.10 0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.75 3jwo s LEU 1118Cb -0.16 -2.23 0.09 0.00 0.50 0.00 0.00 46.19 44.39 3jwo s LEU 1118CO 0.06 -0.06 0.76 -0.70 -1.32 0.00 0.00 176.35 175.09 3jwo s GLU 1119N 1.66 3.07 0.09 1.98 2.12 0.11 -4.89 118.70 122.84 3jwo s GLU 1119Ca 0.10 -1.16 0.02 0.00 0.36 0.00 0.00 54.97 54.29 3jwo s GLU 1119Cb -0.15 -4.24 -0.04 0.00 0.26 0.00 0.00 34.13 29.96 3jwo s GLU 1119CO 0.09 -1.58 0.15 -1.54 -0.54 0.00 0.00 175.26 171.84 3jwo s SER 1120N 3.56 5.88 0.52 -1.70 1.04 -1.26 -0.95 113.70 120.80 3jwo s SER 1120Ca 0.14 0.09 -0.21 0.00 0.48 0.00 0.00 55.95 56.45 3jwo s SER 1120Cb -0.22 -1.68 -0.05 0.00 0.10 0.00 0.00 66.02 64.17 3jwo s SER 1120CO 0.08 0.15 1.25 -2.16 0.98 0.00 0.00 173.24 173.54 3jwo s PRO 1121N -2.61 3.33 -0.05 4.02 0.04 -1.26 -4.92 135.00 133.55 3jwo s PRO 1121Ca 0.32 1.98 -0.35 0.00 0.04 0.00 0.00 61.00 62.98 3jwo s PRO 1121Cb -0.12 -2.24 -0.13 0.00 0.04 0.00 0.00 34.50 32.05 3jwo s PRO 1121CO 0.25 -0.96 1.74 -2.30 0.04 0.00 0.00 177.00 175.77 3jwo n PRO 1122N -0.95 1.91 -1.98 0.56 -0.02 -1.26 -3.69 135.00 129.56 3jwo n PRO 1122Ca 0.10 0.70 -0.02 0.00 -2.02 0.00 0.00 63.50 62.25 3jwo n PRO 1122Cb 0.47 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3jwo n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jwo n GLY 1123N 3.98 -0.87 3.57 -1.23 0.00 -1.26 -5.10 105.19 104.28 3jwo n GLY 1123Ca 0.22 0.32 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 3jwo n GLY 1123CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwo s SER 1124N -1.68 -0.47 -0.69 1.61 1.04 -1.24 -5.12 113.70 107.16 3jwo s SER 1124Ca 0.07 0.58 0.02 0.00 0.48 0.00 0.00 55.95 57.10 3jwo s SER 1124Cb -0.02 0.47 0.17 0.00 0.10 0.00 0.00 66.02 66.74 3jwo s SER 1124CO 0.27 -0.39 0.50 -0.55 0.98 0.00 0.00 173.24 174.05 3jwo s SER 1125N -0.92 5.06 0.36 7.02 0.15 -1.26 -5.01 113.70 119.10 3jwo s SER 1125Ca -0.04 -3.45 -0.12 0.00 0.70 0.00 0.00 55.95 53.05 3jwo s SER 1125Cb -0.01 -1.74 -0.07 0.00 -1.71 0.00 0.00 66.02 62.48 3jwo s SER 1125CO 0.03 -0.19 0.74 -2.84 1.20 0.00 0.00 173.24 172.17 3jwo s PRO 1126N -0.91 3.87 -0.22 5.44 0.02 -1.26 -4.75 135.00 137.19 3jwo s PRO 1126Ca 0.22 0.53 -0.01 0.00 0.02 0.00 0.00 61.00 61.76 3jwo s PRO 1126Cb -0.13 -2.43 0.06 0.00 0.02 0.00 0.00 34.50 32.02 3jwo s PRO 1126CO -0.09 0.07 -0.02 0.45 -0.33 0.00 0.00 177.00 177.08 3jwo s SER 1127N -2.74 3.52 0.01 2.53 0.15 -0.89 -4.94 113.70 111.35 3jwo s SER 1127Ca 0.52 -1.05 -0.19 0.00 0.70 0.00 0.00 55.95 55.92 3jwo s SER 1127Cb -0.10 -0.97 -0.06 0.00 -1.71 0.00 0.00 66.02 63.18 3jwo s SER 1127CO 0.25 -0.26 0.55 -0.69 1.20 0.00 0.00 173.24 174.29 3jwo s VAL 1128N 1.56 4.89 -0.34 4.45 1.01 -1.15 -1.92 120.40 128.90 3jwo s VAL 1128Ca -0.04 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 3jwo s VAL 1128Cb -0.18 -3.88 0.12 0.00 0.00 0.00 0.00 36.38 32.43 3jwo s VAL 1128CO -0.07 0.48 0.16 -1.58 0.00 0.00 0.00 175.10 174.09 3jwo s GLN 1129N -0.55 0.63 0.06 2.72 2.00 -1.07 -2.74 119.66 120.71 3jwo s GLN 1129Ca 0.29 -1.16 -0.22 0.00 -2.00 0.00 0.00 55.36 52.27 3jwo s GLN 1129Cb -0.18 -1.66 -0.06 0.00 0.80 0.00 0.00 33.01 31.91 3jwo s GLN 1129CO 0.17 -1.08 0.64 0.00 -0.50 0.00 0.00 175.29 174.51 3jwo s ARG 1131N -0.63 2.87 0.54 0.00 3.52 0.23 -0.93 118.95 124.55 3jwo s ARG 1131Ca 0.32 -0.98 -0.22 0.00 -0.13 0.00 0.00 55.73 54.72 3jwo s ARG 1131Cb -0.20 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 29.93 3jwo s ARG 1131CO 0.20 -0.47 1.29 0.45 -0.81 0.00 0.00 175.30 175.96 3jwo n SER 1132N 4.76 2.35 -0.32 -2.12 2.88 -0.85 -2.83 113.62 117.49 3jwo n SER 1132Ca -0.15 0.96 0.21 0.00 -1.33 0.00 0.00 58.87 58.56 3jwo n SER 1132Cb 0.47 -1.54 0.48 0.00 -0.75 0.00 0.00 64.21 62.87 3jwo n SER 1132CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3jwo h PRO 1133N 1.33 0.43 -0.01 -1.46 0.11 -1.84 0.15 132.00 130.71 3jwo h PRO 1133Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3jwo h PRO 1133Cb 1.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jwo h PRO 1133CO 0.56 0.28 -0.01 2.89 -0.21 0.00 0.00 178.00 181.51 3jwo n ARG 1134N -4.64 1.48 0.00 1.05 1.85 -1.26 -4.89 116.66 110.25 3jwo n ARG 1134Ca 0.24 -0.75 0.00 0.00 -1.00 0.00 0.00 57.85 56.35 3jwo n ARG 1134Cb 0.82 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.74 3jwo n ARG 1134CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3jwo n GLY 1135N 1.15 1.21 3.50 2.89 0.00 0.53 -5.05 105.19 109.43 3jwo n GLY 1135Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3jwo n GLY 1135CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jwo s LYS 1136N -0.54 3.72 0.35 1.61 2.20 -1.23 -4.78 119.74 121.07 3jwo s LYS 1136Ca 0.00 -1.72 -0.28 0.00 -0.36 0.00 0.00 55.97 53.62 3jwo s LYS 1136Cb 0.00 -5.16 -0.10 0.00 -1.51 0.00 0.00 37.83 31.06 3jwo s LYS 1136CO 0.00 -1.97 1.25 -0.80 -0.36 0.00 0.00 175.35 173.47 3jwo s ASN 1137N 4.01 6.71 -0.03 1.43 0.01 -1.26 -2.00 114.94 123.81 3jwo s ASN 1137Ca 0.41 2.56 0.03 0.00 -0.71 0.00 0.00 52.86 55.15 3jwo s ASN 1137Cb -0.02 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.01 3jwo s ASN 1137CO -0.06 -0.57 -0.09 0.27 -1.51 0.00 0.00 177.10 175.14 3jwo s ILE 1138N -1.22 0.81 0.69 0.60 -4.36 -0.11 -4.96 121.20 112.66 3jwo s ILE 1138Ca 0.51 -0.37 -0.10 0.00 -0.26 0.00 0.00 60.65 60.42 3jwo s ILE 1138Cb -0.37 -0.72 0.02 0.00 1.25 0.00 0.00 42.46 42.63 3jwo s ILE 1138CO 0.48 0.25 1.06 -1.58 0.24 0.00 0.00 174.94 175.40 3jwo s GLN 1139N 0.21 2.84 -0.29 0.37 2.00 -1.26 -2.34 119.66 121.19 3jwo s GLN 1139Ca -0.04 0.37 -0.35 0.00 -2.00 0.00 0.00 55.36 53.34 3jwo s GLN 1139Cb -0.09 -2.06 0.17 0.00 0.80 0.00 0.00 33.01 31.83 3jwo s GLN 1139CO 0.01 -0.99 1.38 0.20 -0.50 0.00 0.00 175.29 175.38 3jwo s GLY 1140N -4.36 -0.09 0.00 2.59 0.00 -1.11 -4.92 107.32 99.44 3jwo s GLY 1140Ca 0.57 2.27 0.00 0.00 0.00 0.00 0.00 44.72 47.57 3jwo s GLY 1140CO 0.50 0.81 0.00 0.61 0.00 0.00 0.00 173.10 175.03 3jwo n GLY 1141N 0.18 0.23 0.11 0.20 0.00 -1.26 -2.94 105.19 101.71 3jwo n GLY 1141Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3jwo n GLY 1141CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3jwo h LYS 1142N 0.00 0.22 -5.91 1.61 1.63 -1.92 -3.40 116.57 108.80 3jwo h LYS 1142Ca 0.00 -0.13 -0.54 0.00 -0.85 0.00 0.00 60.65 59.13 3jwo h LYS 1142Cb 0.00 0.01 -0.25 0.00 -0.60 0.00 0.00 32.23 31.39 3jwo h LYS 1142CO 0.00 0.67 -0.83 0.95 -3.45 0.00 0.00 179.45 176.80 3jwo s THR 1143N -4.19 1.54 -0.16 1.00 -4.23 -1.26 -0.67 115.64 107.67 3jwo s THR 1143Ca -0.15 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 3jwo s THR 1143Cb 0.04 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.52 3jwo s THR 1143CO 0.73 0.10 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.94 3jwo s LEU 1144N -1.33 2.18 0.15 4.79 1.02 0.95 -4.87 118.68 121.58 3jwo s LEU 1144Ca 0.06 -0.60 0.07 0.00 0.02 0.00 0.00 54.13 53.68 3jwo s LEU 1144Cb -0.09 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 3jwo s LEU 1144CO 0.02 0.05 -0.04 -0.44 0.02 0.00 0.00 176.35 175.96 3jwo s SER 1145N 0.98 4.61 -0.19 2.29 0.01 -1.26 -0.48 113.70 119.65 3jwo s SER 1145Ca -0.03 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 3jwo s SER 1145Cb -0.15 -0.93 0.06 0.00 0.21 0.00 0.00 66.02 65.21 3jwo s SER 1145CO -0.05 0.12 0.05 -0.69 0.41 0.00 0.00 173.24 173.08 3jwo s VAL 1146N -1.58 0.37 0.09 3.43 1.01 0.13 -4.98 120.40 118.87 3jwo s VAL 1146Ca 0.25 -0.48 -0.32 0.00 0.00 0.00 0.00 61.98 61.44 3jwo s VAL 1146Cb -0.10 -0.93 -0.14 0.00 0.00 0.00 0.00 36.38 35.22 3jwo s VAL 1146CO 0.17 -0.24 1.61 0.28 0.00 0.00 0.00 175.10 176.91 3jwo h SER 1147N 8.29 -1.00 -3.25 3.32 0.02 -1.87 -0.16 113.55 118.90 3jwo h SER 1147Ca -0.16 0.08 -0.47 0.00 -0.84 0.00 0.00 61.79 60.40 3jwo h SER 1147Cb 1.12 0.33 -0.39 0.00 0.14 0.00 0.00 62.40 63.61 3jwo h SER 1147CO 0.33 -0.51 -0.77 -1.10 -1.14 0.00 0.00 176.83 173.64 3jwo s GLN 1148N -5.99 0.70 0.98 3.45 -0.21 -1.25 -3.42 119.66 113.92 3jwo s GLN 1148Ca -0.17 -0.10 -0.12 0.00 0.02 0.00 0.00 55.36 54.99 3jwo s GLN 1148Cb 0.06 -1.41 0.17 0.00 1.00 0.00 0.00 33.01 32.83 3jwo s GLN 1148CO 0.63 -0.42 1.08 -0.51 -2.12 0.00 0.00 175.29 173.96 3jwo s LEU 1149N 1.91 1.84 0.33 2.90 1.02 0.27 -4.96 118.68 121.99 3jwo s LEU 1149Ca 0.03 1.43 0.05 0.00 0.02 0.00 0.00 54.13 55.66 3jwo s LEU 1149Cb -0.14 -3.69 -0.07 0.00 0.02 0.00 0.00 46.19 42.32 3jwo s LEU 1149CO -0.06 -3.09 0.04 -1.61 0.02 0.00 0.00 176.35 171.64 3jwo s GLU 1150N -4.85 1.68 0.47 1.70 2.02 -1.26 -4.56 118.70 113.90 3jwo s GLU 1150Ca 0.65 -1.93 0.13 0.00 0.02 0.00 0.00 54.97 53.84 3jwo s GLU 1150Cb -0.20 -1.02 1.08 0.00 0.10 0.00 0.00 34.13 34.10 3jwo s GLU 1150CO 0.58 -0.14 2.09 1.25 0.02 0.00 0.00 175.26 179.07 3jwo h LEU 1151N 2.09 0.17 -0.57 1.80 5.85 -1.95 -2.14 115.31 120.56 3jwo h LEU 1151Ca -0.41 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.20 3jwo h LEU 1151Cb 1.24 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3jwo h LEU 1151CO 0.71 0.15 -0.47 1.56 -0.34 0.00 0.00 178.44 180.05 3jwo h GLN 1152N 0.19 0.00 0.00 1.25 7.50 -2.03 -3.12 115.11 118.90 3jwo h GLN 1152Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 3jwo h GLN 1152Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.56 3jwo h GLN 1152CO -0.01 0.47 0.00 -0.25 -1.50 0.00 0.00 178.83 177.55 3jwo n ASP 1153N -3.43 0.00 -4.66 1.46 8.00 -0.80 -4.59 116.55 112.52 3jwo n ASP 1153Ca 0.00 0.03 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 3jwo n ASP 1153Cb 0.62 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 3jwo n ASP 1153CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3jwo s SER 1154N -2.52 6.96 0.00 -2.24 0.15 -1.18 -4.69 113.70 110.18 3jwo s SER 1154Ca 0.14 1.66 0.00 0.00 0.70 0.00 0.00 55.95 58.45 3jwo s SER 1154Cb 0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3jwo s SER 1154CO 0.21 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.51 3jwo n GLY 1155N 3.59 -0.32 3.20 9.45 0.00 -0.92 -4.96 105.19 115.23 3jwo n GLY 1155Ca 0.14 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 3jwo n GLY 1155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jwo s THR 1156N -3.34 3.39 -0.06 2.61 2.01 -1.26 -0.38 115.64 118.61 3jwo s THR 1156Ca 0.00 -1.45 -0.20 0.00 0.31 0.00 0.00 61.69 60.35 3jwo s THR 1156Cb 0.00 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 3jwo s THR 1156CO 0.00 -0.28 0.57 0.26 -0.69 0.00 0.00 174.62 174.48 3jwo s TRP 1157N 1.29 3.60 -0.28 4.92 0.52 0.02 -4.26 118.94 124.74 3jwo s TRP 1157Ca -0.01 1.10 -0.07 0.00 0.02 0.00 0.00 56.10 57.15 3jwo s TRP 1157Cb -0.21 -2.63 0.00 0.00 -1.15 0.00 0.00 33.47 29.49 3jwo s TRP 1157CO -0.00 0.23 0.07 0.95 0.02 0.00 0.00 176.95 178.22 3jwo s THR 1158N 0.30 3.96 -0.31 2.01 -4.23 -1.13 -1.02 115.64 115.23 3jwo s THR 1158Ca 0.31 -0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 60.12 3jwo s THR 1158Cb -0.17 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3jwo s THR 1158CO 0.15 0.14 0.11 0.00 -0.54 0.00 0.00 174.62 174.48 3jwo s THR 1160N 1.54 4.27 -0.02 0.00 2.01 -0.85 -0.26 115.64 122.33 3jwo s THR 1160Ca 0.03 -0.23 -0.22 0.00 0.31 0.00 0.00 61.69 61.58 3jwo s THR 1160Cb -0.17 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 3jwo s THR 1160CO 0.04 0.31 0.64 -0.69 -0.69 0.00 0.00 174.62 174.23 3jwo s VAL 1161N 1.60 4.94 -0.23 3.82 1.01 0.39 -2.58 120.40 129.35 3jwo s VAL 1161Ca 0.06 1.34 -0.03 0.00 0.00 0.00 0.00 61.98 63.35 3jwo s VAL 1161Cb -0.15 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.26 3jwo s VAL 1161CO 0.03 0.36 -0.05 -0.22 0.00 0.00 0.00 175.10 175.22 3jwo s LEU 1162N 0.16 3.02 -0.12 3.92 0.20 -0.81 -1.48 118.68 123.57 3jwo s LEU 1162Ca 0.33 -0.63 -0.07 0.00 0.69 0.00 0.00 54.13 54.45 3jwo s LEU 1162Cb -0.18 -1.70 0.04 0.00 -0.43 0.00 0.00 46.19 43.92 3jwo s LEU 1162CO 0.18 -0.08 0.29 -1.58 -0.29 0.00 0.00 176.35 174.87 3jwo s GLN 1163N 1.40 0.28 -1.36 1.98 2.00 -0.47 -2.09 119.66 121.40 3jwo s GLN 1163Ca 0.03 0.54 -0.07 0.00 -2.00 0.00 0.00 55.36 53.86 3jwo s GLN 1163Cb -0.15 -0.01 0.00 0.00 0.80 0.00 0.00 33.01 33.65 3jwo s GLN 1163CO -0.04 -0.12 0.45 0.09 -0.50 0.00 0.00 175.29 175.17 3jwo n ASN 1164N 3.83 -1.42 0.00 6.67 3.02 -1.26 -2.28 115.26 123.82 3jwo n ASN 1164Ca -0.21 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 3jwo n ASN 1164Cb 0.55 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.95 3jwo n ASN 1164CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwo n GLN 1165N -4.45 0.00 -4.48 3.52 1.13 -1.26 -4.94 117.38 106.90 3jwo n GLN 1165Ca -0.25 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.51 3jwo n GLN 1165Cb 0.66 -0.86 -0.07 0.00 0.11 0.00 0.00 30.24 30.08 3jwo n GLN 1165CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3jwo s LYS 1166N 0.00 2.17 0.10 -1.09 2.36 -0.97 -5.14 119.74 117.17 3jwo s LYS 1166Ca 0.00 -2.20 0.02 0.00 -2.55 0.00 0.00 55.97 51.24 3jwo s LYS 1166Cb 0.00 -1.72 -0.04 0.00 -1.05 0.00 0.00 37.83 35.02 3jwo s LYS 1166CO 0.00 -0.32 -0.07 -1.59 1.55 0.00 0.00 175.35 174.92 3jwo s LYS 1167N -3.93 0.83 -0.02 4.03 -2.85 -1.26 -1.37 119.74 115.17 3jwo s LYS 1167Ca 0.21 -1.32 0.04 0.00 -1.00 0.00 0.00 55.97 53.90 3jwo s LYS 1167Cb 0.03 -0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 35.58 3jwo s LYS 1167CO 0.12 -0.01 -0.13 0.54 0.10 0.00 0.00 175.35 175.96 3jwo s VAL 1168N -3.55 1.08 -0.17 1.79 0.11 -0.55 -4.97 120.40 114.14 3jwo s VAL 1168Ca 0.11 -0.55 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 3jwo s VAL 1168Cb 0.05 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 3jwo s VAL 1168CO -0.05 0.31 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.29 3jwo s GLU 1169N -0.10 3.57 -0.05 1.54 2.12 -1.26 -0.46 118.70 124.06 3jwo s GLU 1169Ca 0.01 -0.56 -0.00 0.00 0.36 0.00 0.00 54.97 54.78 3jwo s GLU 1169Cb -0.08 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 3jwo s GLU 1169CO 0.00 0.14 -0.00 -0.06 -0.54 0.00 0.00 175.26 174.80 3jwo s PHE 1170N 0.61 3.10 -0.10 5.30 0.08 0.64 -4.98 117.98 122.64 3jwo s PHE 1170Ca -0.03 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.18 3jwo s PHE 1170Cb -0.15 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 3jwo s PHE 1170CO 0.03 0.45 -0.21 0.15 -0.10 0.00 0.00 175.22 175.54 3jwo s LYS 1171N -1.18 3.02 -0.10 0.44 1.02 -1.26 -0.83 119.74 120.84 3jwo s LYS 1171Ca 0.16 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 3jwo s LYS 1171Cb -0.11 -2.37 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 3jwo s LYS 1171CO 0.06 0.25 -0.03 0.42 -0.92 0.00 0.00 175.35 175.13 3jwo s ILE 1172N 0.19 0.72 -0.37 2.17 1.01 -0.18 -5.00 121.20 119.74 3jwo s ILE 1172Ca -0.12 -0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 3jwo s ILE 1172Cb -0.16 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.49 3jwo s ILE 1172CO 0.07 0.27 1.00 -0.62 0.00 0.00 0.00 174.94 175.66 3jwo s ASP 1173N 1.83 6.75 -0.24 3.58 2.15 -1.26 -0.80 116.67 128.68 3jwo s ASP 1173Ca 0.04 0.71 -0.12 0.00 0.43 0.00 0.00 52.55 53.62 3jwo s ASP 1173Cb -0.13 -2.50 -0.05 0.00 -0.30 0.00 0.00 42.92 39.94 3jwo s ASP 1173CO -0.07 -0.92 0.23 -0.63 -0.17 0.00 0.00 175.17 173.62 3jwo s ILE 1174N 3.67 5.30 -0.25 4.11 -1.09 0.48 -4.98 121.20 128.44 3jwo s ILE 1174Ca 0.42 0.32 -0.09 0.00 -2.23 0.00 0.00 60.65 59.07 3jwo s ILE 1174Cb -0.11 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 3jwo s ILE 1174CO 0.19 0.29 0.12 -0.69 -1.23 0.00 0.00 174.94 173.63 3jwo s VAL 1175N 1.32 4.82 -0.32 2.92 1.01 -1.26 -2.16 120.40 126.73 3jwo s VAL 1175Ca 0.10 -0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 3jwo s VAL 1175Cb -0.14 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3jwo s VAL 1175CO 0.07 0.32 0.51 0.54 0.00 0.00 0.00 175.10 176.54 3jwo s VAL 1176N 1.46 5.04 -0.05 2.92 0.11 -1.26 -4.94 120.40 123.68 3jwo s VAL 1176Ca 0.06 0.50 0.09 0.00 -2.93 0.00 0.00 61.98 59.71 3jwo s VAL 1176Cb -0.15 -3.91 -0.24 0.00 -1.53 0.00 0.00 36.38 30.55 3jwo s VAL 1176CO 0.06 -0.11 0.65 -0.07 -3.33 0.00 0.00 175.10 172.30 3jwo h LEU 1177N 8.99 0.07 -7.11 2.54 4.07 -1.97 -3.48 115.31 118.42 3jwo h LEU 1177Ca -0.28 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 57.47 3jwo h LEU 1177Cb 1.13 -0.02 -0.23 0.00 1.08 0.00 0.00 40.66 42.62 3jwo h LEU 1177CO 0.75 1.14 -0.08 0.00 -1.08 0.00 0.00 178.44 179.16 3jwo s ALA 1178N -2.60 -1.49 0.02 1.53 0.00 -1.26 -5.08 121.76 112.89 3jwo s ALA 1178Ca -0.07 1.89 0.03 0.00 0.00 0.00 0.00 51.96 53.80 3jwo s ALA 1178Cb 0.08 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 3jwo s ALA 1178CO 0.82 -0.31 -0.08 -0.59 0.00 0.00 0.00 175.76 175.60 3jwo s PHE 1179N 1.07 0.72 0.49 0.00 -0.71 -1.26 -3.40 117.98 114.88 3jwo s PHE 1179Ca -0.06 -0.31 -0.20 0.00 -1.04 0.00 0.00 56.93 55.32 3jwo s PHE 1179Cb -0.06 -0.44 -0.09 0.00 -1.21 0.00 0.00 43.02 41.23 3jwo s PHE 1179CO -0.10 -0.03 1.01 -0.65 -1.34 0.00 0.00 175.22 174.11 3jwo s GLN 1180N -0.92 3.87 -0.18 1.99 -0.21 -1.26 -5.04 119.66 117.91 3jwo s GLN 1180Ca -0.03 1.24 -0.11 0.00 0.02 0.00 0.00 55.36 56.48 3jwo s GLN 1180Cb -0.06 -2.11 0.06 0.00 1.00 0.00 0.00 33.01 31.89 3jwo s GLN 1180CO 0.00 -0.35 0.45 0.21 -2.12 0.00 0.00 175.29 173.48 3jwo s LYS 1181N -3.40 0.45 0.11 2.91 2.20 -1.26 -5.02 119.74 115.73 3jwo s LYS 1181Ca 0.65 0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 56.77 3jwo s LYS 1181Cb -0.14 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.12 3jwo s LYS 1181CO 0.21 -0.14 1.69 0.00 -0.36 0.00 0.00 175.35 176.75 3jwo s ALA 1182N 1.27 3.74 -2.59 3.13 0.00 -1.26 -5.29 121.76 120.76 3jwo s ALA 1182Ca -0.08 1.33 0.27 0.00 0.00 0.00 0.00 51.96 53.48 3jwo s ALA 1182Cb -0.07 -3.70 0.89 0.00 0.00 0.00 0.00 23.12 20.24 3jwo s ALA 1182CO -0.12 -1.07 1.66 -1.13 0.00 0.00 0.00 175.76 175.09