#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ny3 s LYS 1002N 0.00 4.28 -0.10 1.64 2.36 -1.26 -4.92 119.74 121.73 2ny3 s LYS 1002Ca 0.00 2.04 0.02 0.00 -2.55 0.00 0.00 55.97 55.47 2ny3 s LYS 1002Cb 0.00 -3.52 -0.01 0.00 -1.05 0.00 0.00 37.83 33.25 2ny3 s LYS 1002CO 0.00 -0.57 -0.16 0.08 1.55 0.00 0.00 175.35 176.25 2ny3 s VAL 1003N 2.19 2.77 -0.11 4.02 1.01 -1.26 -0.83 120.40 128.19 2ny3 s VAL 1003Ca 0.65 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2ny3 s VAL 1003Cb -0.34 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2ny3 s VAL 1003CO 0.28 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 175.06 2ny3 s VAL 1004N 0.13 1.64 -0.09 2.92 1.01 0.49 -4.96 120.40 121.54 2ny3 s VAL 1004Ca -0.08 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 2ny3 s VAL 1004Cb -0.15 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 2ny3 s VAL 1004CO 0.05 0.47 0.25 -0.76 0.00 0.00 0.00 175.10 175.11 2ny3 s LEU 1005N 0.82 4.38 0.29 3.92 1.02 -1.26 -0.76 118.68 127.09 2ny3 s LEU 1005Ca -0.09 0.62 0.07 0.00 0.02 0.00 0.00 54.13 54.75 2ny3 s LEU 1005Cb -0.16 -2.29 -0.06 0.00 0.02 0.00 0.00 46.19 43.70 2ny3 s LEU 1005CO 0.01 0.31 -0.07 -0.83 0.02 0.00 0.00 176.35 175.79 2ny3 s GLY 1006N -0.69 1.87 -0.09 -3.19 0.00 0.98 -4.93 107.32 101.27 2ny3 s GLY 1006Ca 0.18 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 42.98 2ny3 s GLY 1006CO 0.07 -1.87 -0.08 0.54 0.00 0.00 0.00 173.10 171.76 2ny3 s LYS 1007N -3.71 2.97 -0.01 2.90 1.02 -1.26 -1.43 119.74 120.22 2ny3 s LYS 1007Ca 0.30 -0.58 -0.34 0.00 0.02 0.00 0.00 55.97 55.37 2ny3 s LYS 1007Cb 0.03 -2.63 -0.12 0.00 -0.52 0.00 0.00 37.83 34.59 2ny3 s LYS 1007CO 0.12 0.52 1.78 1.17 -0.92 0.00 0.00 175.35 178.03 2ny3 n LYS 1008N 2.65 2.14 0.00 1.68 4.81 0.87 -1.32 118.16 128.99 2ny3 n LYS 1008Ca -0.18 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2ny3 n LYS 1008Cb 0.53 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.98 2ny3 n LYS 1008CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ny3 n GLY 1009N 4.08 2.84 3.95 3.14 0.00 0.22 -4.87 105.19 114.54 2ny3 n GLY 1009Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 2ny3 n GLY 1009CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ny3 s ASP 1010N -1.29 3.41 0.03 1.61 1.11 -0.43 -3.80 116.67 117.30 2ny3 s ASP 1010Ca 0.00 0.09 0.01 0.00 0.18 0.00 0.00 52.55 52.83 2ny3 s ASP 1010Cb 0.00 -0.21 -0.04 0.00 1.07 0.00 0.00 42.92 43.74 2ny3 s ASP 1010CO 0.00 -2.53 0.09 -0.89 1.18 0.00 0.00 175.17 173.02 2ny3 s THR 1011N -3.70 4.69 0.05 -1.27 2.01 -1.26 -1.33 115.64 114.82 2ny3 s THR 1011Ca 0.72 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.22 2ny3 s THR 1011Cb -0.04 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 2ny3 s THR 1011CO 0.51 0.26 -0.10 0.54 -0.69 0.00 0.00 174.62 175.14 2ny3 s VAL 1012N -1.28 0.75 -0.20 3.82 0.11 -0.20 -4.93 120.40 118.47 2ny3 s VAL 1012Ca 0.26 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2ny3 s VAL 1012Cb -0.12 -0.75 0.05 0.00 -1.53 0.00 0.00 36.38 34.02 2ny3 s VAL 1012CO 0.17 -0.25 -0.10 -0.70 -3.33 0.00 0.00 175.10 170.90 2ny3 s GLU 1013N -1.44 1.99 -0.13 1.54 2.12 -1.26 -0.83 118.70 120.68 2ny3 s GLU 1013Ca -0.05 -0.88 -0.16 0.00 0.36 0.00 0.00 54.97 54.24 2ny3 s GLU 1013Cb -0.09 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 2ny3 s GLU 1013CO 0.01 -0.45 0.37 -0.51 -0.54 0.00 0.00 175.26 174.14 2ny3 s LEU 1014N 1.39 4.27 0.08 2.70 1.43 0.63 -4.93 118.68 124.24 2ny3 s LEU 1014Ca -0.02 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 2ny3 s LEU 1014Cb -0.17 -2.52 -0.06 0.00 0.03 0.00 0.00 46.19 43.48 2ny3 s LEU 1014CO -0.08 0.07 0.41 0.42 0.23 0.00 0.00 176.35 177.41 2ny3 s THR 1015N 0.44 5.07 -0.09 5.49 -4.23 -1.26 -0.69 115.64 120.37 2ny3 s THR 1015Ca 0.21 0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 61.19 2ny3 s THR 1015Cb -0.14 -3.66 0.05 0.00 1.34 0.00 0.00 72.50 70.09 2ny3 s THR 1015CO 0.07 0.31 0.19 0.00 -0.54 0.00 0.00 174.62 174.65 2ny3 s THR 1017N 1.74 0.81 0.78 0.00 2.01 -1.26 -0.35 115.64 119.37 2ny3 s THR 1017Ca -0.04 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.62 2ny3 s THR 1017Cb -0.12 -0.78 0.13 0.00 0.01 0.00 0.00 72.50 71.74 2ny3 s THR 1017CO -0.07 0.29 1.09 0.00 -0.69 0.00 0.00 174.62 175.24 2ny3 s ALA 1018N 0.86 3.17 0.26 7.40 0.00 -0.19 -5.00 121.76 128.25 2ny3 s ALA 1018Ca -0.12 -1.40 0.16 0.00 0.00 0.00 0.00 51.96 50.60 2ny3 s ALA 1018Cb -0.15 -2.35 0.65 0.00 0.00 0.00 0.00 23.12 21.27 2ny3 s ALA 1018CO 0.01 -1.69 1.74 0.77 0.00 0.00 0.00 175.76 176.59 2ny3 h SER 1019N -0.85 0.00 -4.37 0.00 0.02 -1.97 -3.46 113.55 102.93 2ny3 h SER 1019Ca -0.40 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.25 2ny3 h SER 1019Cb 1.27 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.64 2ny3 h SER 1019CO 0.44 0.42 -0.72 -1.10 -1.14 0.00 0.00 176.83 174.73 2ny3 s GLN 1020N -3.77 0.87 -1.20 3.45 -0.21 -1.26 -5.07 119.66 112.48 2ny3 s GLN 1020Ca -0.01 -1.25 -0.20 0.00 0.02 0.00 0.00 55.36 53.92 2ny3 s GLN 1020Cb 0.12 -0.45 0.05 0.00 1.00 0.00 0.00 33.01 33.73 2ny3 s GLN 1020CO 0.71 0.05 1.66 0.15 -2.12 0.00 0.00 175.29 175.74 2ny3 s LYS 1021N -3.22 3.76 -0.21 2.91 1.02 -1.26 -4.16 119.74 118.59 2ny3 s LYS 1021Ca 0.09 -1.64 -0.27 0.00 0.02 0.00 0.00 55.97 54.16 2ny3 s LYS 1021Cb 0.00 -5.46 0.10 0.00 -0.52 0.00 0.00 37.83 31.96 2ny3 s LYS 1021CO -0.01 -2.35 0.90 0.21 -0.92 0.00 0.00 175.35 173.18 2ny3 s LYS 1022N 4.63 0.69 -0.27 1.68 2.36 -1.05 -4.64 119.74 123.13 2ny3 s LYS 1022Ca 0.52 0.51 -0.29 0.00 -2.55 0.00 0.00 55.97 54.17 2ny3 s LYS 1022Cb 0.02 0.33 0.01 0.00 -1.05 0.00 0.00 37.83 37.15 2ny3 s LYS 1022CO 0.02 -0.15 1.09 0.45 1.55 0.00 0.00 175.35 178.32 2ny3 s SER 1023N -0.31 6.98 0.43 1.43 0.15 -1.10 -4.01 113.70 117.28 2ny3 s SER 1023Ca -0.01 1.23 0.03 0.00 0.70 0.00 0.00 55.95 57.90 2ny3 s SER 1023Cb -0.03 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.72 2ny3 s SER 1023CO 0.00 -0.80 0.11 0.27 1.20 0.00 0.00 173.24 174.02 2ny3 s ILE 1024N 3.51 0.67 0.06 6.45 -4.36 -1.26 -5.01 121.20 121.26 2ny3 s ILE 1024Ca 0.46 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.55 2ny3 s ILE 1024Cb -0.14 -2.29 -0.06 0.00 1.25 0.00 0.00 42.46 41.22 2ny3 s ILE 1024CO 0.12 0.00 1.24 -1.58 0.24 0.00 0.00 174.94 174.96 2ny3 s GLN 1025N -3.72 4.40 0.11 0.37 2.00 -1.26 -4.95 119.66 116.61 2ny3 s GLN 1025Ca 0.20 1.83 0.02 0.00 -2.00 0.00 0.00 55.36 55.41 2ny3 s GLN 1025Cb 0.02 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.44 2ny3 s GLN 1025CO 0.13 -0.31 -0.06 -0.59 -0.50 0.00 0.00 175.29 173.96 2ny3 s PHE 1026N 1.16 0.97 -0.18 1.67 -0.71 -1.26 -4.28 117.98 115.34 2ny3 s PHE 1026Ca 0.60 -0.91 -0.16 0.00 -1.04 0.00 0.00 56.93 55.42 2ny3 s PHE 1026Cb -0.31 -0.55 0.05 0.00 -1.21 0.00 0.00 43.02 41.00 2ny3 s PHE 1026CO 0.29 -0.13 0.48 -1.58 -1.34 0.00 0.00 175.22 172.93 2ny3 s HIS 1027N -3.60 -0.54 -0.16 3.49 2.46 -0.93 -2.64 115.29 113.37 2ny3 s HIS 1027Ca 0.14 1.29 -0.06 0.00 0.47 0.00 0.00 55.06 56.90 2ny3 s HIS 1027Cb 0.05 0.19 -0.04 0.00 -0.13 0.00 0.00 32.58 32.66 2ny3 s HIS 1027CO -0.03 -0.26 0.05 -1.58 -2.47 0.00 0.00 174.74 170.44 2ny3 s TRP 1028N 0.36 3.24 0.23 3.88 0.52 0.11 -0.73 118.94 126.54 2ny3 s TRP 1028Ca -0.01 0.07 0.07 0.00 0.02 0.00 0.00 56.10 56.25 2ny3 s TRP 1028Cb -0.04 -2.02 -0.05 0.00 -1.15 0.00 0.00 33.47 30.21 2ny3 s TRP 1028CO -0.01 0.20 -0.11 0.15 0.02 0.00 0.00 176.95 177.21 2ny3 s LYS 1029N 0.14 1.41 0.34 4.98 1.02 0.12 -0.49 119.74 127.27 2ny3 s LYS 1029Ca 0.04 -1.66 0.02 0.00 0.02 0.00 0.00 55.97 54.39 2ny3 s LYS 1029Cb -0.12 -1.12 0.06 0.00 -0.52 0.00 0.00 37.83 36.13 2ny3 s LYS 1029CO 0.01 0.13 0.47 0.27 -0.92 0.00 0.00 175.35 175.31 2ny3 n ASN 1030N -0.45 0.86 0.12 2.83 0.23 -0.71 -0.62 115.26 117.52 2ny3 n ASN 1030Ca -0.07 -1.67 0.11 0.00 -0.53 0.00 0.00 54.58 52.42 2ny3 n ASN 1030Cb 0.61 -0.29 0.47 0.00 -2.08 0.00 0.00 39.78 38.50 2ny3 n ASN 1030CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2ny3 n SER 1031N -2.83 0.60 -1.67 0.53 3.41 -0.77 -1.57 113.62 111.33 2ny3 n SER 1031Ca 0.08 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 2ny3 n SER 1031Cb 0.31 -0.78 0.37 0.00 -0.26 0.00 0.00 64.21 63.85 2ny3 n SER 1031CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2ny3 n ASN 1032N -2.16 5.17 0.00 4.04 3.02 -1.26 -4.94 115.26 119.12 2ny3 n ASN 1032Ca 0.02 -2.73 0.00 0.00 -0.03 0.00 0.00 54.58 51.84 2ny3 n ASN 1032Cb 0.22 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 2ny3 n ASN 1032CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ny3 n GLN 1033N 0.73 -1.10 -2.12 3.52 1.13 -0.61 -4.97 117.38 113.96 2ny3 n GLN 1033Ca 0.26 0.28 -0.42 0.00 -1.94 0.00 0.00 57.00 55.18 2ny3 n GLN 1033Cb 1.04 -4.12 -0.03 0.00 0.11 0.00 0.00 30.24 27.24 2ny3 n GLN 1033CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2ny3 s ILE 1034N -1.46 3.13 0.02 5.09 -1.09 -1.26 -4.80 121.20 120.84 2ny3 s ILE 1034Ca 0.00 0.82 -0.30 0.00 -2.23 0.00 0.00 60.65 58.94 2ny3 s ILE 1034Cb 0.00 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.30 2ny3 s ILE 1034CO 0.00 0.07 1.30 -0.54 -1.23 0.00 0.00 174.94 174.54 2ny3 s LYS 1035N 0.98 4.34 -0.22 2.79 1.02 -1.26 -1.73 119.74 125.66 2ny3 s LYS 1035Ca 0.65 1.87 -0.16 0.00 0.02 0.00 0.00 55.97 58.35 2ny3 s LYS 1035Cb -0.38 -3.46 -0.09 0.00 -0.52 0.00 0.00 37.83 33.37 2ny3 s LYS 1035CO 0.31 -0.45 -0.28 -0.89 -0.92 0.00 0.00 175.35 173.12 2ny3 n ILE 1036N 4.36 1.51 -3.59 2.17 2.08 0.36 -3.59 119.36 122.66 2ny3 n ILE 1036Ca 0.11 -0.06 -0.09 0.00 0.56 0.00 0.00 62.75 63.27 2ny3 n ILE 1036Cb 0.45 -2.15 -0.05 0.00 -0.75 0.00 0.00 39.64 37.13 2ny3 n ILE 1036CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2ny3 s LEU 1037N -7.79 -0.32 0.00 1.39 0.20 -1.18 -1.51 118.68 109.46 2ny3 s LEU 1037Ca -0.31 0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.89 2ny3 s LEU 1037Cb 0.08 1.74 0.00 0.00 -0.43 0.00 0.00 46.19 47.58 2ny3 s LEU 1037CO 0.44 -0.28 0.00 0.61 -0.29 0.00 0.00 176.35 176.84 2ny3 n GLY 1038N 0.84 1.47 3.48 7.98 0.00 -0.83 0.04 105.19 118.17 2ny3 n GLY 1038Ca -0.09 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 2ny3 n GLY 1038CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ny3 s ASN 1039N -0.91 3.72 -0.34 1.61 4.22 -1.08 -0.73 114.94 121.43 2ny3 s ASN 1039Ca 0.00 -0.87 0.01 0.00 -2.14 0.00 0.00 52.86 49.86 2ny3 s ASN 1039Cb 0.00 -0.40 0.11 0.00 1.28 0.00 0.00 41.25 42.24 2ny3 s ASN 1039CO 0.00 0.07 0.11 -1.10 -2.04 0.00 0.00 177.10 174.15 2ny3 s GLN 1040N -3.13 1.03 7.92 3.55 -1.52 0.32 -4.66 119.66 123.17 2ny3 s GLN 1040Ca 0.26 -1.47 0.00 0.00 -1.95 0.00 0.00 55.36 52.20 2ny3 s GLN 1040Cb -0.07 -2.38 0.00 0.00 -0.22 0.00 0.00 33.01 30.34 2ny3 s GLN 1040CO 0.14 -1.01 0.00 0.41 -0.25 0.00 0.00 175.29 174.58 2ny3 n GLY 1041N 4.44 3.97 1.31 3.09 0.00 -1.26 -2.24 105.19 114.49 2ny3 n GLY 1041Ca 0.01 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.20 2ny3 n GLY 1041CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ny3 n SER 1042N 9.11 4.12 -4.68 1.61 3.41 -1.26 -4.94 113.62 120.99 2ny3 n SER 1042Ca 0.00 -2.23 -0.32 0.00 -0.26 0.00 0.00 58.87 56.06 2ny3 n SER 1042Cb 0.00 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.37 2ny3 n SER 1042CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2ny3 s PHE 1043N -1.43 3.04 0.10 7.33 0.08 -0.95 -5.12 117.98 121.04 2ny3 s PHE 1043Ca 0.46 0.04 -0.23 0.00 0.12 0.00 0.00 56.93 57.32 2ny3 s PHE 1043Cb 0.27 -1.63 -0.07 0.00 -0.57 0.00 0.00 43.02 41.02 2ny3 s PHE 1043CO 0.26 0.46 0.71 -1.17 -0.10 0.00 0.00 175.22 175.38 2ny3 s LEU 1044N -1.72 4.53 0.16 -0.37 2.96 -1.26 -0.52 118.68 122.45 2ny3 s LEU 1044Ca 0.21 1.46 0.10 0.00 -0.22 0.00 0.00 54.13 55.68 2ny3 s LEU 1044Cb -0.12 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 2ny3 s LEU 1044CO 0.12 0.17 -0.17 0.42 -1.32 0.00 0.00 176.35 175.56 2ny3 s THR 1045N -0.77 2.79 -0.02 3.68 -4.23 0.09 -4.88 115.64 112.30 2ny3 s THR 1045Ca 0.34 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 2ny3 s THR 1045Cb -0.21 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 2ny3 s THR 1045CO 0.23 -0.02 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.62 2ny3 s LYS 1046N -2.49 1.18 0.75 3.99 1.02 -1.26 -1.97 119.74 120.96 2ny3 s LYS 1046Ca 0.21 -0.47 -0.01 0.00 0.02 0.00 0.00 55.97 55.72 2ny3 s LYS 1046Cb -0.09 -1.11 0.15 0.00 -0.52 0.00 0.00 37.83 36.26 2ny3 s LYS 1046CO 0.11 0.25 1.03 0.20 -0.92 0.00 0.00 175.35 176.03 2ny3 s GLY 1047N -0.16 1.75 -0.13 -3.33 0.00 -0.57 -4.94 107.32 99.94 2ny3 s GLY 1047Ca 0.02 -1.87 -0.00 0.00 0.00 0.00 0.00 44.72 42.87 2ny3 s GLY 1047CO 0.00 -1.23 1.85 -1.55 0.00 0.00 0.00 173.10 172.17 2ny3 n PRO 1048N -2.92 1.33 -2.54 2.90 -0.04 -1.24 -4.67 135.00 127.83 2ny3 n PRO 1048Ca 0.17 -0.67 -0.24 0.00 -0.04 0.00 0.00 63.50 62.72 2ny3 n PRO 1048Cb 0.61 -1.26 0.04 0.00 -0.04 0.00 0.00 33.50 32.84 2ny3 n PRO 1048CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ny3 s SER 1049N 1.08 5.41 0.00 3.54 1.04 -1.25 -4.97 113.70 118.56 2ny3 s SER 1049Ca 0.13 0.39 0.17 0.00 0.48 0.00 0.00 55.95 57.12 2ny3 s SER 1049Cb 0.10 -1.35 0.78 0.00 0.10 0.00 0.00 66.02 65.66 2ny3 s SER 1049CO 0.00 -1.11 1.53 0.29 0.98 0.00 0.00 173.24 174.93 2ny3 n LYS 1050N -2.49 0.10 0.00 4.02 5.02 -1.26 -2.28 118.16 121.28 2ny3 n LYS 1050Ca 0.05 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.64 2ny3 n LYS 1050Cb 0.59 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.34 2ny3 n LYS 1050CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ny3 n LEU 1051N -1.41 0.53 -0.18 -0.35 4.32 -1.26 -4.70 117.00 113.95 2ny3 n LEU 1051Ca 0.06 -0.02 -0.05 0.00 -0.02 0.00 0.00 56.01 55.98 2ny3 n LEU 1051Cb 0.17 -0.24 -0.04 0.00 -1.62 0.00 0.00 43.42 41.69 2ny3 n LEU 1051CO 0.15 0.13 0.41 -3.20 -1.22 0.00 0.00 177.39 173.66 2ny3 n ASN 1052N -1.47 -0.45 0.00 -1.43 2.85 -0.96 -0.10 115.26 113.69 2ny3 n ASN 1052Ca 0.06 1.17 0.06 0.00 -0.11 0.00 0.00 54.58 55.76 2ny3 n ASN 1052Cb 0.34 -0.30 0.29 0.00 1.24 0.00 0.00 39.78 41.34 2ny3 n ASN 1052CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2ny3 n ASP 1053N -3.97 0.00 -0.14 1.20 3.85 -1.26 -2.59 116.55 113.64 2ny3 n ASP 1053Ca 0.01 0.28 0.02 0.00 -0.71 0.00 0.00 54.79 54.39 2ny3 n ASP 1053Cb 0.11 -0.38 0.02 0.00 -1.35 0.00 0.00 41.12 39.52 2ny3 n ASP 1053CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2ny3 n ARG 1054N -1.38 -0.04 -4.18 0.11 1.74 0.86 -5.03 116.66 108.73 2ny3 n ARG 1054Ca 0.05 -0.83 -0.34 0.00 -0.77 0.00 0.00 57.85 55.95 2ny3 n ARG 1054Cb 0.12 -1.07 -0.08 0.00 -1.02 0.00 0.00 32.46 30.41 2ny3 n ARG 1054CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ny3 s ALA 1055N -0.38 3.48 0.24 7.54 0.00 -0.38 -1.47 121.76 130.79 2ny3 s ALA 1055Ca 0.04 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 2ny3 s ALA 1055Cb 0.03 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.61 2ny3 s ALA 1055CO 0.04 0.65 0.55 0.34 0.00 0.00 0.00 175.76 177.34 2ny3 s ASP 1056N -1.40 -0.19 0.00 0.00 2.15 -0.04 -4.97 116.67 112.21 2ny3 s ASP 1056Ca 0.19 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.48 2ny3 s ASP 1056Cb -0.12 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.12 2ny3 s ASP 1056CO 0.09 -1.16 0.00 -0.24 -0.17 0.00 0.00 175.17 173.69 2ny3 n SER 1057N -0.39 1.85 -3.65 -0.34 2.88 -1.26 -0.26 113.62 112.45 2ny3 n SER 1057Ca -0.05 -0.42 -0.29 0.00 -1.33 0.00 0.00 58.87 56.78 2ny3 n SER 1057Cb 0.61 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.95 2ny3 n SER 1057CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2ny3 s ARG 1058N -0.17 1.21 0.63 -1.46 3.52 -1.26 -4.88 118.95 116.55 2ny3 s ARG 1058Ca 0.00 -2.02 0.39 0.00 -0.13 0.00 0.00 55.73 53.98 2ny3 s ARG 1058Cb 0.00 -2.14 2.17 0.00 -1.56 0.00 0.00 34.95 33.42 2ny3 s ARG 1058CO 0.00 -1.21 2.31 0.07 -0.81 0.00 0.00 175.30 175.66 2ny3 h ARG 1059N 6.53 0.00 0.00 5.12 0.11 -1.97 -0.53 114.38 123.65 2ny3 h ARG 1059Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2ny3 h ARG 1059Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2ny3 h ARG 1059CO 0.45 0.01 0.00 -1.13 0.10 0.00 0.00 179.97 179.40 2ny3 n SER 1060N -3.30 0.00 -0.03 0.08 3.41 -1.26 -2.06 113.62 110.46 2ny3 n SER 1060Ca -0.03 0.16 0.06 0.00 -0.26 0.00 0.00 58.87 58.81 2ny3 n SER 1060Cb 0.10 -0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 63.66 2ny3 n SER 1060CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ny3 n LEU 1061N -1.32 0.67 -0.23 1.04 4.77 -0.21 -4.65 117.00 117.08 2ny3 n LEU 1061Ca 0.06 -0.52 -0.01 0.00 -0.03 0.00 0.00 56.01 55.50 2ny3 n LEU 1061Cb 0.11 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2ny3 n LEU 1061CO 0.11 0.16 1.08 -0.50 -1.33 0.00 0.00 177.39 176.91 2ny3 h TRP 1062N 0.13 0.66 0.00 -1.77 4.06 -1.36 -0.14 115.95 117.52 2ny3 h TRP 1062Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2ny3 h TRP 1062Cb 0.31 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 2ny3 h TRP 1062CO 0.00 0.31 0.00 -0.25 -3.56 0.00 0.00 178.44 174.94 2ny3 n ASP 1063N -4.80 0.36 -1.10 -3.49 8.00 -1.26 -1.49 116.55 112.77 2ny3 n ASP 1063Ca 0.09 0.61 0.12 0.00 0.71 0.00 0.00 54.79 56.32 2ny3 n ASP 1063Cb 0.19 -0.68 0.21 0.00 -0.02 0.00 0.00 41.12 40.81 2ny3 n ASP 1063CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ny3 n GLN 1064N -1.92 2.45 -1.41 -1.24 3.00 -0.11 -2.54 117.38 115.62 2ny3 n GLN 1064Ca 0.02 -2.18 -0.03 0.00 -0.01 0.00 0.00 57.00 54.80 2ny3 n GLN 1064Cb 0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 28.88 2ny3 n GLN 1064CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ny3 n GLY 1065N 1.47 0.48 3.27 1.08 0.00 -0.55 -4.40 105.19 106.53 2ny3 n GLY 1065Ca 0.18 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 2ny3 n GLY 1065CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ny3 s ASN 1066N -2.94 3.55 -0.49 1.61 0.01 -0.93 -1.03 114.94 114.73 2ny3 s ASN 1066Ca 0.00 -0.47 0.07 0.00 -0.71 0.00 0.00 52.86 51.75 2ny3 s ASN 1066Cb 0.00 -1.53 0.27 0.00 0.41 0.00 0.00 41.25 40.40 2ny3 s ASN 1066CO 0.00 0.12 0.65 0.49 -1.51 0.00 0.00 177.10 176.85 2ny3 n PHE 1067N 3.80 1.37 -2.41 2.20 3.01 0.53 -3.16 117.46 122.81 2ny3 n PHE 1067Ca -0.19 -3.82 -0.34 0.00 1.01 0.00 0.00 57.45 54.11 2ny3 n PHE 1067Cb 0.52 -0.44 -0.02 0.00 -0.01 0.00 0.00 39.48 39.53 2ny3 n PHE 1067CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2ny3 s PRO 1068N -1.91 3.65 -0.37 -1.08 0.04 -1.26 -4.18 135.00 129.90 2ny3 s PRO 1068Ca 0.38 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 2ny3 s PRO 1068Cb 0.19 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.67 2ny3 s PRO 1068CO -0.07 -0.55 0.23 -1.17 0.04 0.00 0.00 177.00 175.47 2ny3 s LEU 1069N -3.72 4.69 -0.23 -3.56 0.20 0.14 -4.31 118.68 111.88 2ny3 s LEU 1069Ca 0.67 -0.77 -0.08 0.00 0.69 0.00 0.00 54.13 54.65 2ny3 s LEU 1069Cb -0.17 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 2ny3 s LEU 1069CO 0.24 -0.34 0.08 -0.63 -0.29 0.00 0.00 176.35 175.42 2ny3 s ILE 1070N 1.64 4.61 -0.21 6.68 1.01 0.64 -0.27 121.20 135.29 2ny3 s ILE 1070Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.62 2ny3 s ILE 1070Cb -0.18 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 39.18 2ny3 s ILE 1070CO 0.08 0.36 -0.14 -0.63 0.00 0.00 0.00 174.94 174.61 2ny3 s ILE 1071N 1.23 2.30 0.40 2.92 1.01 -0.01 -0.86 121.20 128.19 2ny3 s ILE 1071Ca 0.05 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.62 2ny3 s ILE 1071Cb -0.14 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2ny3 s ILE 1071CO 0.04 0.33 0.59 -1.59 0.00 0.00 0.00 174.94 174.31 2ny3 s LYS 1072N 1.26 3.14 -1.30 2.79 -2.85 -0.54 -1.03 119.74 121.21 2ny3 s LYS 1072Ca 0.01 -0.62 -0.18 0.00 -1.00 0.00 0.00 55.97 54.18 2ny3 s LYS 1072Cb -0.15 -2.65 0.01 0.00 -2.06 0.00 0.00 37.83 32.98 2ny3 s LYS 1072CO -0.09 -0.11 0.53 -1.71 0.10 0.00 0.00 175.35 174.07 2ny3 n ASN 1073N -1.91 -2.72 -4.66 0.03 4.05 -0.99 -4.80 115.26 104.27 2ny3 n ASN 1073Ca -0.00 -1.16 -0.44 0.00 0.45 0.00 0.00 54.58 53.43 2ny3 n ASN 1073Cb 0.58 -2.40 -0.02 0.00 1.23 0.00 0.00 39.78 39.17 2ny3 n ASN 1073CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2ny3 n LEU 1074N -4.61 2.91 -4.62 1.20 4.77 -0.44 -4.53 117.00 111.68 2ny3 n LEU 1074Ca -0.19 1.18 -0.27 0.00 -0.03 0.00 0.00 56.01 56.70 2ny3 n LEU 1074Cb 0.62 -1.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.22 2ny3 n LEU 1074CO 0.75 -0.73 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.16 2ny3 s LYS 1075N -1.24 2.23 0.32 3.23 1.02 -1.26 -0.61 119.74 123.44 2ny3 s LYS 1075Ca 0.61 -1.15 0.05 0.00 0.02 0.00 0.00 55.97 55.50 2ny3 s LYS 1075Cb -0.64 -2.28 0.70 0.00 -0.52 0.00 0.00 37.83 35.09 2ny3 s LYS 1075CO 0.57 0.46 1.85 0.82 -0.92 0.00 0.00 175.35 178.13 2ny3 h ILE 1076N 2.69 0.87 0.00 2.17 1.08 -1.95 -0.91 117.51 121.46 2ny3 h ILE 1076Ca -0.47 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 2ny3 h ILE 1076Cb 1.20 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 2ny3 h ILE 1076CO 0.56 0.15 0.00 -1.84 -0.69 0.00 0.00 178.15 176.33 2ny3 n GLU 1077N -4.59 0.30 0.14 2.37 0.00 -1.26 -2.28 120.64 115.32 2ny3 n GLU 1077Ca 0.18 0.05 0.12 0.00 0.00 0.00 0.00 57.16 57.51 2ny3 n GLU 1077Cb 0.42 -1.50 0.50 0.00 0.00 0.00 0.00 31.44 30.86 2ny3 n GLU 1077CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ny3 n ASP 1078N -1.32 0.70 -4.67 -1.84 8.00 -0.34 -4.76 116.55 112.31 2ny3 n ASP 1078Ca 0.11 0.67 -0.44 0.00 0.71 0.00 0.00 54.79 55.85 2ny3 n ASP 1078Cb 0.21 -0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 2ny3 n ASP 1078CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2ny3 n SER 1079N -2.28 3.94 -3.53 -2.24 7.64 -0.97 -4.90 113.62 111.28 2ny3 n SER 1079Ca 0.02 0.95 -0.01 0.00 1.01 0.00 0.00 58.87 60.84 2ny3 n SER 1079Cb 0.23 -1.50 0.02 0.00 -1.01 0.00 0.00 64.21 61.95 2ny3 n SER 1079CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ny3 s ASP 1080N 3.64 0.01 -0.21 6.43 -1.08 -0.88 -5.00 116.67 119.59 2ny3 s ASP 1080Ca 0.87 -0.50 -0.09 0.00 -0.52 0.00 0.00 52.55 52.30 2ny3 s ASP 1080Cb -0.51 0.36 -0.05 0.00 -1.46 0.00 0.00 42.92 41.26 2ny3 s ASP 1080CO 0.42 -0.72 0.12 -0.89 0.52 0.00 0.00 175.17 174.63 2ny3 s THR 1081N -2.05 5.20 -0.05 1.71 2.01 -1.26 -0.23 115.64 120.97 2ny3 s THR 1081Ca 0.26 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.40 2ny3 s THR 1081Cb -0.02 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 2ny3 s THR 1081CO 0.03 0.40 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.95 2ny3 s TYR 1082N 0.69 2.81 -0.11 4.92 1.51 0.76 -1.84 117.35 126.09 2ny3 s TYR 1082Ca 0.07 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 2ny3 s TYR 1082Cb -0.12 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 2ny3 s TYR 1082CO 0.01 0.27 -0.18 0.42 -1.11 0.00 0.00 175.55 174.96 2ny3 s ILE 1083N -0.80 1.71 -0.28 2.71 1.09 0.21 -0.89 121.20 124.96 2ny3 s ILE 1083Ca 0.13 -0.78 -0.10 0.00 -1.10 0.00 0.00 60.65 58.80 2ny3 s ILE 1083Cb -0.11 -1.53 -0.03 0.00 -1.06 0.00 0.00 42.46 39.73 2ny3 s ILE 1083CO 0.02 0.48 0.14 0.00 -0.10 0.00 0.00 174.94 175.48 2ny3 s GLU 1085N 1.68 3.38 -0.06 0.00 2.02 0.09 -1.65 118.70 124.16 2ny3 s GLU 1085Ca 0.06 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.28 2ny3 s GLU 1085Cb -0.16 -3.85 0.02 0.00 0.10 0.00 0.00 34.13 30.24 2ny3 s GLU 1085CO 0.07 -0.51 0.15 0.54 0.02 0.00 0.00 175.26 175.53 2ny3 s VAL 1086N 1.71 -0.01 -1.40 2.63 0.11 -0.64 -2.20 120.40 120.60 2ny3 s VAL 1086Ca 0.06 0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 59.00 2ny3 s VAL 1086Cb -0.18 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 2ny3 s VAL 1086CO 0.10 0.02 0.30 -1.84 -3.33 0.00 0.00 175.10 170.35 2ny3 n GLU 1087N 3.30 -0.68 -0.93 1.54 0.28 -1.26 -1.04 120.64 121.85 2ny3 n GLU 1087Ca -0.16 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 2ny3 n GLU 1087Cb 0.57 -3.13 0.00 0.00 1.43 0.00 0.00 31.44 30.31 2ny3 n GLU 1087CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ny3 n ASP 1088N -2.57 -4.13 -4.63 -1.84 4.64 -1.26 -4.96 116.55 101.79 2ny3 n ASP 1088Ca -0.23 0.00 -0.23 0.00 -1.38 0.00 0.00 54.79 52.94 2ny3 n ASP 1088Cb 0.64 -2.51 -0.07 0.00 -1.04 0.00 0.00 41.12 38.14 2ny3 n ASP 1088CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 2ny3 s GLN 1089N -1.31 2.26 -0.16 -0.67 -0.21 -0.21 -5.13 119.66 114.24 2ny3 s GLN 1089Ca 0.00 -1.42 -0.01 0.00 0.02 0.00 0.00 55.36 53.96 2ny3 s GLN 1089Cb 0.00 -2.15 0.04 0.00 1.00 0.00 0.00 33.01 31.90 2ny3 s GLN 1089CO 0.00 0.37 -0.04 0.15 -2.12 0.00 0.00 175.29 173.65 2ny3 s LYS 1090N -3.61 1.32 -0.19 2.91 1.02 -1.26 -1.62 119.74 118.31 2ny3 s LYS 1090Ca 0.31 -0.48 -0.07 0.00 0.02 0.00 0.00 55.97 55.75 2ny3 s LYS 1090Cb -0.07 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 2ny3 s LYS 1090CO 0.19 -0.44 0.07 -1.83 -0.92 0.00 0.00 175.35 172.42 2ny3 s GLU 1091N 1.67 3.94 -0.05 1.68 4.04 -0.66 -4.95 118.70 124.37 2ny3 s GLU 1091Ca 0.01 -0.36 0.03 0.00 0.04 0.00 0.00 54.97 54.69 2ny3 s GLU 1091Cb -0.15 -3.24 -0.03 0.00 0.02 0.00 0.00 34.13 30.73 2ny3 s GLU 1091CO -0.08 0.21 -0.11 -2.00 -1.84 0.00 0.00 175.26 171.44 2ny3 s GLU 1092N 0.54 2.57 -0.08 -4.83 2.12 -1.26 -1.15 118.70 116.62 2ny3 s GLU 1092Ca 0.03 -0.66 -0.03 0.00 0.36 0.00 0.00 54.97 54.67 2ny3 s GLU 1092Cb -0.13 -2.46 0.04 0.00 0.26 0.00 0.00 34.13 31.85 2ny3 s GLU 1092CO 0.01 0.63 0.17 0.54 -0.54 0.00 0.00 175.26 176.07 2ny3 s VAL 1093N -0.80 -0.10 -0.20 3.70 0.11 -0.06 -4.19 120.40 118.86 2ny3 s VAL 1093Ca 0.12 0.21 -0.19 0.00 -2.93 0.00 0.00 61.98 59.19 2ny3 s VAL 1093Cb -0.11 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2ny3 s VAL 1093CO 0.02 0.09 0.56 -1.58 -3.33 0.00 0.00 175.10 170.85 2ny3 s GLN 1094N 1.42 4.19 -0.22 1.54 0.74 -0.01 -0.17 119.66 127.15 2ny3 s GLN 1094Ca -0.07 0.48 -0.08 0.00 0.05 0.00 0.00 55.36 55.74 2ny3 s GLN 1094Cb -0.11 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 2ny3 s GLN 1094CO -0.07 -0.20 0.10 -1.17 -0.55 0.00 0.00 175.29 173.40 2ny3 s LEU 1095N 1.80 3.83 -0.20 3.68 2.96 0.67 -0.38 118.68 131.05 2ny3 s LEU 1095Ca 0.26 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 2ny3 s LEU 1095Cb -0.16 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.56 2ny3 s LEU 1095CO 0.10 0.09 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.28 2ny3 s LEU 1096N 0.90 2.39 -0.17 -0.68 1.43 0.06 -2.06 118.68 120.55 2ny3 s LEU 1096Ca 0.05 -0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 52.30 2ny3 s LEU 1096Cb -0.13 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2ny3 s LEU 1096CO 0.03 -0.04 0.06 -0.69 0.23 0.00 0.00 176.35 175.95 2ny3 s VAL 1097N 1.26 4.81 0.16 -1.59 1.01 -1.26 -0.01 120.40 124.78 2ny3 s VAL 1097Ca 0.03 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.07 2ny3 s VAL 1097Cb -0.14 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2ny3 s VAL 1097CO -0.11 0.48 -0.21 -0.36 0.00 0.00 0.00 175.10 174.90 2ny3 s PHE 1098N 0.19 1.99 0.01 5.22 0.08 -0.51 -4.15 117.98 120.81 2ny3 s PHE 1098Ca 0.04 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 56.71 2ny3 s PHE 1098Cb -0.12 -1.02 -0.01 0.00 -0.57 0.00 0.00 43.02 41.30 2ny3 s PHE 1098CO 0.00 0.35 -0.09 0.20 -0.10 0.00 0.00 175.22 175.58 2ny3 s GLY 1099N -2.45 0.51 -0.07 4.36 0.00 -0.40 -0.09 107.32 109.18 2ny3 s GLY 1099Ca 0.15 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 2ny3 s GLY 1099CO 0.07 -0.51 -0.00 -2.27 0.00 0.00 0.00 173.10 170.39 2ny3 s LEU 1100N -0.69 0.61 0.09 0.66 0.20 -1.26 0.58 118.68 118.88 2ny3 s LEU 1100Ca 0.00 -0.09 0.05 0.00 0.69 0.00 0.00 54.13 54.78 2ny3 s LEU 1100Cb -0.06 -0.45 -0.03 0.00 -0.43 0.00 0.00 46.19 45.22 2ny3 s LEU 1100CO 0.00 -0.19 -0.13 0.42 -0.29 0.00 0.00 176.35 176.16 2ny3 s THR 1101N 1.95 1.16 0.35 3.68 -4.23 -0.79 -4.96 115.64 112.79 2ny3 s THR 1101Ca 0.05 -1.49 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 2ny3 s THR 1101Cb -0.12 -1.26 -0.06 0.00 1.34 0.00 0.00 72.50 72.39 2ny3 s THR 1101CO -0.05 -0.34 0.68 0.00 -0.54 0.00 0.00 174.62 174.36 2ny3 s ALA 1102N -1.74 3.46 0.38 3.99 0.00 -1.26 -0.54 121.76 126.05 2ny3 s ALA 1102Ca 0.03 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.74 2ny3 s ALA 1102Cb -0.07 -2.55 0.79 0.00 0.00 0.00 0.00 23.12 21.30 2ny3 s ALA 1102CO 0.02 0.14 1.98 -2.95 0.00 0.00 0.00 175.76 174.95 2ny3 h ASN 1103N 1.57 0.59 -3.81 0.00 -1.07 -1.18 -3.42 115.58 108.26 2ny3 h ASN 1103Ca -0.47 -0.00 -0.44 0.00 0.07 0.00 0.00 56.30 55.46 2ny3 h ASN 1103Cb 1.19 -0.13 -0.31 0.00 -2.07 0.00 0.00 38.32 37.00 2ny3 h ASN 1103CO 0.65 0.39 -0.79 -0.94 0.07 0.00 0.00 177.43 176.81 2ny3 s SER 1104N -6.31 1.29 0.00 6.14 1.04 -1.26 -4.99 113.70 109.61 2ny3 s SER 1104Ca -0.09 -0.20 0.25 0.00 0.48 0.00 0.00 55.95 56.39 2ny3 s SER 1104Cb 0.19 -0.36 0.49 0.00 0.10 0.00 0.00 66.02 66.44 2ny3 s SER 1104CO 0.76 0.07 1.40 -0.90 0.98 0.00 0.00 173.24 175.55 2ny3 n ASP 1105N 3.30 0.63 -4.92 7.02 3.85 -1.26 -4.91 116.55 120.27 2ny3 n ASP 1105Ca -0.18 -0.42 -0.27 0.00 -0.71 0.00 0.00 54.79 53.21 2ny3 n ASP 1105Cb 0.54 0.28 0.04 0.00 -1.35 0.00 0.00 41.12 40.63 2ny3 n ASP 1105CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2ny3 s THR 1106N -2.91 3.52 0.44 2.12 -4.23 -1.26 -4.98 115.64 108.33 2ny3 s THR 1106Ca 0.13 0.02 -0.23 0.00 -1.18 0.00 0.00 61.69 60.43 2ny3 s THR 1106Cb 0.18 -3.42 -0.08 0.00 1.34 0.00 0.00 72.50 70.52 2ny3 s THR 1106CO 0.68 -0.44 1.16 -1.00 -0.54 0.00 0.00 174.62 174.48 2ny3 s HIS 1107N -3.05 2.94 0.30 3.99 3.76 -1.26 -4.80 115.29 117.18 2ny3 s HIS 1107Ca 0.55 1.55 0.08 0.00 -0.15 0.00 0.00 55.06 57.09 2ny3 s HIS 1107Cb -0.11 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.19 2ny3 s HIS 1107CO 0.46 -1.39 0.12 -0.51 -0.85 0.00 0.00 174.74 172.56 2ny3 s LEU 1108N -2.91 3.35 0.19 0.89 1.43 0.33 -4.98 118.68 116.98 2ny3 s LEU 1108Ca 0.62 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2ny3 s LEU 1108Cb -0.28 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2ny3 s LEU 1108CO 0.35 -0.17 0.38 -0.76 0.23 0.00 0.00 176.35 176.38 2ny3 s LEU 1109N -3.80 4.23 0.30 1.79 1.02 -1.26 -0.86 118.68 120.10 2ny3 s LEU 1109Ca 0.35 0.41 -0.30 0.00 0.02 0.00 0.00 54.13 54.61 2ny3 s LEU 1109Cb -0.05 -3.17 -0.12 0.00 0.02 0.00 0.00 46.19 42.87 2ny3 s LEU 1109CO 0.22 -0.03 1.47 0.00 0.02 0.00 0.00 176.35 178.03 2ny3 n GLN 1110N -0.58 2.41 0.00 1.70 6.02 -1.26 -1.71 117.38 123.97 2ny3 n GLN 1110Ca -0.05 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 2ny3 n GLN 1110Cb 0.54 -2.55 0.00 0.00 1.02 0.00 0.00 30.24 29.24 2ny3 n GLN 1110CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ny3 n GLY 1111N 1.60 1.96 3.91 1.08 0.00 0.30 -4.92 105.19 109.13 2ny3 n GLY 1111Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2ny3 n GLY 1111CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ny3 s GLN 1112N -0.42 3.04 0.25 1.61 -0.21 -0.69 -4.40 119.66 118.85 2ny3 s GLN 1112Ca 0.00 0.06 -0.08 0.00 0.02 0.00 0.00 55.36 55.36 2ny3 s GLN 1112Cb 0.00 -2.28 -0.06 0.00 1.00 0.00 0.00 33.01 31.67 2ny3 s GLN 1112CO 0.00 -0.62 0.55 -1.12 -2.12 0.00 0.00 175.29 171.98 2ny3 s SER 1113N -4.27 6.56 -0.07 5.90 0.01 -1.21 -0.25 113.70 120.37 2ny3 s SER 1113Ca 0.53 0.85 0.03 0.00 1.31 0.00 0.00 55.95 58.67 2ny3 s SER 1113Cb -0.11 -2.20 0.01 0.00 0.21 0.00 0.00 66.02 63.93 2ny3 s SER 1113CO 0.46 -0.12 -0.16 -0.22 0.41 0.00 0.00 173.24 173.60 2ny3 s LEU 1114N -3.09 1.82 -0.12 2.44 2.96 -0.38 -4.95 118.68 117.36 2ny3 s LEU 1114Ca 0.46 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 2ny3 s LEU 1114Cb -0.11 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.58 2ny3 s LEU 1114CO 0.25 0.09 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.32 2ny3 s THR 1115N 0.44 1.57 -0.12 3.68 2.01 -1.26 -0.54 115.64 121.43 2ny3 s THR 1115Ca -0.13 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 2ny3 s THR 1115Cb -0.15 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2ny3 s THR 1115CO 0.05 0.46 0.00 -0.76 -0.69 0.00 0.00 174.62 173.67 2ny3 s LEU 1116N 1.00 3.53 -0.14 4.42 1.43 0.11 -0.49 118.68 128.54 2ny3 s LEU 1116Ca -0.06 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2ny3 s LEU 1116Cb -0.15 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 2ny3 s LEU 1116CO -0.02 0.30 -0.17 -0.89 0.23 0.00 0.00 176.35 175.80 2ny3 s THR 1117N -0.40 2.57 -0.28 5.49 2.01 0.30 -1.19 115.64 124.15 2ny3 s THR 1117Ca 0.07 -0.81 -0.19 0.00 0.31 0.00 0.00 61.69 61.07 2ny3 s THR 1117Cb -0.12 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 2ny3 s THR 1117CO 0.02 0.52 0.57 -0.22 -0.69 0.00 0.00 174.62 174.82 2ny3 s LEU 1118N 0.71 4.09 -0.16 4.42 2.96 0.84 -1.89 118.68 129.66 2ny3 s LEU 1118Ca -0.08 0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 54.14 2ny3 s LEU 1118Cb -0.16 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 2ny3 s LEU 1118CO 0.01 -0.36 0.57 -0.70 -1.32 0.00 0.00 176.35 174.55 2ny3 s GLU 1119N 2.43 4.28 0.06 1.98 2.12 0.20 -4.89 118.70 124.88 2ny3 s GLU 1119Ca 0.23 0.56 0.00 0.00 0.36 0.00 0.00 54.97 56.12 2ny3 s GLU 1119Cb -0.15 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 2ny3 s GLU 1119CO 0.10 -0.06 -0.05 -1.54 -0.54 0.00 0.00 175.26 173.18 2ny3 s SER 1120N 0.96 0.71 0.57 -1.70 1.04 -1.26 -1.27 113.70 112.76 2ny3 s SER 1120Ca 0.28 -0.91 -0.14 0.00 0.48 0.00 0.00 55.95 55.66 2ny3 s SER 1120Cb -0.16 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.05 2ny3 s SER 1120CO 0.11 -0.49 1.01 -2.16 0.98 0.00 0.00 173.24 172.70 2ny3 s PRO 1121N -3.43 3.70 0.04 4.02 0.04 -1.26 -4.98 135.00 133.13 2ny3 s PRO 1121Ca 0.05 0.89 -0.34 0.00 0.04 0.00 0.00 61.00 61.64 2ny3 s PRO 1121Cb 0.04 -2.10 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 2ny3 s PRO 1121CO -0.06 -0.48 1.70 -2.30 0.04 0.00 0.00 177.00 175.89 2ny3 n PRO 1122N -2.17 2.08 -0.16 0.56 -0.02 -1.26 -2.91 135.00 131.12 2ny3 n PRO 1122Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2ny3 n PRO 1122Cb 0.54 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2ny3 n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ny3 n GLY 1123N 3.81 0.86 3.89 -1.23 0.00 -1.26 -5.08 105.19 106.17 2ny3 n GLY 1123Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2ny3 n GLY 1123CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ny3 s SER 1124N -2.19 6.42 -0.69 1.61 1.04 -1.15 -5.05 113.70 113.70 2ny3 s SER 1124Ca 0.00 0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.95 2ny3 s SER 1124Cb 0.00 -2.06 0.22 0.00 0.10 0.00 0.00 66.02 64.28 2ny3 s SER 1124CO 0.00 0.33 0.67 -1.20 0.98 0.00 0.00 173.24 174.02 2ny3 n SER 1125N 1.48 3.58 -4.85 7.02 7.64 -1.26 -4.99 113.62 122.23 2ny3 n SER 1125Ca -0.15 -3.35 -0.35 0.00 1.01 0.00 0.00 58.87 56.03 2ny3 n SER 1125Cb 0.54 -0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 62.94 2ny3 n SER 1125CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ny3 s PRO 1126N -2.06 3.92 0.03 1.43 0.04 -1.26 -4.84 135.00 132.26 2ny3 s PRO 1126Ca 0.33 0.41 0.03 0.00 0.04 0.00 0.00 61.00 61.82 2ny3 s PRO 1126Cb 0.06 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 2ny3 s PRO 1126CO -0.07 0.49 -0.04 -1.54 0.04 0.00 0.00 177.00 175.87 2ny3 s SER 1127N -1.76 4.83 0.02 6.66 1.04 -0.74 -4.59 113.70 119.16 2ny3 s SER 1127Ca 0.37 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.73 2ny3 s SER 1127Cb -0.15 -1.16 -0.02 0.00 0.10 0.00 0.00 66.02 64.80 2ny3 s SER 1127CO 0.19 0.25 -0.19 -0.69 0.98 0.00 0.00 173.24 173.79 2ny3 s VAL 1128N -1.10 1.48 -0.05 5.02 1.01 0.16 -0.46 120.40 126.46 2ny3 s VAL 1128Ca 0.20 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2ny3 s VAL 1128Cb -0.11 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.01 2ny3 s VAL 1128CO 0.11 0.24 -0.00 -1.58 0.00 0.00 0.00 175.10 173.87 2ny3 s GLN 1129N -0.90 0.47 0.08 2.72 0.74 -0.50 -1.27 119.66 121.00 2ny3 s GLN 1129Ca 0.06 0.09 0.09 0.00 0.05 0.00 0.00 55.36 55.65 2ny3 s GLN 1129Cb -0.08 -0.73 -0.03 0.00 1.10 0.00 0.00 33.01 33.26 2ny3 s GLN 1129CO 0.01 -0.21 -0.23 0.00 -0.55 0.00 0.00 175.29 174.31 2ny3 s ARG 1131N -1.65 0.70 0.66 0.00 3.52 0.05 -1.53 118.95 120.71 2ny3 s ARG 1131Ca 0.14 -0.05 -0.07 0.00 -0.13 0.00 0.00 55.73 55.62 2ny3 s ARG 1131Cb -0.10 -0.78 0.03 0.00 -1.56 0.00 0.00 34.95 32.54 2ny3 s ARG 1131CO 0.05 -0.11 0.99 -1.54 -0.81 0.00 0.00 175.30 173.88 2ny3 s SER 1132N 1.04 5.22 0.50 -2.12 1.04 -0.38 -1.07 113.70 117.95 2ny3 s SER 1132Ca -0.09 0.68 0.23 0.00 0.48 0.00 0.00 55.95 57.25 2ny3 s SER 1132Cb -0.14 -1.49 1.31 0.00 0.10 0.00 0.00 66.02 65.80 2ny3 s SER 1132CO -0.01 -1.35 1.97 -0.65 0.98 0.00 0.00 173.24 174.19 2ny3 h PRO 1133N -0.45 0.10 0.00 4.02 0.11 -1.79 -0.63 132.00 133.36 2ny3 h PRO 1133Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ny3 h PRO 1133Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ny3 h PRO 1133CO 0.61 0.07 -0.19 2.89 -0.21 0.00 0.00 178.00 181.17 2ny3 n ARG 1134N -4.40 0.06 0.00 1.05 1.85 -1.20 -4.92 116.66 109.10 2ny3 n ARG 1134Ca 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 2ny3 n ARG 1134Cb 0.60 -1.55 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 2ny3 n ARG 1134CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ny3 n GLY 1135N 1.46 0.76 3.67 2.89 0.00 -0.24 -5.06 105.19 108.66 2ny3 n GLY 1135Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2ny3 n GLY 1135CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ny3 s LYS 1136N -0.81 4.15 -0.13 1.61 2.47 -1.26 -4.73 119.74 121.04 2ny3 s LYS 1136Ca 0.00 2.51 -0.04 0.00 -1.56 0.00 0.00 55.97 56.88 2ny3 s LYS 1136Cb 0.00 -3.91 -0.03 0.00 -1.46 0.00 0.00 37.83 32.42 2ny3 s LYS 1136CO 0.00 -0.88 -0.01 -0.80 0.16 0.00 0.00 175.35 173.82 2ny3 s ASN 1137N 3.56 5.11 0.00 1.43 0.02 -1.26 -1.24 114.94 122.56 2ny3 s ASN 1137Ca 0.82 0.01 0.03 0.00 -1.02 0.00 0.00 52.86 52.71 2ny3 s ASN 1137Cb -0.42 -1.69 -0.01 0.00 0.02 0.00 0.00 41.25 39.15 2ny3 s ASN 1137CO 0.37 0.25 -0.11 0.27 0.02 0.00 0.00 177.10 177.90 2ny3 s ILE 1138N -0.12 0.84 0.10 0.60 -4.36 -0.58 -5.01 121.20 112.67 2ny3 s ILE 1138Ca 0.04 -0.56 0.07 0.00 -0.26 0.00 0.00 60.65 59.94 2ny3 s ILE 1138Cb -0.13 -0.73 -0.03 0.00 1.25 0.00 0.00 42.46 42.82 2ny3 s ILE 1138CO 0.02 0.16 -0.18 -1.10 0.24 0.00 0.00 174.94 174.08 2ny3 s GLN 1139N -0.45 1.01 0.00 0.37 1.11 -1.26 -0.73 119.66 119.71 2ny3 s GLN 1139Ca 0.03 -1.10 0.00 0.00 0.01 0.00 0.00 55.36 54.29 2ny3 s GLN 1139Cb -0.05 -1.16 0.00 0.00 -1.01 0.00 0.00 33.01 30.80 2ny3 s GLN 1139CO -0.00 0.26 0.00 0.41 0.01 0.00 0.00 175.29 175.97 2ny3 n GLY 1140N 1.08 1.35 1.04 3.09 0.00 -0.39 -4.91 105.19 106.45 2ny3 n GLY 1140Ca -0.20 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2ny3 n GLY 1140CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ny3 n GLY 1141N 0.00 -0.01 0.00 -0.02 0.00 -1.26 -0.66 105.19 103.24 2ny3 n GLY 1141Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ny3 n GLY 1141CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ny3 n LYS 1142N -3.06 0.42 -4.85 1.61 3.00 -1.26 -4.60 118.16 109.42 2ny3 n LYS 1142Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 2ny3 n LYS 1142Cb 0.41 -0.92 -0.16 0.00 0.00 0.00 0.00 35.03 34.36 2ny3 n LYS 1142CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2ny3 s THR 1143N -1.84 1.47 -0.07 3.15 2.01 -1.26 -0.11 115.64 118.99 2ny3 s THR 1143Ca 0.00 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.31 2ny3 s THR 1143Cb 0.00 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.25 2ny3 s THR 1143CO 0.00 0.42 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.44 2ny3 s LEU 1144N 0.17 1.78 -0.01 4.42 1.02 -0.33 -4.71 118.68 121.02 2ny3 s LEU 1144Ca -0.07 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 53.75 2ny3 s LEU 1144Cb -0.13 -0.95 -0.01 0.00 0.02 0.00 0.00 46.19 45.12 2ny3 s LEU 1144CO 0.03 0.08 -0.08 -0.55 0.02 0.00 0.00 176.35 175.85 2ny3 s SER 1145N 0.48 0.99 -0.18 2.29 0.15 -1.26 0.09 113.70 116.26 2ny3 s SER 1145Ca -0.13 -0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.34 2ny3 s SER 1145Cb -0.15 -0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 2ny3 s SER 1145CO 0.04 0.10 -0.07 -0.69 1.20 0.00 0.00 173.24 173.82 2ny3 s VAL 1146N -0.21 3.37 0.18 4.45 1.01 0.30 -4.99 120.40 124.51 2ny3 s VAL 1146Ca 0.03 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2ny3 s VAL 1146Cb -0.03 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 2ny3 s VAL 1146CO -0.00 0.47 1.46 0.77 0.00 0.00 0.00 175.10 177.80 2ny3 h SER 1147N 7.34 0.64 -3.24 3.32 4.64 -1.89 -1.00 113.55 123.36 2ny3 h SER 1147Ca -0.34 -0.37 -0.45 0.00 -0.47 0.00 0.00 61.79 60.17 2ny3 h SER 1147Cb 1.18 -0.19 -0.39 0.00 -0.31 0.00 0.00 62.40 62.70 2ny3 h SER 1147CO 0.59 1.10 -0.76 -1.10 -0.87 0.00 0.00 176.83 175.79 2ny3 s GLN 1148N -3.90 0.44 0.34 4.77 -0.21 -1.26 -3.28 119.66 116.57 2ny3 s GLN 1148Ca -0.07 0.00 -0.27 0.00 0.02 0.00 0.00 55.36 55.04 2ny3 s GLN 1148Cb 0.11 -1.28 -0.09 0.00 1.00 0.00 0.00 33.01 32.74 2ny3 s GLN 1148CO 0.85 -0.43 1.08 -0.51 -2.12 0.00 0.00 175.29 174.16 2ny3 s LEU 1149N 2.00 4.34 0.25 2.90 1.02 0.65 -4.80 118.68 125.05 2ny3 s LEU 1149Ca 0.03 2.17 0.05 0.00 0.02 0.00 0.00 54.13 56.40 2ny3 s LEU 1149Cb -0.14 -3.91 -0.03 0.00 0.02 0.00 0.00 46.19 42.14 2ny3 s LEU 1149CO -0.06 -0.34 0.36 -1.61 0.02 0.00 0.00 176.35 174.72 2ny3 s GLU 1150N -1.97 3.36 0.39 1.70 0.41 -1.26 -0.54 118.70 120.78 2ny3 s GLU 1150Ca 0.51 -0.82 0.06 0.00 -0.41 0.00 0.00 54.97 54.32 2ny3 s GLU 1150Cb -0.27 -2.85 0.80 0.00 -1.78 0.00 0.00 34.13 30.02 2ny3 s GLU 1150CO 0.35 0.39 2.03 1.25 -0.49 0.00 0.00 175.26 178.78 2ny3 h LEU 1151N 1.17 0.51 0.00 1.80 5.85 -1.92 -1.69 115.31 121.03 2ny3 h LEU 1151Ca -0.51 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2ny3 h LEU 1151Cb 1.23 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2ny3 h LEU 1151CO 0.60 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 179.10 2ny3 n GLN 1152N -4.45 0.20 0.00 1.25 3.00 -1.26 -1.96 117.38 114.16 2ny3 n GLN 1152Ca 0.03 0.15 0.14 0.00 -0.01 0.00 0.00 57.00 57.31 2ny3 n GLN 1152Cb 0.08 -1.50 0.59 0.00 0.00 0.00 0.00 30.24 29.41 2ny3 n GLN 1152CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2ny3 n ASP 1153N -1.30 0.55 -4.73 1.08 8.00 -0.63 -3.24 116.55 116.28 2ny3 n ASP 1153Ca 0.07 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.51 2ny3 n ASP 1153Cb 0.13 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 2ny3 n ASP 1153CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ny3 s SER 1154N -2.45 7.07 0.00 -2.24 0.15 -0.83 -4.60 113.70 110.79 2ny3 s SER 1154Ca 0.29 2.16 0.00 0.00 0.70 0.00 0.00 55.95 59.10 2ny3 s SER 1154Cb 0.20 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2ny3 s SER 1154CO 0.47 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2ny3 n GLY 1155N 2.65 0.60 3.61 9.45 0.00 0.48 -4.82 105.19 117.15 2ny3 n GLY 1155Ca 0.06 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 2ny3 n GLY 1155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ny3 s THR 1156N -1.60 4.96 0.21 2.61 2.01 -1.26 -0.97 115.64 121.60 2ny3 s THR 1156Ca 0.00 0.93 -0.15 0.00 0.31 0.00 0.00 61.69 62.77 2ny3 s THR 1156Cb 0.00 -3.97 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 2ny3 s THR 1156CO 0.00 -0.08 0.64 0.26 -0.69 0.00 0.00 174.62 174.75 2ny3 s TRP 1157N 2.56 3.56 -0.19 4.92 0.52 0.15 -3.97 118.94 126.48 2ny3 s TRP 1157Ca 0.25 1.16 0.00 0.00 0.02 0.00 0.00 56.10 57.54 2ny3 s TRP 1157Cb -0.15 -2.46 0.02 0.00 -1.15 0.00 0.00 33.47 29.73 2ny3 s TRP 1157CO 0.11 0.32 -0.16 0.99 0.02 0.00 0.00 176.95 178.23 2ny3 s THR 1158N -1.62 2.33 -0.16 2.01 2.01 -0.23 -1.45 115.64 118.54 2ny3 s THR 1158Ca 0.43 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2ny3 s THR 1158Cb -0.14 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 2ny3 s THR 1158CO 0.20 0.48 -0.15 0.00 -0.69 0.00 0.00 174.62 174.46 2ny3 s THR 1160N 0.83 4.30 -0.21 0.00 2.01 0.10 0.26 115.64 122.93 2ny3 s THR 1160Ca -0.05 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 2ny3 s THR 1160Cb -0.15 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2ny3 s THR 1160CO -0.00 0.43 0.05 -0.69 -0.69 0.00 0.00 174.62 173.72 2ny3 s VAL 1161N 0.77 4.40 -0.18 3.82 1.01 -0.21 -1.41 120.40 128.60 2ny3 s VAL 1161Ca 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 2ny3 s VAL 1161Cb -0.14 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2ny3 s VAL 1161CO 0.02 0.40 0.01 -0.22 0.00 0.00 0.00 175.10 175.31 2ny3 s LEU 1162N 1.02 3.44 -0.23 3.92 0.20 0.39 -1.57 118.68 125.84 2ny3 s LEU 1162Ca 0.03 -0.09 -0.11 0.00 0.69 0.00 0.00 54.13 54.66 2ny3 s LEU 1162Cb -0.14 -1.86 0.09 0.00 -0.43 0.00 0.00 46.19 43.85 2ny3 s LEU 1162CO 0.03 0.13 0.53 -1.58 -0.29 0.00 0.00 176.35 175.17 2ny3 s GLN 1163N 0.59 0.49 -1.37 1.98 2.00 0.34 -1.78 119.66 121.91 2ny3 s GLN 1163Ca -0.00 1.09 -0.06 0.00 -2.00 0.00 0.00 55.36 54.39 2ny3 s GLN 1163Cb -0.14 0.28 0.03 0.00 0.80 0.00 0.00 33.01 33.98 2ny3 s GLN 1163CO 0.02 -0.19 0.92 0.09 -0.50 0.00 0.00 175.29 175.64 2ny3 n ASN 1164N 4.78 -3.36 0.00 6.67 4.13 -1.26 -1.60 115.26 124.63 2ny3 n ASN 1164Ca -0.17 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.37 2ny3 n ASN 1164Cb 0.54 -4.36 0.00 0.00 -1.54 0.00 0.00 39.78 34.42 2ny3 n ASN 1164CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ny3 n GLN 1165N -4.51 0.00 -2.73 3.52 1.13 -1.26 -4.95 117.38 108.58 2ny3 n GLN 1165Ca -0.14 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.65 2ny3 n GLN 1165Cb 0.61 -1.39 -0.00 0.00 0.11 0.00 0.00 30.24 29.57 2ny3 n GLN 1165CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2ny3 s LYS 1166N 0.00 3.54 0.04 -1.09 3.01 -0.63 -5.09 119.74 119.52 2ny3 s LYS 1166Ca 0.00 0.14 -0.02 0.00 -1.01 0.00 0.00 55.97 55.08 2ny3 s LYS 1166Cb 0.00 -2.41 -0.03 0.00 -1.01 0.00 0.00 37.83 34.38 2ny3 s LYS 1166CO 0.00 -0.16 -0.00 -1.59 0.51 0.00 0.00 175.35 174.11 2ny3 s LYS 1167N -4.68 0.54 0.03 1.68 -2.85 -1.26 -0.50 119.74 112.70 2ny3 s LYS 1167Ca 0.46 -0.99 0.02 0.00 -1.00 0.00 0.00 55.97 54.46 2ny3 s LYS 1167Cb -0.10 0.19 -0.02 0.00 -2.06 0.00 0.00 37.83 35.84 2ny3 s LYS 1167CO 0.44 -0.11 -0.06 0.54 0.10 0.00 0.00 175.35 176.26 2ny3 s VAL 1168N -3.11 0.41 -0.14 1.79 0.11 -0.61 -4.96 120.40 113.89 2ny3 s VAL 1168Ca -0.01 -0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 58.23 2ny3 s VAL 1168Cb 0.02 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 2ny3 s VAL 1168CO -0.07 -0.27 -0.07 -0.70 -3.33 0.00 0.00 175.10 170.67 2ny3 s GLU 1169N -1.14 3.48 -0.07 1.54 2.12 -1.26 -1.04 118.70 122.33 2ny3 s GLU 1169Ca -0.08 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.70 2ny3 s GLU 1169Cb -0.08 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 2ny3 s GLU 1169CO 0.00 0.29 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.83 2ny3 s PHE 1170N 0.21 2.80 -0.19 5.30 0.08 0.14 -4.97 117.98 121.36 2ny3 s PHE 1170Ca -0.04 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 56.81 2ny3 s PHE 1170Cb -0.14 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 2ny3 s PHE 1170CO 0.04 0.15 -0.14 0.15 -0.10 0.00 0.00 175.22 175.32 2ny3 s LYS 1171N -0.52 3.17 -0.13 0.44 1.02 -1.26 0.18 119.74 122.63 2ny3 s LYS 1171Ca 0.07 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.34 2ny3 s LYS 1171Cb -0.12 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 2ny3 s LYS 1171CO 0.02 -0.16 -0.21 0.42 -0.92 0.00 0.00 175.35 174.50 2ny3 s ILE 1172N 1.26 2.21 -0.20 2.17 -1.09 -0.53 -4.96 121.20 120.06 2ny3 s ILE 1172Ca 0.03 -0.94 -0.23 0.00 -2.23 0.00 0.00 60.65 57.29 2ny3 s ILE 1172Cb -0.14 -1.88 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 2ny3 s ILE 1172CO -0.07 0.54 0.72 -1.81 -1.23 0.00 0.00 174.94 173.10 2ny3 s ASP 1173N 0.69 6.78 -0.06 3.58 1.01 -1.26 -0.67 116.67 126.74 2ny3 s ASP 1173Ca -0.09 0.96 0.06 0.00 0.71 0.00 0.00 52.55 54.18 2ny3 s ASP 1173Cb -0.16 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 2ny3 s ASP 1173CO 0.01 -0.36 -0.23 -0.63 0.21 0.00 0.00 175.17 174.16 2ny3 s ILE 1174N 2.21 2.22 -0.18 0.77 -1.09 -0.15 -5.00 121.20 119.98 2ny3 s ILE 1174Ca 0.32 -1.01 -0.05 0.00 -2.23 0.00 0.00 60.65 57.69 2ny3 s ILE 1174Cb -0.16 -1.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.88 2ny3 s ILE 1174CO 0.10 0.57 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.68 2ny3 s VAL 1175N -0.20 3.95 -0.18 2.92 1.01 -1.26 -0.39 120.40 126.25 2ny3 s VAL 1175Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2ny3 s VAL 1175Cb -0.13 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.50 2ny3 s VAL 1175CO 0.03 0.46 -0.18 -0.69 0.00 0.00 0.00 175.10 174.72 2ny3 s VAL 1176N 0.71 2.30 0.25 2.92 1.01 -1.26 -0.51 120.40 125.81 2ny3 s VAL 1176Ca -0.01 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 2ny3 s VAL 1176Cb -0.14 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.18 2ny3 s VAL 1176CO 0.02 0.52 1.12 -0.76 0.00 0.00 0.00 175.10 176.00 2ny3 s LEU 1177N 1.21 4.52 0.53 3.92 1.02 -0.04 -4.82 118.68 125.02 2ny3 s LEU 1177Ca 0.02 2.24 -0.06 0.00 0.02 0.00 0.00 54.13 56.35 2ny3 s LEU 1177Cb -0.14 -3.62 -0.02 0.00 0.02 0.00 0.00 46.19 42.43 2ny3 s LEU 1177CO -0.09 -0.20 0.84 0.00 0.02 0.00 0.00 176.35 176.92 2ny3 s ALA 1178N -0.82 3.35 0.12 4.21 0.00 -1.26 -4.23 121.76 123.13 2ny3 s ALA 1178Ca 0.47 -0.54 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 2ny3 s ALA 1178Cb -0.32 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.21 2ny3 s ALA 1178CO 0.39 -0.52 0.37 -0.59 0.00 0.00 0.00 175.76 175.42 2ny3 s PHE 1179N -2.85 -0.13 -0.26 0.00 -0.12 -1.26 -5.09 117.98 108.27 2ny3 s PHE 1179Ca 0.50 -0.21 -0.14 0.00 -0.05 0.00 0.00 56.93 57.03 2ny3 s PHE 1179Cb -0.10 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 2ny3 s PHE 1179CO 0.46 -0.69 0.31 -1.14 -0.05 0.00 0.00 175.22 174.11 2ny3 s GLN 1180N -3.82 4.03 0.00 1.99 -0.44 -1.26 -5.24 119.66 114.92 2ny3 s GLN 1180Ca 0.04 -0.05 0.00 0.00 -2.50 0.00 0.00 55.36 52.85 2ny3 s GLN 1180Cb 0.02 -3.62 0.00 0.00 -1.64 0.00 0.00 33.01 27.77 2ny3 s GLN 1180CO -0.11 -0.18 0.18 1.63 0.50 0.00 0.00 175.29 177.31