#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ny1 s LYS 1002N 0.00 4.27 -0.10 1.64 2.36 -1.26 -5.00 119.74 121.64 2ny1 s LYS 1002Ca 0.00 0.58 0.02 0.00 -2.55 0.00 0.00 55.97 54.03 2ny1 s LYS 1002Cb 0.00 -3.53 -0.01 0.00 -1.05 0.00 0.00 37.83 33.24 2ny1 s LYS 1002CO 0.00 -0.10 -0.18 0.08 1.55 0.00 0.00 175.35 176.70 2ny1 s VAL 1003N 1.44 2.64 -0.11 4.02 1.01 -1.26 -0.65 120.40 127.49 2ny1 s VAL 1003Ca 0.29 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2ny1 s VAL 1003Cb -0.16 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2ny1 s VAL 1003CO 0.11 0.55 -0.16 -0.69 0.00 0.00 0.00 175.10 174.92 2ny1 s VAL 1004N 0.14 1.54 -0.02 2.92 1.01 -0.09 -4.97 120.40 120.93 2ny1 s VAL 1004Ca -0.09 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 2ny1 s VAL 1004Cb -0.16 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2ny1 s VAL 1004CO 0.06 0.45 0.40 -0.76 0.00 0.00 0.00 175.10 175.25 2ny1 s LEU 1005N 1.03 4.44 0.25 3.92 1.02 -1.26 -1.34 118.68 126.74 2ny1 s LEU 1005Ca -0.05 0.92 0.09 0.00 0.02 0.00 0.00 54.13 55.11 2ny1 s LEU 1005Cb -0.15 -2.58 -0.05 0.00 0.02 0.00 0.00 46.19 43.44 2ny1 s LEU 1005CO -0.02 0.28 -0.15 -0.83 0.02 0.00 0.00 176.35 175.65 2ny1 s GLY 1006N -0.82 1.69 -0.09 -3.19 0.00 0.42 -4.92 107.32 100.40 2ny1 s GLY 1006Ca 0.23 -1.79 0.02 0.00 0.00 0.00 0.00 44.72 43.18 2ny1 s GLY 1006CO 0.12 -1.86 -0.16 0.54 0.00 0.00 0.00 173.10 171.75 2ny1 s LYS 1007N -3.60 2.99 0.09 2.90 1.02 -1.26 -1.06 119.74 120.81 2ny1 s LYS 1007Ca 0.27 -0.73 -0.35 0.00 0.02 0.00 0.00 55.97 55.18 2ny1 s LYS 1007Cb -0.02 -2.47 -0.14 0.00 -0.52 0.00 0.00 37.83 34.68 2ny1 s LYS 1007CO 0.11 0.36 1.58 1.17 -0.92 0.00 0.00 175.35 177.65 2ny1 n LYS 1008N 3.08 1.91 0.00 1.68 4.81 0.11 -1.22 118.16 128.53 2ny1 n LYS 1008Ca -0.18 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2ny1 n LYS 1008Cb 0.52 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.13 2ny1 n LYS 1008CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ny1 n GLY 1009N 3.40 2.64 3.70 3.14 0.00 -0.00 -4.87 105.19 113.20 2ny1 n GLY 1009Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2ny1 n GLY 1009CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ny1 n ASP 1010N 0.00 0.40 -4.47 1.61 9.92 -0.36 -3.86 116.55 119.79 2ny1 n ASP 1010Ca 0.00 -1.62 -0.33 0.00 -0.53 0.00 0.00 54.79 52.31 2ny1 n ASP 1010Cb 0.00 -0.89 -0.13 0.00 -0.64 0.00 0.00 41.12 39.46 2ny1 n ASP 1010CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2ny1 s THR 1011N -3.58 3.22 0.00 -3.53 2.01 -1.26 -1.17 115.64 111.33 2ny1 s THR 1011Ca 0.70 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 62.11 2ny1 s THR 1011Cb -0.02 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 2ny1 s THR 1011CO 0.48 0.57 -0.19 0.54 -0.69 0.00 0.00 174.62 175.34 2ny1 s VAL 1012N -0.44 1.52 -0.24 3.82 0.11 -0.16 -4.98 120.40 120.04 2ny1 s VAL 1012Ca 0.06 -0.91 -0.03 0.00 -2.93 0.00 0.00 61.98 58.16 2ny1 s VAL 1012Cb -0.12 -1.28 0.01 0.00 -1.53 0.00 0.00 36.38 33.45 2ny1 s VAL 1012CO 0.02 0.36 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.41 2ny1 s GLU 1013N -0.65 3.13 -0.21 1.54 2.12 -1.26 -0.63 118.70 122.75 2ny1 s GLU 1013Ca 0.07 -0.79 -0.13 0.00 0.36 0.00 0.00 54.97 54.48 2ny1 s GLU 1013Cb -0.08 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 2ny1 s GLU 1013CO -0.00 -0.31 0.28 -0.51 -0.54 0.00 0.00 175.26 174.19 2ny1 s LEU 1014N 1.42 4.16 0.20 2.70 1.43 0.80 -4.93 118.68 124.46 2ny1 s LEU 1014Ca 0.03 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 2ny1 s LEU 1014Cb -0.15 -2.32 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 2ny1 s LEU 1014CO -0.03 0.02 0.55 0.42 0.23 0.00 0.00 176.35 177.53 2ny1 s THR 1015N 1.04 4.92 -0.13 5.49 -4.23 -1.26 -0.12 115.64 121.34 2ny1 s THR 1015Ca 0.14 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.16 2ny1 s THR 1015Cb -0.14 -3.65 0.06 0.00 1.34 0.00 0.00 72.50 70.12 2ny1 s THR 1015CO 0.05 0.02 0.27 0.00 -0.54 0.00 0.00 174.62 174.43 2ny1 s THR 1017N 2.13 1.53 0.56 0.00 2.01 -1.26 -0.70 115.64 119.90 2ny1 s THR 1017Ca -0.02 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 2ny1 s THR 1017Cb -0.11 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.07 2ny1 s THR 1017CO -0.09 0.44 0.83 0.00 -0.69 0.00 0.00 174.62 175.11 2ny1 s ALA 1018N 0.39 3.52 0.21 7.40 0.00 -0.46 -5.00 121.76 127.81 2ny1 s ALA 1018Ca -0.13 -0.94 0.24 0.00 0.00 0.00 0.00 51.96 51.12 2ny1 s ALA 1018Cb -0.15 -2.37 1.00 0.00 0.00 0.00 0.00 23.12 21.59 2ny1 s ALA 1018CO 0.05 -0.73 1.87 0.77 0.00 0.00 0.00 175.76 177.72 2ny1 h SER 1019N -0.02 0.00 -3.38 0.00 0.02 -1.97 -3.45 113.55 104.75 2ny1 h SER 1019Ca -0.45 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.99 2ny1 h SER 1019Cb 1.27 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.64 2ny1 h SER 1019CO 0.58 0.23 -0.77 0.00 -1.14 0.00 0.00 176.83 175.73 2ny1 s GLN 1020N -3.77 1.32 -1.41 3.45 -2.07 -1.26 -5.05 119.66 110.86 2ny1 s GLN 1020Ca -0.00 -1.47 -0.14 0.00 -1.82 0.00 0.00 55.36 51.92 2ny1 s GLN 1020Cb 0.11 -1.32 0.06 0.00 -1.09 0.00 0.00 33.01 30.77 2ny1 s GLN 1020CO 0.63 0.26 2.09 1.63 -1.32 0.00 0.00 175.29 178.58 2ny1 n LYS 1021N 0.08 2.98 -3.72 9.60 5.02 -1.26 -4.19 118.16 126.67 2ny1 n LYS 1021Ca -0.11 -2.83 -0.13 0.00 -2.02 0.00 0.00 58.31 53.22 2ny1 n LYS 1021Cb 0.58 -3.30 -0.08 0.00 -0.02 0.00 0.00 35.03 32.21 2ny1 n LYS 1021CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2ny1 s LYS 1022N 3.19 0.79 -0.40 1.97 2.20 -1.21 -4.62 119.74 121.65 2ny1 s LYS 1022Ca 0.48 -0.27 -0.27 0.00 -0.36 0.00 0.00 55.97 55.55 2ny1 s LYS 1022Cb 0.11 0.35 0.02 0.00 -1.51 0.00 0.00 37.83 36.81 2ny1 s LYS 1022CO -0.05 -0.24 1.02 0.45 -0.36 0.00 0.00 175.35 176.16 2ny1 s SER 1023N -1.65 6.70 0.46 1.43 0.15 -1.02 -3.55 113.70 116.21 2ny1 s SER 1023Ca -0.09 0.59 0.01 0.00 0.70 0.00 0.00 55.95 57.16 2ny1 s SER 1023Cb -0.03 -2.50 -0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2ny1 s SER 1023CO 0.01 -1.00 0.05 2.30 1.20 0.00 0.00 173.24 175.81 2ny1 n ILE 1024N 6.25 0.00 -2.53 6.45 -5.35 -1.26 -5.02 119.36 117.90 2ny1 n ILE 1024Ca 0.09 -2.35 -0.42 0.00 -0.27 0.00 0.00 62.75 59.80 2ny1 n ILE 1024Cb 0.48 0.61 -0.03 0.00 -1.74 0.00 0.00 39.64 38.96 2ny1 n ILE 1024CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2ny1 s GLN 1025N -3.70 4.47 0.11 6.28 2.00 -1.26 -4.96 119.66 122.60 2ny1 s GLN 1025Ca 0.08 1.63 0.01 0.00 -2.00 0.00 0.00 55.36 55.07 2ny1 s GLN 1025Cb 0.00 -3.40 -0.04 0.00 0.80 0.00 0.00 33.01 30.37 2ny1 s GLN 1025CO 0.05 -0.19 -0.02 -0.59 -0.50 0.00 0.00 175.29 174.04 2ny1 s PHE 1026N 1.12 0.90 -0.21 1.67 -0.71 -1.26 -4.27 117.98 115.21 2ny1 s PHE 1026Ca 0.56 -1.03 -0.17 0.00 -1.04 0.00 0.00 56.93 55.25 2ny1 s PHE 1026Cb -0.26 -0.53 0.06 0.00 -1.21 0.00 0.00 43.02 41.08 2ny1 s PHE 1026CO 0.28 -0.27 0.55 -1.58 -1.34 0.00 0.00 175.22 172.86 2ny1 s HIS 1027N -3.76 -0.69 -0.18 3.49 2.46 -0.86 -2.55 115.29 113.21 2ny1 s HIS 1027Ca 0.16 1.57 -0.08 0.00 0.47 0.00 0.00 55.06 57.19 2ny1 s HIS 1027Cb 0.06 0.30 -0.04 0.00 -0.13 0.00 0.00 32.58 32.77 2ny1 s HIS 1027CO -0.02 -0.35 0.09 -1.58 -2.47 0.00 0.00 174.74 170.41 2ny1 s TRP 1028N 0.75 3.34 0.25 3.88 0.52 0.14 -0.76 118.94 127.06 2ny1 s TRP 1028Ca -0.04 0.22 0.06 0.00 0.02 0.00 0.00 56.10 56.36 2ny1 s TRP 1028Cb -0.05 -2.08 -0.05 0.00 -1.15 0.00 0.00 33.47 30.14 2ny1 s TRP 1028CO -0.06 0.28 -0.05 0.15 0.02 0.00 0.00 176.95 177.30 2ny1 s LYS 1029N 0.15 1.45 0.41 4.98 1.02 -0.04 -0.71 119.74 127.00 2ny1 s LYS 1029Ca 0.07 -1.72 0.03 0.00 0.02 0.00 0.00 55.97 54.36 2ny1 s LYS 1029Cb -0.12 -0.98 0.08 0.00 -0.52 0.00 0.00 37.83 36.29 2ny1 s LYS 1029CO -0.00 0.01 0.57 0.27 -0.92 0.00 0.00 175.35 175.28 2ny1 n ASN 1030N -0.50 1.10 0.08 2.83 0.23 -0.61 -0.74 115.26 117.65 2ny1 n ASN 1030Ca -0.06 -1.85 0.12 0.00 -0.53 0.00 0.00 54.58 52.26 2ny1 n ASN 1030Cb 0.63 -0.34 0.60 0.00 -2.08 0.00 0.00 39.78 38.59 2ny1 n ASN 1030CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2ny1 h SER 1031N -0.15 0.13 -0.38 0.53 4.64 -1.62 -1.00 113.55 115.70 2ny1 h SER 1031Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2ny1 h SER 1031Cb 0.78 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2ny1 h SER 1031CO 0.24 0.09 0.00 0.59 -0.87 0.00 0.00 176.83 176.87 2ny1 n ASN 1032N -4.47 3.50 -0.66 4.97 3.02 -1.26 -4.89 115.26 115.47 2ny1 n ASN 1032Ca 0.04 -2.41 -0.09 0.00 -0.03 0.00 0.00 54.58 52.09 2ny1 n ASN 1032Cb 0.31 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 2ny1 n ASN 1032CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ny1 n GLN 1033N 0.50 -1.13 -2.26 3.52 1.13 -0.38 -4.97 117.38 113.78 2ny1 n GLN 1033Ca 0.16 0.74 -0.42 0.00 -1.94 0.00 0.00 57.00 55.54 2ny1 n GLN 1033Cb 0.71 -4.80 -0.03 0.00 0.11 0.00 0.00 30.24 26.23 2ny1 n GLN 1033CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2ny1 s ILE 1034N -2.05 3.79 0.06 5.09 -1.09 -1.26 -4.80 121.20 120.95 2ny1 s ILE 1034Ca 0.00 1.18 -0.31 0.00 -2.23 0.00 0.00 60.65 59.29 2ny1 s ILE 1034Cb 0.00 -3.76 -0.08 0.00 -1.58 0.00 0.00 42.46 37.05 2ny1 s ILE 1034CO 0.00 0.00 1.60 -0.54 -1.23 0.00 0.00 174.94 174.78 2ny1 s LYS 1035N 2.29 4.21 -0.24 2.79 1.02 -1.26 -1.58 119.74 126.97 2ny1 s LYS 1035Ca 0.62 2.27 -0.16 0.00 0.02 0.00 0.00 55.97 58.72 2ny1 s LYS 1035Cb -0.30 -3.57 -0.13 0.00 -0.52 0.00 0.00 37.83 33.31 2ny1 s LYS 1035CO 0.26 -0.70 -0.20 -0.89 -0.92 0.00 0.00 175.35 172.90 2ny1 n ILE 1036N 4.67 1.52 -3.61 2.17 2.08 0.11 -3.59 119.36 122.70 2ny1 n ILE 1036Ca 0.15 -0.20 -0.06 0.00 0.56 0.00 0.00 62.75 63.20 2ny1 n ILE 1036Cb 0.41 -2.01 -0.05 0.00 -0.75 0.00 0.00 39.64 37.25 2ny1 n ILE 1036CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2ny1 s LEU 1037N -7.69 -0.20 0.00 1.39 0.20 -1.15 -1.91 118.68 109.32 2ny1 s LEU 1037Ca -0.34 0.22 -0.02 0.00 0.69 0.00 0.00 54.13 54.68 2ny1 s LEU 1037Cb 0.11 1.47 0.01 0.00 -0.43 0.00 0.00 46.19 47.35 2ny1 s LEU 1037CO 0.49 -0.19 0.11 0.61 -0.29 0.00 0.00 176.35 177.09 2ny1 n GLY 1038N 0.64 1.06 3.49 7.98 0.00 -0.80 0.26 105.19 117.81 2ny1 n GLY 1038Ca -0.05 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 2ny1 n GLY 1038CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ny1 s ASN 1039N -1.25 3.79 -0.30 1.61 4.22 -1.06 -0.49 114.94 121.46 2ny1 s ASN 1039Ca 0.02 -0.73 0.02 0.00 -2.14 0.00 0.00 52.86 50.04 2ny1 s ASN 1039Cb -0.00 -0.46 0.09 0.00 1.28 0.00 0.00 41.25 42.16 2ny1 s ASN 1039CO 0.00 0.12 0.03 -1.10 -2.04 0.00 0.00 177.10 174.11 2ny1 s GLN 1040N -2.68 1.35 6.85 3.55 -1.52 0.06 -4.64 119.66 122.63 2ny1 s GLN 1040Ca 0.22 -1.42 0.00 0.00 -1.95 0.00 0.00 55.36 52.21 2ny1 s GLN 1040Cb -0.08 -2.71 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 2ny1 s GLN 1040CO 0.12 -0.85 0.00 0.41 -0.25 0.00 0.00 175.29 174.72 2ny1 n GLY 1041N 4.52 3.11 1.09 3.09 0.00 -1.26 -1.88 105.19 113.85 2ny1 n GLY 1041Ca -0.03 0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.37 2ny1 n GLY 1041CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ny1 n SER 1042N 9.85 3.43 -4.74 1.61 7.64 -1.26 -4.96 113.62 125.19 2ny1 n SER 1042Ca 0.00 -1.96 -0.31 0.00 1.01 0.00 0.00 58.87 57.61 2ny1 n SER 1042Cb 0.00 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 2ny1 n SER 1042CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2ny1 s PHE 1043N -1.22 3.14 0.07 1.43 0.08 -0.79 -5.11 117.98 115.58 2ny1 s PHE 1043Ca 0.38 0.07 -0.21 0.00 0.12 0.00 0.00 56.93 57.29 2ny1 s PHE 1043Cb 0.21 -1.62 -0.07 0.00 -0.57 0.00 0.00 43.02 40.97 2ny1 s PHE 1043CO 0.28 0.51 0.61 -1.17 -0.10 0.00 0.00 175.22 175.35 2ny1 s LEU 1044N -2.18 4.51 0.13 -0.37 2.96 -1.26 -0.76 118.68 121.71 2ny1 s LEU 1044Ca 0.26 1.30 0.10 0.00 -0.22 0.00 0.00 54.13 55.58 2ny1 s LEU 1044Cb -0.12 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 2ny1 s LEU 1044CO 0.19 0.21 -0.21 0.42 -1.32 0.00 0.00 176.35 175.64 2ny1 s THR 1045N -0.86 2.65 -0.03 3.68 -4.23 0.36 -4.87 115.64 112.33 2ny1 s THR 1045Ca 0.31 -1.65 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 2ny1 s THR 1045Cb -0.20 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 2ny1 s THR 1045CO 0.20 0.06 -0.17 -0.54 -0.54 0.00 0.00 174.62 173.62 2ny1 s LYS 1046N -2.23 1.67 0.81 3.99 1.02 -1.26 -1.90 119.74 121.82 2ny1 s LYS 1046Ca 0.18 -0.62 -0.10 0.00 0.02 0.00 0.00 55.97 55.45 2ny1 s LYS 1046Cb -0.10 -1.50 0.18 0.00 -0.52 0.00 0.00 37.83 35.89 2ny1 s LYS 1046CO 0.09 0.29 1.10 0.41 -0.92 0.00 0.00 175.35 176.32 2ny1 n GLY 1047N 2.98 -0.73 1.39 -3.33 0.00 -0.80 -4.93 105.19 99.77 2ny1 n GLY 1047Ca -0.17 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.02 2ny1 n GLY 1047CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ny1 n PRO 1048N -3.24 1.06 -3.01 1.61 -0.02 -1.24 -4.72 135.00 125.44 2ny1 n PRO 1048Ca 0.15 -0.13 -0.26 0.00 -2.02 0.00 0.00 63.50 61.24 2ny1 n PRO 1048Cb 0.53 -1.05 -0.01 0.00 -0.02 0.00 0.00 33.50 32.95 2ny1 n PRO 1048CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ny1 s SER 1049N 1.58 6.31 0.14 2.55 0.15 -1.25 -4.97 113.70 118.21 2ny1 s SER 1049Ca 0.02 0.74 0.18 0.00 0.70 0.00 0.00 55.95 57.59 2ny1 s SER 1049Cb 0.02 -2.16 0.78 0.00 -1.71 0.00 0.00 66.02 62.95 2ny1 s SER 1049CO 0.00 -0.42 1.55 0.29 1.20 0.00 0.00 173.24 175.87 2ny1 n LYS 1050N -1.86 0.10 0.07 5.44 5.02 -1.26 -1.81 118.16 123.86 2ny1 n LYS 1050Ca -0.02 0.38 0.12 0.00 -2.02 0.00 0.00 58.31 56.78 2ny1 n LYS 1050Cb 0.55 -1.71 0.25 0.00 -0.02 0.00 0.00 35.03 34.11 2ny1 n LYS 1050CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ny1 n LEU 1051N -1.90 0.73 -0.15 -0.35 4.32 -1.26 -4.67 117.00 113.72 2ny1 n LEU 1051Ca 0.02 0.34 -0.04 0.00 -0.02 0.00 0.00 56.01 56.31 2ny1 n LEU 1051Cb 0.17 -0.23 -0.04 0.00 -1.62 0.00 0.00 43.42 41.71 2ny1 n LEU 1051CO 0.15 -0.09 0.24 -3.20 -1.22 0.00 0.00 177.39 173.27 2ny1 n ASN 1052N -2.15 -0.37 0.00 -1.43 2.85 -0.75 0.58 115.26 113.99 2ny1 n ASN 1052Ca 0.04 0.78 0.11 0.00 -0.11 0.00 0.00 54.58 55.40 2ny1 n ASN 1052Cb 0.43 -0.16 0.64 0.00 1.24 0.00 0.00 39.78 41.94 2ny1 n ASN 1052CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2ny1 n ASP 1053N -3.99 0.00 0.00 1.20 3.85 -1.26 -2.95 116.55 113.39 2ny1 n ASP 1053Ca 0.01 -0.50 0.00 0.00 -0.71 0.00 0.00 54.79 53.59 2ny1 n ASP 1053Cb 0.09 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2ny1 n ASP 1053CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2ny1 n ARG 1054N -1.09 -0.09 -4.02 0.11 1.74 0.20 -5.04 116.66 108.45 2ny1 n ARG 1054Ca 0.15 -0.59 -0.33 0.00 -0.77 0.00 0.00 57.85 56.31 2ny1 n ARG 1054Cb 0.11 -0.89 -0.06 0.00 -1.02 0.00 0.00 32.46 30.59 2ny1 n ARG 1054CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ny1 s ALA 1055N -0.17 3.73 0.28 7.54 0.00 -0.58 -1.22 121.76 131.33 2ny1 s ALA 1055Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 2ny1 s ALA 1055Cb 0.00 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.46 2ny1 s ALA 1055CO 0.00 0.71 0.78 0.34 0.00 0.00 0.00 175.76 177.59 2ny1 s ASP 1056N -1.81 -0.18 0.00 0.00 -1.08 -0.14 -4.97 116.67 108.48 2ny1 s ASP 1056Ca 0.24 -0.70 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 2ny1 s ASP 1056Cb -0.12 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.06 2ny1 s ASP 1056CO 0.16 -1.35 0.00 -0.24 0.52 0.00 0.00 175.17 174.25 2ny1 n SER 1057N -0.69 1.38 -3.71 -0.34 2.88 -1.26 -0.45 113.62 111.43 2ny1 n SER 1057Ca -0.05 -0.52 -0.30 0.00 -1.33 0.00 0.00 58.87 56.67 2ny1 n SER 1057Cb 0.59 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.92 2ny1 n SER 1057CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2ny1 s ARG 1058N -0.56 1.14 0.57 -1.46 3.52 -1.26 -4.89 118.95 116.01 2ny1 s ARG 1058Ca 0.00 -1.79 0.35 0.00 -0.13 0.00 0.00 55.73 54.16 2ny1 s ARG 1058Cb 0.00 -2.22 1.65 0.00 -1.56 0.00 0.00 34.95 32.81 2ny1 s ARG 1058CO 0.00 -1.13 2.10 0.00 -0.81 0.00 0.00 175.30 175.46 2ny1 h ARG 1059N 7.02 0.00 0.00 5.12 3.08 -1.97 -0.29 114.38 127.34 2ny1 h ARG 1059Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2ny1 h ARG 1059Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2ny1 h ARG 1059CO 0.47 0.04 0.00 -1.13 -1.07 0.00 0.00 179.97 178.27 2ny1 n SER 1060N -3.21 0.00 -0.00 7.04 3.41 -1.26 -2.31 113.62 117.29 2ny1 n SER 1060Ca -0.01 0.02 0.05 0.00 -0.26 0.00 0.00 58.87 58.68 2ny1 n SER 1060Cb 0.24 -0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2ny1 n SER 1060CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ny1 n LEU 1061N -1.24 0.13 -0.27 1.04 4.77 -0.12 -4.58 117.00 116.73 2ny1 n LEU 1061Ca 0.07 -0.13 0.09 0.00 -0.03 0.00 0.00 56.01 56.00 2ny1 n LEU 1061Cb 0.09 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.52 2ny1 n LEU 1061CO 0.09 0.03 1.23 -0.50 -1.33 0.00 0.00 177.39 176.91 2ny1 h TRP 1062N 0.00 0.88 0.00 -1.77 4.06 -1.26 0.15 115.95 118.02 2ny1 h TRP 1062Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2ny1 h TRP 1062Cb 0.43 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 2ny1 h TRP 1062CO 0.00 0.38 0.00 -0.44 -3.56 0.00 0.00 178.44 174.82 2ny1 h ASP 1063N 0.79 0.00 -0.71 -3.49 3.32 -1.81 -1.76 116.42 112.77 2ny1 h ASP 1063Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2ny1 h ASP 1063Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2ny1 h ASP 1063CO -0.18 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.34 2ny1 n GLN 1064N -2.83 2.89 -2.39 3.56 3.00 0.50 -3.35 117.38 118.75 2ny1 n GLN 1064Ca -0.00 -2.64 -0.10 0.00 -0.01 0.00 0.00 57.00 54.25 2ny1 n GLN 1064Cb 0.22 -1.63 0.01 0.00 0.00 0.00 0.00 30.24 28.83 2ny1 n GLN 1064CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ny1 n GLY 1065N 1.54 0.06 2.99 1.08 0.00 -0.69 -4.54 105.19 105.63 2ny1 n GLY 1065Ca 0.24 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 2ny1 n GLY 1065CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ny1 s ASN 1066N -2.72 1.85 -0.48 1.61 2.47 -0.96 -1.36 114.94 115.35 2ny1 s ASN 1066Ca 0.07 -0.30 0.06 0.00 0.42 0.00 0.00 52.86 53.12 2ny1 s ASN 1066Cb -0.03 -0.82 0.22 0.00 -1.45 0.00 0.00 41.25 39.17 2ny1 s ASN 1066CO 0.08 -0.01 0.52 0.49 -3.72 0.00 0.00 177.10 174.46 2ny1 n PHE 1067N 4.13 0.66 -2.61 0.43 3.01 0.12 -2.72 117.46 120.48 2ny1 n PHE 1067Ca -0.20 -3.69 -0.35 0.00 1.01 0.00 0.00 57.45 54.21 2ny1 n PHE 1067Cb 0.51 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 39.67 2ny1 n PHE 1067CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2ny1 s PRO 1068N -1.15 4.13 -0.47 -1.08 0.04 -1.26 -4.02 135.00 131.20 2ny1 s PRO 1068Ca 0.34 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.62 2ny1 s PRO 1068Cb 0.11 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.30 2ny1 s PRO 1068CO -0.12 -0.15 0.44 -1.17 0.04 0.00 0.00 177.00 176.04 2ny1 s LEU 1069N -2.85 5.38 -0.23 -3.56 0.20 0.83 -4.24 118.68 114.20 2ny1 s LEU 1069Ca 0.60 -1.15 -0.12 0.00 0.69 0.00 0.00 54.13 54.15 2ny1 s LEU 1069Cb -0.19 -2.25 -0.05 0.00 -0.43 0.00 0.00 46.19 43.28 2ny1 s LEU 1069CO 0.23 -0.67 0.24 -0.63 -0.29 0.00 0.00 176.35 175.23 2ny1 s ILE 1070N 1.89 5.30 -0.19 6.68 1.01 0.40 -0.14 121.20 136.15 2ny1 s ILE 1070Ca 0.07 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.07 2ny1 s ILE 1070Cb -0.22 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.70 2ny1 s ILE 1070CO 0.09 0.30 -0.19 -0.63 0.00 0.00 0.00 174.94 174.51 2ny1 s ILE 1071N 1.24 2.09 0.37 2.92 1.01 0.20 -0.96 121.20 128.07 2ny1 s ILE 1071Ca 0.11 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2ny1 s ILE 1071Cb -0.14 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 2ny1 s ILE 1071CO 0.06 0.47 0.56 -1.59 0.00 0.00 0.00 174.94 174.44 2ny1 s LYS 1072N 1.27 3.23 -1.32 2.79 -2.85 -0.36 -0.99 119.74 121.51 2ny1 s LYS 1072Ca 0.03 -0.60 -0.13 0.00 -1.00 0.00 0.00 55.97 54.28 2ny1 s LYS 1072Cb -0.14 -2.68 0.01 0.00 -2.06 0.00 0.00 37.83 32.96 2ny1 s LYS 1072CO -0.12 -0.01 0.49 -1.71 0.10 0.00 0.00 175.35 174.11 2ny1 n ASN 1073N -1.83 -2.15 -4.57 0.03 4.05 -0.88 -4.79 115.26 105.13 2ny1 n ASN 1073Ca -0.02 -1.12 -0.45 0.00 0.45 0.00 0.00 54.58 53.44 2ny1 n ASN 1073Cb 0.57 -2.58 -0.02 0.00 1.23 0.00 0.00 39.78 38.99 2ny1 n ASN 1073CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2ny1 n LEU 1074N -4.53 1.40 -4.62 1.20 7.99 -0.32 -4.52 117.00 113.61 2ny1 n LEU 1074Ca -0.22 1.17 -0.26 0.00 -0.01 0.00 0.00 56.01 56.69 2ny1 n LEU 1074Cb 0.64 -1.24 -0.08 0.00 -0.11 0.00 0.00 43.42 42.62 2ny1 n LEU 1074CO 0.75 -1.59 -0.37 -0.54 -1.51 0.00 0.00 177.39 174.14 2ny1 s LYS 1075N -1.38 2.24 0.29 3.23 1.02 -1.26 -0.82 119.74 123.06 2ny1 s LYS 1075Ca 0.61 -1.22 -0.01 0.00 0.02 0.00 0.00 55.97 55.37 2ny1 s LYS 1075Cb -0.74 -2.24 0.47 0.00 -0.52 0.00 0.00 37.83 34.79 2ny1 s LYS 1075CO 0.59 0.43 1.92 0.82 -0.92 0.00 0.00 175.35 178.19 2ny1 h ILE 1076N 2.51 1.11 0.00 2.17 5.03 -1.95 -1.12 117.51 125.25 2ny1 h ILE 1076Ca -0.46 -0.38 0.00 0.00 -0.12 0.00 0.00 64.86 63.90 2ny1 h ILE 1076Cb 1.21 -0.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.91 2ny1 h ILE 1076CO 0.57 0.20 0.00 -1.84 -0.68 0.00 0.00 178.15 176.40 2ny1 n GLU 1077N -4.47 0.01 0.13 2.37 0.00 -1.26 -1.49 120.64 115.92 2ny1 n GLU 1077Ca 0.13 0.28 0.11 0.00 0.00 0.00 0.00 57.16 57.68 2ny1 n GLU 1077Cb 0.15 -1.50 0.49 0.00 0.00 0.00 0.00 31.44 30.58 2ny1 n GLU 1077CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ny1 n ASP 1078N -1.49 0.62 -4.71 -1.84 8.00 -0.42 -4.77 116.55 111.93 2ny1 n ASP 1078Ca 0.03 0.67 -0.42 0.00 0.71 0.00 0.00 54.79 55.78 2ny1 n ASP 1078Cb 0.15 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 2ny1 n ASP 1078CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ny1 s SER 1079N -4.15 6.42 -0.10 -2.24 0.01 -0.56 -4.92 113.70 108.17 2ny1 s SER 1079Ca 0.03 2.80 -0.32 0.00 1.31 0.00 0.00 55.95 59.77 2ny1 s SER 1079Cb 0.09 -2.59 0.13 0.00 0.21 0.00 0.00 66.02 63.86 2ny1 s SER 1079CO 0.36 -0.96 1.42 -0.62 0.41 0.00 0.00 173.24 173.84 2ny1 s ASP 1080N 1.63 -0.00 -0.19 2.44 -1.08 -0.82 -5.00 116.67 113.65 2ny1 s ASP 1080Ca 0.76 -0.00 -0.14 0.00 -0.52 0.00 0.00 52.55 52.65 2ny1 s ASP 1080Cb -0.48 0.00 -0.05 0.00 -1.46 0.00 0.00 42.92 40.94 2ny1 s ASP 1080CO 0.33 -0.01 0.29 -0.89 0.52 0.00 0.00 175.17 175.41 2ny1 s THR 1081N -2.01 5.29 -0.07 1.71 2.01 -1.26 -0.32 115.64 120.99 2ny1 s THR 1081Ca 0.22 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.74 2ny1 s THR 1081Cb 0.05 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 2ny1 s THR 1081CO -0.05 0.34 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.83 2ny1 s TYR 1082N 0.81 2.90 -0.15 4.92 1.51 0.15 -1.51 117.35 125.98 2ny1 s TYR 1082Ca 0.15 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.18 2ny1 s TYR 1082Cb -0.13 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 40.01 2ny1 s TYR 1082CO 0.05 0.26 -0.21 0.42 -1.11 0.00 0.00 175.55 174.96 2ny1 s ILE 1083N -0.67 2.13 -0.30 2.71 1.09 0.08 -0.71 121.20 125.54 2ny1 s ILE 1083Ca 0.10 -0.95 -0.12 0.00 -1.10 0.00 0.00 60.65 58.58 2ny1 s ILE 1083Cb -0.11 -1.86 -0.04 0.00 -1.06 0.00 0.00 42.46 39.39 2ny1 s ILE 1083CO 0.02 0.54 0.25 0.00 -0.10 0.00 0.00 174.94 175.65 2ny1 s GLU 1085N 1.83 3.73 -0.15 0.00 2.02 0.06 -1.58 118.70 124.61 2ny1 s GLU 1085Ca 0.08 -0.47 -0.09 0.00 0.02 0.00 0.00 54.97 54.52 2ny1 s GLU 1085Cb -0.16 -3.66 0.05 0.00 0.10 0.00 0.00 34.13 30.46 2ny1 s GLU 1085CO 0.11 -0.28 0.37 0.54 0.02 0.00 0.00 175.26 176.02 2ny1 s VAL 1086N 1.72 -0.02 -1.51 2.63 0.11 -0.94 -2.02 120.40 120.37 2ny1 s VAL 1086Ca 0.06 0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.18 2ny1 s VAL 1086Cb -0.16 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2ny1 s VAL 1086CO 0.10 0.03 0.27 -1.84 -3.33 0.00 0.00 175.10 170.33 2ny1 n GLU 1087N 3.96 -2.16 -1.23 1.54 0.28 -1.26 -1.09 120.64 120.68 2ny1 n GLU 1087Ca -0.22 0.25 -0.08 0.00 -0.16 0.00 0.00 57.16 56.96 2ny1 n GLU 1087Cb 0.55 -4.16 -0.03 0.00 1.43 0.00 0.00 31.44 29.23 2ny1 n GLU 1087CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ny1 n ASP 1088N -2.90 -5.37 -4.82 -1.84 2.03 -1.26 -4.98 116.55 97.41 2ny1 n ASP 1088Ca -0.28 0.19 -0.22 0.00 0.52 0.00 0.00 54.79 55.00 2ny1 n ASP 1088Cb 0.67 -3.55 -0.04 0.00 -0.72 0.00 0.00 41.12 37.48 2ny1 n ASP 1088CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2ny1 s GLN 1089N -2.48 2.91 -0.27 -0.67 -0.21 -0.25 -5.11 119.66 113.58 2ny1 s GLN 1089Ca 0.00 -1.04 -0.01 0.00 0.02 0.00 0.00 55.36 54.32 2ny1 s GLN 1089Cb 0.00 -2.56 0.09 0.00 1.00 0.00 0.00 33.01 31.53 2ny1 s GLN 1089CO 0.00 0.41 0.07 0.15 -2.12 0.00 0.00 175.29 173.80 2ny1 s LYS 1090N -3.77 0.77 -0.29 2.91 1.02 -1.26 -2.21 119.74 116.92 2ny1 s LYS 1090Ca 0.33 -0.89 -0.16 0.00 0.02 0.00 0.00 55.97 55.26 2ny1 s LYS 1090Cb -0.08 -2.06 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 2ny1 s LYS 1090CO 0.25 -0.86 0.44 -1.21 -0.92 0.00 0.00 175.35 173.04 2ny1 s GLU 1091N 1.67 3.93 -0.04 1.68 2.02 -0.62 -4.93 118.70 122.40 2ny1 s GLU 1091Ca 0.06 0.05 -0.02 0.00 0.02 0.00 0.00 54.97 55.08 2ny1 s GLU 1091Cb -0.17 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 2ny1 s GLU 1091CO -0.19 -0.38 0.07 -2.00 0.02 0.00 0.00 175.26 172.78 2ny1 s GLU 1092N 2.19 3.10 -0.09 1.61 2.12 -1.26 -1.08 118.70 125.29 2ny1 s GLU 1092Ca 0.17 -0.41 -0.05 0.00 0.36 0.00 0.00 54.97 55.04 2ny1 s GLU 1092Cb -0.16 -2.89 0.04 0.00 0.26 0.00 0.00 34.13 31.38 2ny1 s GLU 1092CO 0.10 0.68 0.21 0.54 -0.54 0.00 0.00 175.26 176.26 2ny1 s VAL 1093N -1.09 -0.04 -0.15 3.70 0.11 0.11 -4.23 120.40 118.81 2ny1 s VAL 1093Ca 0.19 0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 59.20 2ny1 s VAL 1093Cb -0.12 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2ny1 s VAL 1093CO 0.09 0.06 0.55 -1.58 -3.33 0.00 0.00 175.10 170.90 2ny1 s GLN 1094N 1.18 4.28 -0.20 1.54 0.74 0.17 0.30 119.66 127.68 2ny1 s GLN 1094Ca -0.09 0.53 -0.06 0.00 0.05 0.00 0.00 55.36 55.79 2ny1 s GLN 1094Cb -0.10 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 2ny1 s GLN 1094CO -0.07 -0.03 0.03 -1.17 -0.55 0.00 0.00 175.29 173.50 2ny1 s LEU 1095N 1.21 3.49 -0.18 3.68 2.96 0.56 -0.91 118.68 129.48 2ny1 s LEU 1095Ca 0.28 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.09 2ny1 s LEU 1095Cb -0.16 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.65 2ny1 s LEU 1095CO 0.11 0.10 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.33 2ny1 s LEU 1096N 0.79 2.37 -0.22 -0.68 2.01 -0.45 -1.95 118.68 120.56 2ny1 s LEU 1096Ca 0.02 -0.56 -0.05 0.00 0.01 0.00 0.00 54.13 53.55 2ny1 s LEU 1096Cb -0.14 -1.56 -0.02 0.00 0.01 0.00 0.00 46.19 44.49 2ny1 s LEU 1096CO 0.02 0.01 0.01 -0.69 1.01 0.00 0.00 176.35 176.71 2ny1 s VAL 1097N 1.24 3.84 0.19 -1.59 1.01 -1.26 0.16 120.40 124.00 2ny1 s VAL 1097Ca 0.03 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2ny1 s VAL 1097Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2ny1 s VAL 1097CO -0.08 0.40 -0.10 -0.36 0.00 0.00 0.00 175.10 174.96 2ny1 s PHE 1098N 1.39 2.61 0.02 5.22 0.08 -0.23 -4.14 117.98 122.94 2ny1 s PHE 1098Ca 0.05 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.89 2ny1 s PHE 1098Cb -0.15 -1.26 -0.01 0.00 -0.57 0.00 0.00 43.02 41.03 2ny1 s PHE 1098CO 0.01 0.53 -0.08 0.20 -0.10 0.00 0.00 175.22 175.77 2ny1 s GLY 1099N -2.92 0.46 -0.08 4.36 0.00 -0.36 0.08 107.32 108.87 2ny1 s GLY 1099Ca 0.25 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 2ny1 s GLY 1099CO 0.15 -0.52 -0.02 -2.27 0.00 0.00 0.00 173.10 170.44 2ny1 s LEU 1100N -0.79 0.77 0.17 0.66 0.20 -1.26 0.18 118.68 118.60 2ny1 s LEU 1100Ca -0.02 -0.13 0.06 0.00 0.69 0.00 0.00 54.13 54.74 2ny1 s LEU 1100Cb -0.06 -0.51 -0.04 0.00 -0.43 0.00 0.00 46.19 45.14 2ny1 s LEU 1100CO 0.00 -0.17 -0.13 0.42 -0.29 0.00 0.00 176.35 176.19 2ny1 s THR 1101N 1.82 1.43 -0.17 3.68 -4.23 -0.89 -4.98 115.64 112.30 2ny1 s THR 1101Ca 0.03 -2.07 -0.19 0.00 -1.18 0.00 0.00 61.69 58.28 2ny1 s THR 1101Cb -0.12 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.80 2ny1 s THR 1101CO -0.05 -0.63 0.53 0.00 -0.54 0.00 0.00 174.62 173.93 2ny1 s ALA 1102N -3.00 3.51 0.32 3.99 0.00 -1.26 -0.78 121.76 124.54 2ny1 s ALA 1102Ca 0.18 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.91 2ny1 s ALA 1102Cb 0.00 -2.79 0.70 0.00 0.00 0.00 0.00 23.12 21.02 2ny1 s ALA 1102CO 0.03 -0.30 1.85 -0.91 0.00 0.00 0.00 175.76 176.43 2ny1 h ASN 1103N 7.20 0.79 -4.44 0.00 4.21 -0.58 -3.40 115.58 119.34 2ny1 h ASN 1103Ca -0.36 0.05 -0.63 0.00 1.21 0.00 0.00 56.30 56.57 2ny1 h ASN 1103Cb 1.16 -0.11 -0.29 0.00 -1.12 0.00 0.00 38.32 37.96 2ny1 h ASN 1103CO 0.75 0.40 -0.86 -0.94 -1.29 0.00 0.00 177.43 175.49 2ny1 s SER 1104N -5.73 2.63 0.37 5.81 1.04 -1.26 -5.08 113.70 111.48 2ny1 s SER 1104Ca -0.11 -0.43 -0.12 0.00 0.48 0.00 0.00 55.95 55.77 2ny1 s SER 1104Cb 0.22 -0.28 -0.10 0.00 0.10 0.00 0.00 66.02 65.96 2ny1 s SER 1104CO 0.80 0.26 -0.13 -0.67 0.98 0.00 0.00 173.24 174.48 2ny1 n ASP 1105N 2.40 -2.61 -0.22 7.02 4.64 -1.26 -4.83 116.55 121.69 2ny1 n ASP 1105Ca -0.16 0.40 0.07 0.00 -1.38 0.00 0.00 54.79 53.73 2ny1 n ASP 1105Cb 0.52 -0.56 0.35 0.00 -1.04 0.00 0.00 41.12 40.39 2ny1 n ASP 1105CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 2ny1 h THR 1106N -0.07 0.98 -2.28 5.18 1.35 -1.91 -3.41 112.91 112.76 2ny1 h THR 1106Ca -0.27 -0.26 -0.52 0.00 -0.55 0.00 0.00 66.41 64.80 2ny1 h THR 1106Cb 0.95 0.15 -0.05 0.00 -1.73 0.00 0.00 68.15 67.47 2ny1 h THR 1106CO 0.26 0.14 1.25 -1.00 -0.25 0.00 0.00 175.52 175.92 2ny1 s HIS 1107N -5.70 1.90 0.20 4.73 3.76 -1.25 -0.88 115.29 118.05 2ny1 s HIS 1107Ca -0.10 0.57 0.04 0.00 -0.15 0.00 0.00 55.06 55.42 2ny1 s HIS 1107Cb 0.20 -4.24 -0.05 0.00 1.11 0.00 0.00 32.58 29.60 2ny1 s HIS 1107CO 0.78 -2.26 -0.06 -0.51 -0.85 0.00 0.00 174.74 171.84 2ny1 s LEU 1108N 7.71 2.37 0.27 0.89 1.43 0.16 -5.00 118.68 126.51 2ny1 s LEU 1108Ca 0.60 -1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2ny1 s LEU 1108Cb -0.12 -0.35 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 2ny1 s LEU 1108CO 0.22 -0.40 0.50 -0.76 0.23 0.00 0.00 176.35 176.13 2ny1 s LEU 1109N -3.26 4.11 0.41 1.79 1.02 -1.26 -0.56 118.68 120.93 2ny1 s LEU 1109Ca 0.23 0.56 -0.27 0.00 0.02 0.00 0.00 54.13 54.67 2ny1 s LEU 1109Cb 0.04 -3.37 -0.10 0.00 0.02 0.00 0.00 46.19 42.78 2ny1 s LEU 1109CO 0.05 -0.16 1.47 0.00 0.02 0.00 0.00 176.35 177.73 2ny1 n GLN 1110N -0.99 2.50 -0.13 1.70 6.02 -1.26 -1.71 117.38 123.51 2ny1 n GLN 1110Ca -0.03 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 2ny1 n GLN 1110Cb 0.54 -2.65 0.00 0.00 1.02 0.00 0.00 30.24 29.15 2ny1 n GLN 1110CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ny1 n GLY 1111N 0.50 2.58 3.92 1.08 0.00 0.14 -4.92 105.19 108.50 2ny1 n GLY 1111Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2ny1 n GLY 1111CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ny1 s GLN 1112N -0.05 3.19 0.27 1.61 -0.21 -0.69 -4.47 119.66 119.30 2ny1 s GLN 1112Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 55.36 55.33 2ny1 s GLN 1112Cb 0.00 -2.36 -0.06 0.00 1.00 0.00 0.00 33.01 31.60 2ny1 s GLN 1112CO 0.00 -0.44 0.54 -1.12 -2.12 0.00 0.00 175.29 172.16 2ny1 s SER 1113N -4.21 6.48 -0.07 5.90 0.01 -1.18 -0.56 113.70 120.07 2ny1 s SER 1113Ca 0.50 0.75 0.04 0.00 1.31 0.00 0.00 55.95 58.55 2ny1 s SER 1113Cb -0.10 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2ny1 s SER 1113CO 0.44 -0.16 -0.19 -0.22 0.41 0.00 0.00 173.24 173.52 2ny1 s LEU 1114N -3.35 1.92 -0.09 2.44 2.96 -0.37 -4.96 118.68 117.23 2ny1 s LEU 1114Ca 0.44 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2ny1 s LEU 1114Cb -0.11 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.46 2ny1 s LEU 1114CO 0.28 0.14 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.40 2ny1 s THR 1115N 0.27 1.45 -0.12 3.68 2.01 -1.26 -0.70 115.64 120.98 2ny1 s THR 1115Ca -0.12 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 2ny1 s THR 1115Cb -0.15 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 2ny1 s THR 1115CO 0.05 0.43 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.60 2ny1 s LEU 1116N 0.81 3.22 -0.14 4.42 1.43 0.11 0.24 118.68 128.78 2ny1 s LEU 1116Ca -0.11 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2ny1 s LEU 1116Cb -0.16 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 2ny1 s LEU 1116CO 0.01 0.25 -0.15 -0.89 0.23 0.00 0.00 176.35 175.81 2ny1 s THR 1117N -0.15 2.77 -0.19 5.49 2.01 0.04 -0.64 115.64 124.96 2ny1 s THR 1117Ca 0.03 -0.75 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 2ny1 s THR 1117Cb -0.13 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2ny1 s THR 1117CO 0.03 0.52 0.56 -0.22 -0.69 0.00 0.00 174.62 174.81 2ny1 s LEU 1118N 0.63 4.16 -0.16 4.42 2.96 0.17 -2.10 118.68 128.75 2ny1 s LEU 1118Ca -0.08 0.75 -0.21 0.00 -0.22 0.00 0.00 54.13 54.37 2ny1 s LEU 1118Cb -0.16 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 2ny1 s LEU 1118CO 0.03 -0.20 0.64 -1.61 -1.32 0.00 0.00 176.35 173.89 2ny1 s GLU 1119N 1.63 4.27 0.05 1.98 2.02 0.48 -4.88 118.70 124.24 2ny1 s GLU 1119Ca 0.26 0.68 0.03 0.00 0.02 0.00 0.00 54.97 55.96 2ny1 s GLU 1119Cb -0.16 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 2ny1 s GLU 1119CO 0.10 -0.15 -0.09 -1.54 0.02 0.00 0.00 175.26 173.59 2ny1 s SER 1120N 1.07 1.06 0.59 -0.19 1.04 -1.26 -1.23 113.70 114.78 2ny1 s SER 1120Ca 0.31 -0.53 -0.16 0.00 0.48 0.00 0.00 55.95 56.05 2ny1 s SER 1120Cb -0.16 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 2ny1 s SER 1120CO 0.12 -0.15 1.06 -2.16 0.98 0.00 0.00 173.24 173.09 2ny1 s PRO 1121N -1.49 3.30 0.34 4.02 0.04 -1.26 -4.99 135.00 134.96 2ny1 s PRO 1121Ca -0.07 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.91 2ny1 s PRO 1121Cb -0.09 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 2ny1 s PRO 1121CO 0.01 -0.83 1.45 -2.30 0.04 0.00 0.00 177.00 175.37 2ny1 n PRO 1122N -2.02 2.49 -0.28 0.56 -0.02 -1.26 -2.85 135.00 131.62 2ny1 n PRO 1122Ca 0.09 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2ny1 n PRO 1122Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2ny1 n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ny1 n GLY 1123N 0.94 0.92 3.63 -1.23 0.00 -1.26 -5.05 105.19 103.14 2ny1 n GLY 1123Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2ny1 n GLY 1123CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ny1 s SER 1124N -2.95 5.28 -0.56 1.61 1.04 -1.13 -5.07 113.70 111.92 2ny1 s SER 1124Ca 0.00 0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.54 2ny1 s SER 1124Cb 0.00 -1.71 0.15 0.00 0.10 0.00 0.00 66.02 64.55 2ny1 s SER 1124CO 0.00 0.27 0.34 -0.44 0.98 0.00 0.00 173.24 174.39 2ny1 s SER 1125N -0.22 4.22 0.36 7.02 0.01 -1.26 -4.89 113.70 118.94 2ny1 s SER 1125Ca 0.06 -3.24 -0.13 0.00 1.31 0.00 0.00 55.95 53.95 2ny1 s SER 1125Cb -0.12 -1.47 -0.08 0.00 0.21 0.00 0.00 66.02 64.56 2ny1 s SER 1125CO 0.02 -0.18 0.75 -2.16 0.41 0.00 0.00 173.24 172.08 2ny1 s PRO 1126N -0.56 3.89 -0.11 12.44 0.04 -1.26 -4.91 135.00 144.52 2ny1 s PRO 1126Ca 0.21 0.57 -0.06 0.00 0.04 0.00 0.00 61.00 61.75 2ny1 s PRO 1126Cb -0.17 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2ny1 s PRO 1126CO -0.07 0.06 0.13 -1.12 0.04 0.00 0.00 177.00 176.04 2ny1 s SER 1127N -2.72 6.28 0.02 6.66 0.01 -0.15 -4.61 113.70 119.20 2ny1 s SER 1127Ca 0.53 0.44 0.07 0.00 1.31 0.00 0.00 55.95 58.29 2ny1 s SER 1127Cb -0.10 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 2ny1 s SER 1127CO 0.24 0.40 -0.21 -0.69 0.41 0.00 0.00 173.24 173.40 2ny1 s VAL 1128N -1.03 1.69 -0.05 3.43 1.01 -0.63 0.15 120.40 124.97 2ny1 s VAL 1128Ca 0.15 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2ny1 s VAL 1128Cb -0.12 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.85 2ny1 s VAL 1128CO 0.04 0.31 0.03 -1.58 0.00 0.00 0.00 175.10 173.90 2ny1 s GLN 1129N -0.93 0.26 0.08 2.72 0.74 -0.53 -1.75 119.66 120.25 2ny1 s GLN 1129Ca 0.08 0.24 0.07 0.00 0.05 0.00 0.00 55.36 55.79 2ny1 s GLN 1129Cb -0.09 -0.73 -0.04 0.00 1.10 0.00 0.00 33.01 33.26 2ny1 s GLN 1129CO 0.01 -0.31 -0.11 0.00 -0.55 0.00 0.00 175.29 174.33 2ny1 s ARG 1131N -1.99 0.35 0.72 0.00 3.52 0.24 -1.25 118.95 120.55 2ny1 s ARG 1131Ca 0.20 0.12 -0.10 0.00 -0.13 0.00 0.00 55.73 55.81 2ny1 s ARG 1131Cb -0.11 -0.62 0.04 0.00 -1.56 0.00 0.00 34.95 32.70 2ny1 s ARG 1131CO 0.12 -0.20 1.09 -1.54 -0.81 0.00 0.00 175.30 173.96 2ny1 s SER 1132N 1.40 5.08 0.54 -2.12 1.04 0.54 -1.13 113.70 119.05 2ny1 s SER 1132Ca -0.04 0.87 0.26 0.00 0.48 0.00 0.00 55.95 57.52 2ny1 s SER 1132Cb -0.13 -1.58 1.42 0.00 0.10 0.00 0.00 66.02 65.83 2ny1 s SER 1132CO -0.03 -1.52 2.00 -0.65 0.98 0.00 0.00 173.24 174.02 2ny1 h PRO 1133N -0.71 0.00 -0.01 4.02 0.11 -1.80 -1.04 132.00 132.58 2ny1 h PRO 1133Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2ny1 h PRO 1133Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2ny1 h PRO 1133CO 0.64 0.00 -0.12 2.89 -0.21 0.00 0.00 178.00 181.20 2ny1 n ARG 1134N -4.30 0.89 -0.00 1.05 1.85 -1.22 -4.90 116.66 110.03 2ny1 n ARG 1134Ca 0.09 -0.38 0.00 0.00 -1.00 0.00 0.00 57.85 56.56 2ny1 n ARG 1134Cb 0.58 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 2ny1 n ARG 1134CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ny1 n GLY 1135N 1.25 0.50 3.64 2.89 0.00 -0.39 -5.05 105.19 108.03 2ny1 n GLY 1135Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2ny1 n GLY 1135CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ny1 s LYS 1136N -1.00 3.89 0.05 1.61 2.47 -1.26 -4.73 119.74 120.77 2ny1 s LYS 1136Ca 0.00 2.11 0.08 0.00 -1.56 0.00 0.00 55.97 56.60 2ny1 s LYS 1136Cb 0.00 -4.11 -0.03 0.00 -1.46 0.00 0.00 37.83 32.23 2ny1 s LYS 1136CO 0.00 -1.21 -0.21 0.54 0.16 0.00 0.00 175.35 174.64 2ny1 s ASN 1137N 4.67 3.62 0.05 1.43 6.03 -1.26 -0.34 114.94 129.14 2ny1 s ASN 1137Ca 0.81 -0.49 0.04 0.00 -1.03 0.00 0.00 52.86 52.20 2ny1 s ASN 1137Cb -0.33 -0.51 -0.02 0.00 -3.03 0.00 0.00 41.25 37.36 2ny1 s ASN 1137CO 0.33 0.25 -0.12 0.27 -2.03 0.00 0.00 177.10 175.80 2ny1 s ILE 1138N -0.90 0.96 0.12 0.54 -4.36 -0.38 -4.98 121.20 112.19 2ny1 s ILE 1138Ca 0.14 -1.07 0.06 0.00 -0.26 0.00 0.00 60.65 59.51 2ny1 s ILE 1138Cb -0.10 -0.91 -0.04 0.00 1.25 0.00 0.00 42.46 42.66 2ny1 s ILE 1138CO 0.05 -0.15 -0.14 -1.10 0.24 0.00 0.00 174.94 173.84 2ny1 s GLN 1139N -1.37 1.01 0.00 0.37 1.11 -1.26 -0.91 119.66 118.60 2ny1 s GLN 1139Ca -0.02 -1.22 0.00 0.00 0.01 0.00 0.00 55.36 54.13 2ny1 s GLN 1139Cb -0.09 -0.89 0.00 0.00 -1.01 0.00 0.00 33.01 31.02 2ny1 s GLN 1139CO 0.01 0.17 0.00 0.41 0.01 0.00 0.00 175.29 175.90 2ny1 n GLY 1140N 0.58 0.92 0.43 3.09 0.00 -0.72 -4.91 105.19 104.57 2ny1 n GLY 1140Ca -0.16 -0.73 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 2ny1 n GLY 1140CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ny1 n GLY 1141N 0.00 -0.23 0.13 -0.02 0.00 -1.26 -1.61 105.19 102.20 2ny1 n GLY 1141Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2ny1 n GLY 1141CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ny1 n LYS 1142N -2.53 0.40 -4.64 1.61 4.81 -1.26 -4.49 118.16 112.06 2ny1 n LYS 1142Ca -0.00 0.10 -0.30 0.00 -0.87 0.00 0.00 58.31 57.24 2ny1 n LYS 1142Cb 0.01 -1.30 -0.17 0.00 0.02 0.00 0.00 35.03 33.59 2ny1 n LYS 1142CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2ny1 s THR 1143N -2.32 1.75 -0.10 3.15 -1.32 -1.26 0.44 115.64 115.98 2ny1 s THR 1143Ca -0.22 -0.80 0.02 0.00 -1.21 0.00 0.00 61.69 59.47 2ny1 s THR 1143Cb 0.06 -1.57 -0.02 0.00 -1.51 0.00 0.00 72.50 69.47 2ny1 s THR 1143CO 0.37 0.49 -0.16 -0.76 -2.21 0.00 0.00 174.62 172.35 2ny1 s LEU 1144N 0.82 2.59 -0.03 9.08 1.02 0.18 -4.80 118.68 127.55 2ny1 s LEU 1144Ca -0.09 -0.33 0.01 0.00 0.02 0.00 0.00 54.13 53.74 2ny1 s LEU 1144Cb -0.16 -1.55 0.02 0.00 0.02 0.00 0.00 46.19 44.52 2ny1 s LEU 1144CO -0.00 0.22 -0.04 -0.55 0.02 0.00 0.00 176.35 176.00 2ny1 s SER 1145N -0.00 0.78 -0.20 2.29 0.15 -1.26 0.10 113.70 115.55 2ny1 s SER 1145Ca -0.05 -0.11 -0.06 0.00 0.70 0.00 0.00 55.95 56.43 2ny1 s SER 1145Cb -0.14 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 63.82 2ny1 s SER 1145CO 0.04 -0.03 0.04 -0.69 1.20 0.00 0.00 173.24 173.80 2ny1 s VAL 1146N 0.63 4.33 0.10 4.45 1.01 0.12 -4.99 120.40 126.05 2ny1 s VAL 1146Ca -0.08 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2ny1 s VAL 1146Cb -0.11 -2.96 -0.20 0.00 0.00 0.00 0.00 36.38 33.10 2ny1 s VAL 1146CO -0.00 0.42 1.26 0.77 0.00 0.00 0.00 175.10 177.55 2ny1 h SER 1147N 7.31 0.76 -3.26 3.32 4.64 -1.89 -0.97 113.55 123.46 2ny1 h SER 1147Ca -0.36 -0.59 -0.51 0.00 -0.47 0.00 0.00 61.79 59.86 2ny1 h SER 1147Cb 1.18 -0.23 -0.38 0.00 -0.31 0.00 0.00 62.40 62.66 2ny1 h SER 1147CO 0.63 1.39 -0.79 -1.10 -0.87 0.00 0.00 176.83 176.09 2ny1 s GLN 1148N -3.36 1.19 0.29 4.77 -0.21 -1.26 -3.11 119.66 117.97 2ny1 s GLN 1148Ca -0.08 -0.28 -0.29 0.00 0.02 0.00 0.00 55.36 54.73 2ny1 s GLN 1148Cb 0.08 -1.64 -0.09 0.00 1.00 0.00 0.00 33.01 32.35 2ny1 s GLN 1148CO 0.90 -0.37 1.07 -0.51 -2.12 0.00 0.00 175.29 174.25 2ny1 s LEU 1149N 1.76 4.51 0.23 2.90 1.02 0.27 -4.81 118.68 124.57 2ny1 s LEU 1149Ca 0.03 2.19 0.02 0.00 0.02 0.00 0.00 54.13 56.38 2ny1 s LEU 1149Cb -0.14 -3.70 -0.04 0.00 0.02 0.00 0.00 46.19 42.34 2ny1 s LEU 1149CO -0.07 -0.14 0.40 -1.61 0.02 0.00 0.00 176.35 174.95 2ny1 s GLU 1150N -1.54 3.48 0.37 1.70 0.41 -1.26 -0.68 118.70 121.18 2ny1 s GLU 1150Ca 0.46 -0.50 0.10 0.00 -0.41 0.00 0.00 54.97 54.62 2ny1 s GLU 1150Cb -0.30 -2.84 0.87 0.00 -1.78 0.00 0.00 34.13 30.09 2ny1 s GLU 1150CO 0.38 0.37 1.89 1.25 -0.49 0.00 0.00 175.26 178.67 2ny1 h LEU 1151N 1.53 0.59 0.00 1.80 5.85 -1.92 -0.46 115.31 122.70 2ny1 h LEU 1151Ca -0.50 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2ny1 h LEU 1151Cb 1.21 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2ny1 h LEU 1151CO 0.65 0.31 0.00 0.00 -0.34 0.00 0.00 178.44 179.06 2ny1 n GLN 1152N -4.53 0.10 -0.00 1.25 3.00 -1.26 -1.79 117.38 114.15 2ny1 n GLN 1152Ca 0.16 0.20 0.14 0.00 -0.01 0.00 0.00 57.00 57.49 2ny1 n GLN 1152Cb 0.45 -1.50 0.74 0.00 0.00 0.00 0.00 30.24 29.93 2ny1 n GLN 1152CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2ny1 n ASP 1153N -1.40 0.60 -4.73 1.08 8.00 -0.18 -3.40 116.55 116.52 2ny1 n ASP 1153Ca 0.05 -1.25 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 2ny1 n ASP 1153Cb 0.15 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 2ny1 n ASP 1153CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ny1 s SER 1154N -1.94 7.12 0.00 -2.24 0.15 -0.74 -4.62 113.70 111.44 2ny1 s SER 1154Ca 0.42 2.10 0.00 0.00 0.70 0.00 0.00 55.95 59.16 2ny1 s SER 1154Cb 0.21 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2ny1 s SER 1154CO 0.34 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2ny1 n GLY 1155N 2.66 0.53 3.60 9.45 0.00 0.11 -4.81 105.19 116.73 2ny1 n GLY 1155Ca 0.06 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 2ny1 n GLY 1155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ny1 s THR 1156N -1.55 5.09 0.14 2.61 2.01 -1.26 -0.57 115.64 122.10 2ny1 s THR 1156Ca 0.00 0.69 -0.13 0.00 0.31 0.00 0.00 61.69 62.56 2ny1 s THR 1156Cb 0.00 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.64 2ny1 s THR 1156CO 0.00 0.06 0.52 0.26 -0.69 0.00 0.00 174.62 174.77 2ny1 s TRP 1157N 2.25 3.59 -0.19 4.92 0.52 0.40 -3.99 118.94 126.44 2ny1 s TRP 1157Ca 0.19 1.00 0.00 0.00 0.02 0.00 0.00 56.10 57.31 2ny1 s TRP 1157Cb -0.16 -2.32 0.02 0.00 -1.15 0.00 0.00 33.47 29.86 2ny1 s TRP 1157CO 0.10 0.44 -0.17 0.99 0.02 0.00 0.00 176.95 178.33 2ny1 s THR 1158N -1.46 2.30 -0.14 2.01 2.01 -0.28 -1.37 115.64 118.70 2ny1 s THR 1158Ca 0.37 -0.86 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 2ny1 s THR 1158Cb -0.15 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 2ny1 s THR 1158CO 0.19 0.51 -0.13 0.00 -0.69 0.00 0.00 174.62 174.50 2ny1 s THR 1160N 0.59 3.96 -0.23 0.00 2.01 0.80 0.07 115.64 122.83 2ny1 s THR 1160Ca -0.08 -0.33 -0.07 0.00 0.31 0.00 0.00 61.69 61.52 2ny1 s THR 1160Cb -0.16 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 2ny1 s THR 1160CO 0.03 0.48 0.07 -0.69 -0.69 0.00 0.00 174.62 173.83 2ny1 s VAL 1161N 0.44 4.47 -0.19 3.82 1.01 -0.13 -1.46 120.40 128.37 2ny1 s VAL 1161Ca -0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 2ny1 s VAL 1161Cb -0.14 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2ny1 s VAL 1161CO 0.03 0.37 0.01 -0.22 0.00 0.00 0.00 175.10 175.28 2ny1 s LEU 1162N 1.28 3.36 -0.17 3.92 0.20 0.12 -1.82 118.68 125.57 2ny1 s LEU 1162Ca 0.05 -0.14 -0.11 0.00 0.69 0.00 0.00 54.13 54.62 2ny1 s LEU 1162Cb -0.15 -1.84 0.05 0.00 -0.43 0.00 0.00 46.19 43.83 2ny1 s LEU 1162CO 0.04 0.10 0.43 -1.58 -0.29 0.00 0.00 176.35 175.05 2ny1 s GLN 1163N 0.77 0.45 -1.34 1.98 2.00 0.40 -0.98 119.66 122.94 2ny1 s GLN 1163Ca 0.01 0.76 -0.10 0.00 -2.00 0.00 0.00 55.36 54.02 2ny1 s GLN 1163Cb -0.14 0.07 0.08 0.00 0.80 0.00 0.00 33.01 33.81 2ny1 s GLN 1163CO 0.02 -0.13 0.54 0.09 -0.50 0.00 0.00 175.29 175.31 2ny1 n ASN 1164N 3.83 -3.84 0.00 6.67 5.03 -1.26 -0.49 115.26 125.20 2ny1 n ASN 1164Ca -0.20 -0.45 0.00 0.00 0.87 0.00 0.00 54.58 54.80 2ny1 n ASN 1164Cb 0.56 -3.17 0.00 0.00 -1.02 0.00 0.00 39.78 36.15 2ny1 n ASN 1164CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ny1 n GLN 1165N -3.83 0.00 -2.91 3.52 1.13 -1.26 -4.99 117.38 109.04 2ny1 n GLN 1165Ca -0.01 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.80 2ny1 n GLN 1165Cb 0.54 -0.64 0.00 0.00 0.11 0.00 0.00 30.24 30.25 2ny1 n GLN 1165CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2ny1 s LYS 1166N -0.09 3.38 0.04 -1.09 3.01 0.36 -5.09 119.74 120.25 2ny1 s LYS 1166Ca 0.00 -0.11 -0.07 0.00 -1.01 0.00 0.00 55.97 54.78 2ny1 s LYS 1166Cb 0.00 -2.49 -0.01 0.00 -1.01 0.00 0.00 37.83 34.33 2ny1 s LYS 1166CO 0.00 -0.15 0.12 -1.59 0.51 0.00 0.00 175.35 174.24 2ny1 s LYS 1167N -4.60 0.61 0.10 1.68 -2.85 -1.26 -0.45 119.74 112.98 2ny1 s LYS 1167Ca 0.46 -0.70 0.07 0.00 -1.00 0.00 0.00 55.97 54.80 2ny1 s LYS 1167Cb -0.10 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.88 2ny1 s LYS 1167CO 0.41 -0.16 -0.18 0.14 0.10 0.00 0.00 175.35 175.66 2ny1 s VAL 1168N -2.53 1.49 -0.10 1.79 -7.23 -0.76 -4.95 120.40 108.11 2ny1 s VAL 1168Ca -0.06 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2ny1 s VAL 1168Cb -0.01 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 2ny1 s VAL 1168CO -0.04 -0.19 -0.10 -0.70 -0.31 0.00 0.00 175.10 173.75 2ny1 s GLU 1169N -2.09 3.12 -0.01 4.82 2.12 -1.26 -0.95 118.70 124.45 2ny1 s GLU 1169Ca 0.05 -0.63 0.05 0.00 0.36 0.00 0.00 54.97 54.80 2ny1 s GLU 1169Cb -0.09 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.66 2ny1 s GLU 1169CO 0.04 0.40 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.96 2ny1 s PHE 1170N -0.11 2.69 -0.13 5.30 0.08 0.11 -4.97 117.98 120.95 2ny1 s PHE 1170Ca -0.00 -0.17 0.03 0.00 0.12 0.00 0.00 56.93 56.91 2ny1 s PHE 1170Cb -0.13 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 2ny1 s PHE 1170CO 0.03 0.25 -0.21 0.15 -0.10 0.00 0.00 175.22 175.34 2ny1 s LYS 1171N -1.14 2.88 -0.11 0.44 1.02 -1.26 -0.42 119.74 121.16 2ny1 s LYS 1171Ca 0.14 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.35 2ny1 s LYS 1171Cb -0.11 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 2ny1 s LYS 1171CO 0.04 0.01 -0.21 0.42 -0.92 0.00 0.00 175.35 174.69 2ny1 s ILE 1172N 0.77 1.87 -0.14 2.17 -1.09 -0.47 -4.96 121.20 119.34 2ny1 s ILE 1172Ca -0.09 -0.89 -0.22 0.00 -2.23 0.00 0.00 60.65 57.22 2ny1 s ILE 1172Cb -0.16 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.05 2ny1 s ILE 1172CO -0.00 0.52 0.68 -1.81 -1.23 0.00 0.00 174.94 173.09 2ny1 s ASP 1173N 0.62 6.83 -0.10 3.58 1.01 -1.26 -0.45 116.67 126.90 2ny1 s ASP 1173Ca -0.13 1.01 0.03 0.00 0.71 0.00 0.00 52.55 54.17 2ny1 s ASP 1173Cb -0.17 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.39 2ny1 s ASP 1173CO 0.04 -0.23 -0.21 -0.63 0.21 0.00 0.00 175.17 174.35 2ny1 s ILE 1174N 1.51 1.85 -0.23 0.77 -1.09 0.26 -4.73 121.20 119.53 2ny1 s ILE 1174Ca 0.33 -0.89 -0.08 0.00 -2.23 0.00 0.00 60.65 57.79 2ny1 s ILE 1174Cb -0.16 -1.62 -0.04 0.00 -1.58 0.00 0.00 42.46 39.06 2ny1 s ILE 1174CO 0.13 0.51 0.08 -0.69 -1.23 0.00 0.00 174.94 173.75 2ny1 s VAL 1175N 0.53 4.59 -0.18 2.92 1.01 -0.06 0.05 120.40 129.26 2ny1 s VAL 1175Ca -0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2ny1 s VAL 1175Cb -0.17 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 2ny1 s VAL 1175CO 0.05 0.36 -0.12 -0.69 0.00 0.00 0.00 175.10 174.70 2ny1 s VAL 1176N 1.27 2.84 0.24 2.92 1.01 -1.26 0.36 120.40 127.78 2ny1 s VAL 1176Ca 0.05 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 2ny1 s VAL 1176Cb -0.15 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 2ny1 s VAL 1176CO 0.04 0.49 1.02 -0.76 0.00 0.00 0.00 175.10 175.89 2ny1 s LEU 1177N 1.09 4.59 0.65 3.92 1.02 0.28 -4.81 118.68 125.42 2ny1 s LEU 1177Ca 0.00 2.08 -0.07 0.00 0.02 0.00 0.00 54.13 56.16 2ny1 s LEU 1177Cb -0.14 -3.61 0.03 0.00 0.02 0.00 0.00 46.19 42.48 2ny1 s LEU 1177CO -0.03 -0.01 0.97 0.00 0.02 0.00 0.00 176.35 177.30 2ny1 s ALA 1178N -1.00 3.21 0.14 4.21 0.00 -1.26 -4.25 121.76 122.81 2ny1 s ALA 1178Ca 0.44 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 2ny1 s ALA 1178Cb -0.28 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.22 2ny1 s ALA 1178CO 0.36 -1.05 0.37 -0.59 0.00 0.00 0.00 175.76 174.84 2ny1 s PHE 1179N -3.13 0.00 -0.41 0.00 -0.12 -1.26 -5.08 117.98 107.98 2ny1 s PHE 1179Ca 0.57 -0.35 -0.27 0.00 -0.05 0.00 0.00 56.93 56.83 2ny1 s PHE 1179Cb -0.11 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.48 2ny1 s PHE 1179CO 0.45 -0.73 1.00 -0.65 -0.05 0.00 0.00 175.22 175.24 2ny1 s GLN 1180N -3.86 3.78 0.00 1.99 -1.52 -1.26 -5.25 119.66 113.53 2ny1 s GLN 1180Ca 0.08 0.55 0.00 0.00 -1.95 0.00 0.00 55.36 54.04 2ny1 s GLN 1180Cb 0.02 -3.85 0.00 0.00 -0.22 0.00 0.00 33.01 28.96 2ny1 s GLN 1180CO -0.07 -1.11 0.42 1.63 -0.25 0.00 0.00 175.29 175.92