#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hyb s LYS 1002N 0.00 4.00 0.28 2.12 1.02 -1.26 -1.96 119.74 123.93 2hyb s LYS 1002Ca 0.00 -0.32 0.08 0.00 0.02 0.00 0.00 55.97 55.74 2hyb s LYS 1002Cb 0.00 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 2hyb s LYS 1002CO 0.00 0.20 0.15 -0.06 -0.92 0.00 0.00 175.35 174.72 2hyb s PHE 1003N 0.60 2.93 -0.13 3.18 0.08 0.34 0.28 117.98 125.25 2hyb s PHE 1003Ca 0.05 -0.19 -0.04 0.00 0.12 0.00 0.00 56.93 56.87 2hyb s PHE 1003Cb -0.13 -1.42 0.06 0.00 -0.57 0.00 0.00 43.02 40.96 2hyb s PHE 1003CO 0.01 0.49 0.12 0.00 -0.10 0.00 0.00 175.22 175.74 2hyb s ALA 1004N -2.24 0.15 -0.23 5.36 0.00 -0.35 -0.49 121.76 123.96 2hyb s ALA 1004Ca 0.34 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.29 2hyb s ALA 1004Cb -0.07 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2hyb s ALA 1004CO 0.24 -0.93 0.05 -0.51 0.00 0.00 0.00 175.76 174.61 2hyb s LEU 1005N 2.21 3.45 -0.16 0.00 1.43 -0.86 -1.32 118.68 123.42 2hyb s LEU 1005Ca 0.04 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 2hyb s LEU 1005Cb -0.14 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2hyb s LEU 1005CO -0.08 0.02 0.04 -1.58 0.23 0.00 0.00 176.35 174.98 2hyb s GLN 1006N 1.28 3.80 -0.18 1.70 0.74 -0.50 -0.91 119.66 125.59 2hyb s GLN 1006Ca 0.05 -0.37 0.01 0.00 0.05 0.00 0.00 55.36 55.09 2hyb s GLN 1006Cb -0.15 -3.12 0.02 0.00 1.10 0.00 0.00 33.01 30.87 2hyb s GLN 1006CO 0.03 0.34 -0.17 0.42 -0.55 0.00 0.00 175.29 175.35 2hyb s ILE 1007N 0.17 1.90 -2.15 -2.34 1.01 -0.42 -1.36 121.20 118.01 2hyb s ILE 1007Ca 0.03 -0.89 0.22 0.00 0.00 0.00 0.00 60.65 60.01 2hyb s ILE 1007Cb -0.13 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.61 2hyb s ILE 1007CO 0.01 0.47 1.09 0.59 0.00 0.00 0.00 174.94 177.09 2hyb n ASN 1008N 4.66 2.18 -4.41 3.58 3.02 -0.83 -1.10 115.26 122.36 2hyb n ASN 1008Ca -0.19 -1.59 -0.22 0.00 -0.03 0.00 0.00 54.58 52.55 2hyb n ASN 1008Cb 0.49 0.37 -0.10 0.00 -0.61 0.00 0.00 39.78 39.93 2hyb n ASN 1008CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2hyb s GLU 1009N -2.28 1.50 0.91 3.52 0.41 -1.26 -2.86 118.70 118.64 2hyb s GLU 1009Ca 0.20 -1.65 -0.13 0.00 -0.41 0.00 0.00 54.97 52.98 2hyb s GLU 1009Cb 0.18 -1.49 0.14 0.00 -1.78 0.00 0.00 34.13 31.18 2hyb s GLU 1009CO 0.49 0.27 1.15 0.20 -0.49 0.00 0.00 175.26 176.88 2hyb s GLY 1010N -3.31 1.59 0.37 -1.39 0.00 -1.12 -3.49 107.32 99.97 2hyb s GLY 1010Ca 0.25 -0.60 -0.26 0.00 0.00 0.00 0.00 44.72 44.12 2hyb s GLY 1010CO 0.11 -0.03 1.11 2.56 0.00 0.00 0.00 173.10 176.85 2hyb s PRO 1011N -5.36 4.25 0.00 2.90 0.04 -1.26 -3.97 135.00 131.60 2hyb s PRO 1011Ca 0.64 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2hyb s PRO 1011Cb -0.13 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2hyb s PRO 1011CO 0.53 -0.11 0.00 0.66 0.04 0.00 0.00 177.00 178.12 2hyb n TYR 1012N 0.32 0.00 -0.23 0.56 4.02 -1.26 -4.65 117.16 115.92 2hyb n TYR 1012Ca 0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.84 2hyb n TYR 1012Cb 0.47 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.83 2hyb n TYR 1012CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 2hyb h GLN 1013N 0.00 1.08 -5.05 -0.72 5.75 -1.99 -3.43 115.11 110.74 2hyb h GLN 1013Ca 0.00 -0.29 -0.38 0.00 -0.15 0.00 0.00 58.65 57.83 2hyb h GLN 1013Cb 0.00 -0.13 -0.23 0.00 1.07 0.00 0.00 27.48 28.19 2hyb h GLN 1013CO 0.00 0.99 -0.77 -1.01 -2.65 0.00 0.00 178.83 175.39 2hyb s HIS 1014N -5.22 1.02 0.28 3.99 3.76 -1.25 -5.05 115.29 112.82 2hyb s HIS 1014Ca -0.12 -0.39 0.31 0.00 -0.15 0.00 0.00 55.06 54.71 2hyb s HIS 1014Cb 0.14 -0.60 1.43 0.00 1.11 0.00 0.00 32.58 34.66 2hyb s HIS 1014CO 0.84 0.01 2.02 0.37 -0.85 0.00 0.00 174.74 177.14 2hyb h GLN 1015N 4.77 0.00 -0.52 1.40 4.15 -1.90 -3.37 115.11 119.64 2hyb h GLN 1015Ca -0.37 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.11 2hyb h GLN 1015Cb 1.19 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.81 2hyb h GLN 1015CO 0.43 0.09 -0.25 0.00 -1.93 0.00 0.00 178.83 177.16 2hyb n ALA 1016N -2.18 -0.19 -0.16 3.38 0.00 -1.26 -0.30 120.51 119.80 2hyb n ALA 1016Ca -0.01 0.48 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 2hyb n ALA 1016Cb 0.28 -0.16 0.01 0.00 0.00 0.00 0.00 19.45 19.59 2hyb n ALA 1016CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2hyb h SER 1017N 0.00 0.58 -0.63 0.00 0.87 -1.84 0.92 113.55 113.46 2hyb h SER 1017Ca 0.13 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2hyb h SER 1017Cb 0.26 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2hyb h SER 1017CO -0.50 0.50 0.41 0.44 -0.53 0.00 0.00 176.83 177.16 2hyb h ASP 1018N 0.62 0.71 -0.48 6.23 3.32 -0.94 0.83 116.42 126.72 2hyb h ASP 1018Ca 0.17 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 2hyb h ASP 1018Cb 0.05 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2hyb h ASP 1018CO -0.03 0.52 0.17 0.28 -1.72 0.00 0.00 179.24 178.46 2hyb h SER 1019N 0.85 0.67 -0.67 6.45 0.02 -0.77 -0.34 113.55 119.76 2hyb h SER 1019Ca 0.23 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2hyb h SER 1019Cb -0.09 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2hyb h SER 1019CO -0.05 0.68 0.41 0.00 -1.14 0.00 0.00 176.83 176.72 2hyb h ALA 1020N 1.02 0.86 0.09 3.77 0.00 -0.42 -0.02 119.26 124.56 2hyb h ALA 1020Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2hyb h ALA 1020Cb 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2hyb h ALA 1020CO -0.01 0.33 -0.04 -0.92 0.00 0.00 0.00 179.25 178.60 2hyb h TYR 1021N 0.92 -0.11 -1.00 0.00 3.20 -0.55 0.23 116.97 119.65 2hyb h TYR 1021Ca 0.24 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.17 2hyb h TYR 1021Cb -0.04 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 2hyb h TYR 1021CO -0.02 0.02 0.64 1.96 -1.64 0.00 0.00 178.16 179.13 2hyb h GLN 1022N -0.22 1.14 -0.13 1.82 1.08 -0.81 0.68 115.11 118.67 2hyb h GLN 1022Ca -0.01 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2hyb h GLN 1022Cb 0.18 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 2hyb h GLN 1022CO 0.02 0.75 0.05 0.35 -0.95 0.00 0.00 178.83 179.05 2hyb h PHE 1023N 1.17 0.21 -0.94 2.96 3.57 -0.58 -2.02 116.94 121.32 2hyb h PHE 1023Ca 0.43 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 2hyb h PHE 1023Cb 0.16 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 2hyb h PHE 1023CO -0.00 0.32 0.55 0.00 -2.23 0.00 0.00 178.31 176.94 2hyb h ALA 1024N 0.87 1.20 -0.38 2.41 0.00 0.52 0.34 119.26 124.22 2hyb h ALA 1024Ca 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2hyb h ALA 1024Cb 0.20 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2hyb h ALA 1024CO -0.00 0.67 0.10 -0.22 0.00 0.00 0.00 179.25 179.80 2hyb h LYS 1025N 1.30 0.61 -0.55 0.00 3.64 -0.80 -0.03 116.57 120.74 2hyb h LYS 1025Ca 0.33 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2hyb h LYS 1025Cb -0.03 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2hyb h LYS 1025CO -0.06 0.63 0.18 0.00 -2.27 0.00 0.00 179.45 177.93 2hyb h ALA 1026N 0.95 0.72 0.30 5.00 0.00 -1.06 -0.52 119.26 124.66 2hyb h ALA 1026Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2hyb h ALA 1026Cb 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2hyb h ALA 1026CO -0.00 0.37 -0.14 0.00 0.00 0.00 0.00 179.25 179.48 2hyb h ALA 1027N 1.04 -0.41 -0.54 0.00 0.00 -0.80 -2.44 119.26 116.12 2hyb h ALA 1027Ca 0.18 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2hyb h ALA 1027Cb 0.26 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2hyb h ALA 1027CO -0.01 -0.63 0.15 -0.07 0.00 0.00 0.00 179.25 178.69 2hyb h LEU 1028N -0.60 0.09 -2.24 0.00 3.38 -0.94 -0.54 115.31 114.47 2hyb h LEU 1028Ca -0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2hyb h LEU 1028Cb 0.43 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2hyb h LEU 1028CO 0.07 0.07 -0.05 -0.33 0.09 0.00 0.00 178.44 178.29 2hyb h GLU 1029N 0.31 0.00 -0.00 1.13 5.08 -1.03 -1.17 114.58 118.89 2hyb h GLU 1029Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2hyb h GLU 1029Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2hyb h GLU 1029CO -0.32 0.05 -0.06 1.63 -1.00 0.00 0.00 179.01 179.31 2hyb n LYS 1030N -3.50 0.90 -0.04 2.33 5.02 -0.24 -4.89 118.16 117.74 2hyb n LYS 1030Ca -0.02 -0.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 2hyb n LYS 1030Cb 0.17 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2hyb n LYS 1030CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hyb n GLY 1031N 1.20 0.46 3.83 0.72 0.00 -0.44 -5.07 105.19 105.88 2hyb n GLY 1031Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2hyb n GLY 1031CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hyb s HIS 1032N -2.08 3.12 -0.08 1.61 3.76 -1.00 -4.83 115.29 115.78 2hyb s HIS 1032Ca 0.00 1.27 -0.01 0.00 -0.15 0.00 0.00 55.06 56.17 2hyb s HIS 1032Cb 0.00 -2.96 -0.03 0.00 1.11 0.00 0.00 32.58 30.70 2hyb s HIS 1032CO 0.00 -1.32 -0.03 -2.00 -0.85 0.00 0.00 174.74 170.54 2hyb s GLU 1033N -5.14 2.93 -0.46 1.40 2.12 -0.83 -4.31 118.70 114.41 2hyb s GLU 1033Ca 0.58 -0.48 -0.09 0.00 0.36 0.00 0.00 54.97 55.35 2hyb s GLU 1033Cb -0.13 -2.71 0.12 0.00 0.26 0.00 0.00 34.13 31.66 2hyb s GLU 1033CO 0.54 0.65 0.33 0.42 -0.54 0.00 0.00 175.26 176.66 2hyb s ILE 1034N -0.75 4.12 0.19 -3.70 1.01 -1.26 -0.51 121.20 120.30 2hyb s ILE 1034Ca 0.11 -1.80 -0.12 0.00 0.00 0.00 0.00 60.65 58.84 2hyb s ILE 1034Cb -0.11 -3.72 0.09 0.00 0.01 0.00 0.00 42.46 38.73 2hyb s ILE 1034CO 0.02 -0.76 1.76 0.15 0.00 0.00 0.00 174.94 176.11 2hyb h PHE 1035N 8.41 0.39 -1.73 3.97 3.57 -1.13 -3.43 116.94 126.99 2hyb h PHE 1035Ca -0.20 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.35 2hyb h PHE 1035Cb 1.07 -0.10 -0.23 0.00 2.79 0.00 0.00 35.95 39.48 2hyb h PHE 1035CO 0.63 0.16 0.38 0.50 -2.23 0.00 0.00 178.31 177.75 2hyb s ARG 1036N -6.12 0.70 -0.27 1.11 3.52 -1.23 -4.51 118.95 112.16 2hyb s ARG 1036Ca -0.13 0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 55.85 2hyb s ARG 1036Cb 0.15 0.34 0.01 0.00 -1.56 0.00 0.00 34.95 33.89 2hyb s ARG 1036CO 0.73 -0.17 0.01 0.08 -0.81 0.00 0.00 175.30 175.15 2hyb s VAL 1037N -0.52 3.48 -0.16 7.11 1.01 -0.42 -2.02 120.40 128.88 2hyb s VAL 1037Ca -0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2hyb s VAL 1037Cb -0.02 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2hyb s VAL 1037CO 0.01 0.16 -0.09 0.12 0.00 0.00 0.00 175.10 175.30 2hyb s PHE 1038N 1.43 2.89 -0.19 5.22 2.19 -0.09 -0.15 117.98 129.28 2hyb s PHE 1038Ca 0.02 -0.66 -0.08 0.00 0.33 0.00 0.00 56.93 56.54 2hyb s PHE 1038Cb -0.17 -1.93 -0.04 0.00 -1.31 0.00 0.00 43.02 39.57 2hyb s PHE 1038CO -0.01 -0.27 0.08 -0.06 1.83 0.00 0.00 175.22 176.79 2hyb s PHE 1039N 0.65 3.27 0.16 10.12 0.40 0.46 -1.31 117.98 131.73 2hyb s PHE 1039Ca -0.05 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 2hyb s PHE 1039Cb -0.15 -2.11 -0.05 0.00 0.51 0.00 0.00 43.02 41.23 2hyb s PHE 1039CO 0.02 0.14 -0.04 -0.47 0.70 0.00 0.00 175.22 175.58 2hyb s TYR 1040N 0.46 1.22 0.00 0.36 5.04 -0.26 -2.33 117.35 121.85 2hyb s TYR 1040Ca 0.04 -0.91 0.00 0.00 -2.44 0.00 0.00 57.07 53.76 2hyb s TYR 1040Cb -0.12 -0.68 0.00 0.00 0.35 0.00 0.00 41.96 41.51 2hyb s TYR 1040CO 0.00 -0.08 0.00 0.72 -1.34 0.00 0.00 175.55 174.85 2hyb n HIS 1041N -0.22 0.00 0.36 4.97 8.25 -1.26 -0.39 115.22 126.93 2hyb n HIS 1041Ca -0.08 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.44 2hyb n HIS 1041Cb 0.62 0.05 0.30 0.00 1.12 0.00 0.00 29.99 32.08 2hyb n HIS 1041CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2hyb n ASP 1042N 1.21 0.16 -0.35 0.41 9.92 -1.18 -2.66 116.55 124.05 2hyb n ASP 1042Ca 0.00 0.55 0.10 0.00 -0.53 0.00 0.00 54.79 54.90 2hyb n ASP 1042Cb 0.00 -0.58 0.27 0.00 -0.64 0.00 0.00 41.12 40.17 2hyb n ASP 1042CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2hyb h GLY 1043N 1.78 1.68 0.66 0.44 0.00 -0.57 0.23 103.07 107.29 2hyb h GLY 1043Ca 0.00 -0.38 0.09 0.00 0.00 0.00 0.00 47.33 47.04 2hyb h GLY 1043CO 0.00 0.05 0.58 -0.39 0.00 0.00 0.00 176.54 176.78 2hyb h VAL 1044N 0.86 0.15 0.00 4.60 -1.51 -1.62 0.14 116.25 118.87 2hyb h VAL 1044Ca 0.53 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.00 2hyb h VAL 1044Cb 0.68 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 2hyb h VAL 1044CO -0.32 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.61 2hyb n ASN 1045N -3.23 0.00 -1.13 4.19 5.03 0.05 -1.95 115.26 118.22 2hyb n ASN 1045Ca 0.06 -0.82 0.08 0.00 0.87 0.00 0.00 54.58 54.77 2hyb n ASN 1045Cb 0.72 0.00 0.26 0.00 -1.02 0.00 0.00 39.78 39.73 2hyb n ASN 1045CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2hyb n ASN 1046N -0.69 3.29 -0.15 6.41 3.02 0.04 -4.10 115.26 123.08 2hyb n ASN 1046Ca 0.05 -2.14 0.02 0.00 -0.03 0.00 0.00 54.58 52.48 2hyb n ASN 1046Cb 0.02 -0.43 0.03 0.00 -0.61 0.00 0.00 39.78 38.79 2hyb n ASN 1046CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2hyb n SER 1047N 1.01 1.73 -4.82 6.41 3.41 -0.82 -4.75 113.62 115.78 2hyb n SER 1047Ca 0.19 -1.54 -0.33 0.00 -0.26 0.00 0.00 58.87 56.93 2hyb n SER 1047Cb 0.57 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 2hyb n SER 1047CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2hyb s THR 1048N -0.61 4.44 -1.79 6.66 -1.32 -1.26 0.30 115.64 122.06 2hyb s THR 1048Ca 0.05 1.40 0.19 0.00 -1.21 0.00 0.00 61.69 62.12 2hyb s THR 1048Cb 0.03 -3.64 0.48 0.00 -1.51 0.00 0.00 72.50 67.86 2hyb s THR 1048CO 0.04 -0.25 1.40 -2.11 -2.21 0.00 0.00 174.62 171.49 2hyb n ARG 1049N -0.46 2.60 -0.44 7.08 1.85 0.13 -4.47 116.66 122.94 2hyb n ARG 1049Ca 0.06 -2.34 0.08 0.00 -1.00 0.00 0.00 57.85 54.65 2hyb n ARG 1049Cb 0.53 -1.46 0.28 0.00 -1.05 0.00 0.00 32.46 30.77 2hyb n ARG 1049CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2hyb n LEU 1050N 1.27 3.73 -4.85 2.89 4.77 -1.26 -4.96 117.00 118.60 2hyb n LEU 1050Ca 0.19 -1.87 -0.33 0.00 -0.03 0.00 0.00 56.01 53.96 2hyb n LEU 1050Cb 0.55 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2hyb n LEU 1050CO 0.14 0.72 0.36 0.42 -1.33 0.00 0.00 177.39 177.70 2hyb s THR 1051N -1.59 4.73 -0.43 -5.08 -4.23 -1.26 -5.02 115.64 102.77 2hyb s THR 1051Ca 0.41 0.90 0.07 0.00 -1.18 0.00 0.00 61.69 61.90 2hyb s THR 1051Cb 0.25 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.66 2hyb s THR 1051CO 0.23 -0.05 0.54 0.41 -0.54 0.00 0.00 174.62 175.21 2hyb n THR 1052N -0.00 -0.33 -1.55 3.99 -1.04 -1.26 -5.11 114.28 108.97 2hyb n THR 1052Ca 0.01 -4.13 -0.34 0.00 -2.04 0.00 0.00 64.05 57.55 2hyb n THR 1052Cb 0.52 -1.96 0.08 0.00 -1.82 0.00 0.00 70.33 67.15 2hyb n THR 1052CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2hyb s PRO 1053N -1.27 2.37 0.17 -2.82 0.02 -1.26 -4.93 135.00 127.28 2hyb s PRO 1053Ca 0.35 1.65 -0.33 0.00 0.02 0.00 0.00 61.00 62.69 2hyb s PRO 1053Cb 0.16 -1.87 -0.15 0.00 0.02 0.00 0.00 34.50 32.66 2hyb s PRO 1053CO -0.10 -1.64 1.37 -2.30 -0.33 0.00 0.00 177.00 174.00 2hyb n PRO 1054N -2.58 1.65 0.26 5.54 -0.02 -1.26 -4.85 135.00 133.74 2hyb n PRO 1054Ca 0.13 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 2hyb n PRO 1054Cb 0.51 -2.23 0.68 0.00 -0.02 0.00 0.00 33.50 32.44 2hyb n PRO 1054CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2hyb h GLN 1055N 4.46 0.00 -0.11 -0.52 4.20 -1.96 -2.54 115.11 118.63 2hyb h GLN 1055Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2hyb h GLN 1055Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 2hyb h GLN 1055CO 0.78 0.13 0.00 -0.40 -0.67 0.00 0.00 178.83 178.67 2hyb n ASP 1056N -3.53 0.82 -4.39 1.46 3.85 -1.26 -4.84 116.55 108.66 2hyb n ASP 1056Ca -0.01 -1.71 -0.19 0.00 -0.71 0.00 0.00 54.79 52.16 2hyb n ASP 1056Cb 0.28 -0.07 -0.10 0.00 -1.35 0.00 0.00 41.12 39.87 2hyb n ASP 1056CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2hyb s ASP 1057N -1.37 1.95 0.65 -1.12 3.68 -0.96 -5.14 116.67 114.36 2hyb s ASP 1057Ca 0.23 -1.34 -0.17 0.00 2.13 0.00 0.00 52.55 53.41 2hyb s ASP 1057Cb 0.12 -0.00 -0.00 0.00 -1.45 0.00 0.00 42.92 41.58 2hyb s ASP 1057CO 0.18 -0.61 1.19 0.00 0.13 0.00 0.00 175.17 176.06 2hyb s ARG 1058N -3.92 2.65 -0.73 4.34 3.03 -1.26 -4.81 118.95 118.25 2hyb s ARG 1058Ca 0.35 1.73 -0.05 0.00 2.03 0.00 0.00 55.73 59.79 2hyb s ARG 1058Cb 0.08 -1.90 0.19 0.00 -1.03 0.00 0.00 34.95 32.28 2hyb s ARG 1058CO 0.13 -1.43 0.58 -1.58 -1.13 0.00 0.00 175.30 171.87 2hyb s HIS 1059N -1.85 3.58 0.23 5.89 2.46 -1.26 -4.86 115.29 119.46 2hyb s HIS 1059Ca 0.75 -2.62 -0.11 0.00 0.47 0.00 0.00 55.06 53.54 2hyb s HIS 1059Cb -0.28 -3.35 0.31 0.00 -0.13 0.00 0.00 32.58 29.13 2hyb s HIS 1059CO 0.39 -0.86 1.62 0.82 -2.47 0.00 0.00 174.74 174.24 2hyb h ILE 1060N 4.92 0.31 0.37 0.89 2.04 -1.99 0.90 117.51 124.95 2hyb h ILE 1060Ca 0.05 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2hyb h ILE 1060Cb 0.95 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2hyb h ILE 1060CO 0.75 0.00 -0.18 0.58 0.00 0.00 0.00 178.15 179.31 2hyb h VAL 1061N 0.02 0.64 -0.31 1.67 2.07 -1.92 -1.91 116.25 116.52 2hyb h VAL 1061Ca 0.35 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.80 2hyb h VAL 1061Cb 0.56 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2hyb h VAL 1061CO -0.71 0.01 0.07 0.78 0.02 0.00 0.00 177.57 177.75 2hyb h ASN 1062N -0.52 0.41 0.15 0.57 2.35 -1.84 -1.03 115.58 115.67 2hyb h ASN 1062Ca -0.05 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2hyb h ASN 1062Cb 0.40 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 2hyb h ASN 1062CO 0.08 0.42 -0.09 0.03 -1.65 0.00 0.00 177.43 176.22 2hyb h ARG 1063N 0.45 -0.23 -0.75 0.81 3.08 -0.57 0.20 114.38 117.37 2hyb h ARG 1063Ca 0.11 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.19 2hyb h ARG 1063Cb 0.18 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2hyb h ARG 1063CO -0.00 -0.15 0.50 -1.49 -1.07 0.00 0.00 179.97 177.75 2hyb h TRP 1064N -0.23 0.93 -0.50 3.04 -0.00 -0.93 -1.09 115.95 117.16 2hyb h TRP 1064Ca -0.01 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.86 2hyb h TRP 1064Cb 0.20 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.02 2hyb h TRP 1064CO -0.09 0.57 0.15 0.00 -0.00 0.00 0.00 178.44 179.08 2hyb h ALA 1065N 1.54 0.66 -0.31 1.49 0.00 -0.65 -0.26 119.26 121.74 2hyb h ALA 1065Ca 0.28 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2hyb h ALA 1065Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2hyb h ALA 1065CO -0.07 0.32 -0.12 0.93 0.00 0.00 0.00 179.25 180.31 2hyb h GLU 1066N 0.69 0.62 -0.64 0.00 5.08 -0.45 0.97 114.58 120.85 2hyb h GLU 1066Ca 0.16 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2hyb h GLU 1066Cb 0.28 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2hyb h GLU 1066CO -0.00 0.84 0.25 1.25 -1.00 0.00 0.00 179.01 180.34 2hyb h LEU 1067N 0.38 0.90 -0.40 1.33 5.85 -1.15 0.42 115.31 122.65 2hyb h LEU 1067Ca 0.07 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2hyb h LEU 1067Cb 0.64 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2hyb h LEU 1067CO 0.04 0.84 0.26 0.00 -0.34 0.00 0.00 178.44 179.24 2hyb h ALA 1068N 1.10 0.50 0.06 1.25 0.00 -0.84 -1.46 119.26 119.87 2hyb h ALA 1068Ca 0.21 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2hyb h ALA 1068Cb 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2hyb h ALA 1068CO -0.02 -0.05 -0.17 1.49 0.00 0.00 0.00 179.25 180.51 2hyb h GLU 1069N 0.53 -0.30 0.23 0.00 4.57 -0.22 0.71 114.58 120.10 2hyb h GLU 1069Ca 0.15 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2hyb h GLU 1069Cb -0.05 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 2hyb h GLU 1069CO -0.04 -0.20 -0.28 0.37 -1.18 0.00 0.00 179.01 177.68 2hyb h GLN 1070N -0.31 -0.54 -0.68 1.92 4.15 -0.69 -3.16 115.11 115.80 2hyb h GLN 1070Ca 0.04 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2hyb h GLN 1070Cb 0.35 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2hyb h GLN 1070CO -0.12 -0.36 0.00 0.66 -1.93 0.00 0.00 178.83 177.08 2hyb n TYR 1071N -5.40 1.33 -3.80 3.99 4.02 -0.57 -4.97 117.16 111.76 2hyb n TYR 1071Ca -0.08 -0.56 -0.27 0.00 -0.01 0.00 0.00 57.90 56.98 2hyb n TYR 1071Cb 0.31 -0.17 0.01 0.00 -0.02 0.00 0.00 39.34 39.47 2hyb n TYR 1071CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2hyb n GLU 1072N 1.30 -2.78 -2.92 -0.72 1.02 0.24 -4.93 120.64 111.85 2hyb n GLU 1072Ca 0.25 0.47 -0.37 0.00 -0.02 0.00 0.00 57.16 57.49 2hyb n GLU 1072Cb 0.80 -4.49 -0.06 0.00 -0.02 0.00 0.00 31.44 27.67 2hyb n GLU 1072CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2hyb s LEU 1073N -6.72 4.37 -0.49 -4.62 1.43 -0.81 -5.02 118.68 106.83 2hyb s LEU 1073Ca 0.19 1.67 -0.20 0.00 -1.03 0.00 0.00 54.13 54.75 2hyb s LEU 1073Cb -0.07 -3.78 0.05 0.00 0.03 0.00 0.00 46.19 42.42 2hyb s LEU 1073CO 0.86 0.00 0.65 -0.62 0.23 0.00 0.00 176.35 177.47 2hyb s ASP 1074N -1.58 6.26 -0.33 2.29 2.15 -1.26 -4.90 116.67 119.30 2hyb s ASP 1074Ca 0.46 -0.70 -0.07 0.00 0.43 0.00 0.00 52.55 52.67 2hyb s ASP 1074Cb -0.18 -2.31 0.03 0.00 -0.30 0.00 0.00 42.92 40.15 2hyb s ASP 1074CO 0.23 -0.88 0.11 -0.04 -0.17 0.00 0.00 175.17 174.42 2hyb s MET 1075N 2.78 2.83 -0.09 4.34 -1.94 -1.26 -1.30 119.30 124.67 2hyb s MET 1075Ca 0.18 -1.04 -0.03 0.00 -1.71 0.00 0.00 55.69 53.09 2hyb s MET 1075Cb -0.17 -3.46 -0.04 0.00 2.01 0.00 0.00 34.83 33.17 2hyb s MET 1075CO 0.14 -0.59 0.04 0.08 -0.01 0.00 0.00 175.02 174.69 2hyb s VAL 1076N 1.46 4.63 -0.18 -6.03 1.01 0.78 -2.02 120.40 120.05 2hyb s VAL 1076Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2hyb s VAL 1076Cb -0.19 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 2hyb s VAL 1076CO 0.03 0.58 -0.10 -0.69 0.00 0.00 0.00 175.10 174.93 2hyb s VAL 1077N -0.95 3.02 0.14 2.92 1.01 -0.04 -0.40 120.40 126.10 2hyb s VAL 1077Ca 0.15 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 2hyb s VAL 1077Cb -0.12 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 2hyb s VAL 1077CO 0.04 0.48 1.75 0.00 0.00 0.00 0.00 175.10 177.37 2hyb h VAL 1079N 4.45 0.74 -0.93 0.00 3.04 -1.43 -0.23 116.25 121.89 2hyb h VAL 1079Ca -0.44 -0.02 0.09 0.00 -1.01 0.00 0.00 66.70 65.31 2hyb h VAL 1079Cb 1.21 0.75 -0.07 0.00 -2.01 0.00 0.00 31.29 31.17 2hyb h VAL 1079CO 0.94 0.01 0.58 0.00 -1.01 0.00 0.00 177.57 178.09 2hyb h ALA 1080N 0.35 1.33 -0.35 3.17 0.00 -1.91 0.20 119.26 122.05 2hyb h ALA 1080Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2hyb h ALA 1080Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2hyb h ALA 1080CO 0.06 0.28 -0.28 0.00 0.00 0.00 0.00 179.25 179.31 2hyb h ALA 1081N 1.47 0.85 -0.37 0.00 0.00 -1.87 -2.50 119.26 116.83 2hyb h ALA 1081Ca 0.43 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2hyb h ALA 1081Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2hyb h ALA 1081CO -0.21 0.64 -0.28 0.00 0.00 0.00 0.00 179.25 179.39 2hyb h ALA 1082N 1.06 0.81 -0.55 0.00 0.00 0.38 -2.48 119.26 118.47 2hyb h ALA 1082Ca 0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2hyb h ALA 1082Cb 0.79 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2hyb h ALA 1082CO 0.07 0.64 0.19 1.96 0.00 0.00 0.00 179.25 182.11 2hyb h GLN 1083N 0.67 0.85 0.00 0.00 4.20 -0.54 0.44 115.11 120.74 2hyb h GLN 1083Ca 0.08 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 2hyb h GLN 1083Cb 0.81 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2hyb h GLN 1083CO 0.07 0.77 -0.45 -0.09 -0.67 0.00 0.00 178.83 178.46 2hyb h ARG 1084N 0.77 0.00 0.00 1.46 2.43 -1.37 -3.31 114.38 114.36 2hyb h ARG 1084Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2hyb h ARG 1084Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2hyb h ARG 1084CO -0.01 0.45 -1.47 0.54 -1.51 0.00 0.00 179.97 177.97 2hyb n ARG 1085N -4.01 0.85 0.00 0.20 1.74 -0.94 -5.04 116.66 109.46 2hyb n ARG 1085Ca -0.02 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 2hyb n ARG 1085Cb 0.47 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 2hyb n ARG 1085CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hyb n GLY 1086N 1.53 1.59 3.56 -0.13 0.00 0.13 -5.07 105.19 106.79 2hyb n GLY 1086Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2hyb n GLY 1086CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hyb s ILE 1087N -2.00 4.95 -0.06 -0.61 -1.09 0.21 -4.90 121.20 117.71 2hyb s ILE 1087Ca 0.00 0.41 0.05 0.00 -2.23 0.00 0.00 60.65 58.88 2hyb s ILE 1087Cb 0.00 -4.03 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 2hyb s ILE 1087CO 0.00 -0.29 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.52 2hyb s VAL 1088N 2.55 1.75 0.41 2.92 1.01 -1.26 -4.48 120.40 123.30 2hyb s VAL 1088Ca 0.21 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2hyb s VAL 1088Cb -0.15 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2hyb s VAL 1088CO 0.14 0.49 0.12 -0.90 0.00 0.00 0.00 175.10 174.95 2hyb n ASP 1089N 3.14 2.84 -0.04 3.32 3.85 -1.26 -1.50 116.55 126.91 2hyb n ASP 1089Ca -0.18 -2.65 -0.04 0.00 -0.71 0.00 0.00 54.79 51.20 2hyb n ASP 1089Cb 0.52 0.17 -0.03 0.00 -1.35 0.00 0.00 41.12 40.43 2hyb n ASP 1089CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 2hyb h GLU 1090N 0.00 -0.11 -0.43 0.11 4.57 -1.98 0.13 114.58 116.88 2hyb h GLU 1090Ca -0.31 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 57.92 2hyb h GLU 1090Cb 1.00 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.54 2hyb h GLU 1090CO 0.51 -0.07 -0.45 0.78 -1.18 0.00 0.00 179.01 178.59 2hyb h GLY 1091N -0.11 -1.21 0.23 1.92 0.00 -1.99 -1.37 103.07 100.53 2hyb h GLY 1091Ca 0.02 0.77 0.09 0.00 0.00 0.00 0.00 47.33 48.21 2hyb h GLY 1091CO -0.18 -0.23 -0.01 0.83 0.00 0.00 0.00 176.54 176.96 2hyb h GLU 1092N -0.25 0.10 -0.89 4.80 4.39 -1.90 -0.13 114.58 120.70 2hyb h GLU 1092Ca 0.07 -0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.92 2hyb h GLU 1092Cb 0.44 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.97 2hyb h GLU 1092CO -0.54 0.06 0.48 0.00 -1.16 0.00 0.00 179.01 177.86 2hyb h ALA 1093N 1.41 1.36 0.09 3.43 0.00 0.16 0.37 119.26 126.08 2hyb h ALA 1093Ca 0.23 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2hyb h ALA 1093Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2hyb h ALA 1093CO -0.39 -0.07 -0.04 1.03 0.00 0.00 0.00 179.25 179.78 2hyb h SER 1094N 0.67 -0.10 -0.63 0.00 0.87 -0.23 0.14 113.55 114.27 2hyb h SER 1094Ca 0.49 -0.44 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 2hyb h SER 1094Cb 0.69 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2hyb h SER 1094CO -0.36 0.43 0.05 0.03 -0.53 0.00 0.00 176.83 176.44 2hyb h ARG 1095N -0.66 1.08 -0.01 2.24 3.08 -0.71 -3.02 114.38 116.38 2hyb h ARG 1095Ca -0.01 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2hyb h ARG 1095Cb 0.53 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2hyb h ARG 1095CO 0.02 1.03 -0.31 0.09 -1.07 0.00 0.00 179.97 179.73 2hyb n ASN 1096N -4.19 1.35 -3.11 7.04 5.03 0.13 -4.99 115.26 116.51 2hyb n ASN 1096Ca 0.04 -1.10 -0.15 0.00 0.87 0.00 0.00 54.58 54.24 2hyb n ASN 1096Cb 0.32 0.23 0.08 0.00 -1.02 0.00 0.00 39.78 39.38 2hyb n ASN 1096CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2hyb n GLY 1097N 1.36 -0.40 3.94 7.41 0.00 -0.13 -5.02 105.19 112.35 2hyb n GLY 1097Ca 0.12 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 2hyb n GLY 1097CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hyb s LYS 1098N -4.98 3.50 -0.06 1.61 -0.14 0.32 -5.00 119.74 114.98 2hyb s LYS 1098Ca 0.09 -0.39 0.15 0.00 -1.36 0.00 0.00 55.97 54.47 2hyb s LYS 1098Cb -0.01 -2.74 0.55 0.00 -1.68 0.00 0.00 37.83 33.95 2hyb s LYS 1098CO 0.64 0.26 1.44 -0.40 -0.76 0.00 0.00 175.35 176.54 2hyb n ASP 1099N -1.38 3.62 -3.64 2.83 5.68 -1.26 -4.78 116.55 117.61 2hyb n ASP 1099Ca -0.05 -2.24 -0.03 0.00 -0.50 0.00 0.00 54.79 51.97 2hyb n ASP 1099Cb 0.56 -0.47 -0.01 0.00 -1.14 0.00 0.00 41.12 40.05 2hyb n ASP 1099CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hyb s ALA 1100N -1.61 -1.95 0.28 2.12 0.00 -1.26 -5.17 121.76 114.17 2hyb s ALA 1100Ca 0.40 0.69 0.06 0.00 0.00 0.00 0.00 51.96 53.10 2hyb s ALA 1100Cb 0.24 0.39 -0.06 0.00 0.00 0.00 0.00 23.12 23.70 2hyb s ALA 1100CO 0.22 -0.92 -0.03 0.95 0.00 0.00 0.00 175.76 175.98 2hyb s THR 1101N -2.83 1.48 0.00 0.00 -4.23 -1.26 -4.82 115.64 103.98 2hyb s THR 1101Ca 0.11 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2hyb s THR 1101Cb 0.01 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2hyb s THR 1101CO -0.03 -0.26 0.00 -0.46 -0.54 0.00 0.00 174.62 173.34 2hyb n ASN 1102N -0.58 0.00 -4.77 3.99 6.94 -0.56 -5.00 115.26 115.29 2hyb n ASN 1102Ca -0.05 -0.75 -0.37 0.00 -0.02 0.00 0.00 54.58 53.40 2hyb n ASN 1102Cb 0.64 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 2hyb n ASN 1102CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2hyb s ILE 1103N 0.00 2.92 -0.05 1.53 2.07 -0.74 0.20 121.20 127.12 2hyb s ILE 1103Ca 0.00 0.66 -0.25 0.00 -1.41 0.00 0.00 60.65 59.65 2hyb s ILE 1103Cb 0.00 -3.32 -0.03 0.00 0.13 0.00 0.00 42.46 39.23 2hyb s ILE 1103CO 0.00 -0.04 0.77 -2.28 -1.91 0.00 0.00 174.94 171.48 2hyb s HIS 1104N -1.54 3.60 0.66 3.50 5.65 0.15 -4.51 115.29 122.79 2hyb s HIS 1104Ca 0.67 1.36 0.23 0.00 0.25 0.00 0.00 55.06 57.57 2hyb s HIS 1104Cb -0.30 -2.88 1.24 0.00 -1.18 0.00 0.00 32.58 29.46 2hyb s HIS 1104CO 0.35 0.06 1.70 -1.00 -0.65 0.00 0.00 174.74 175.20 2hyb h PRO 1105N 6.77 0.00 0.00 2.88 0.13 -1.93 -0.39 132.00 139.46 2hyb h PRO 1105Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2hyb h PRO 1105Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2hyb h PRO 1105CO 0.75 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.15 2hyb n LYS 1106N -2.90 0.12 -4.33 0.86 4.76 -1.26 -4.77 118.16 110.64 2hyb n LYS 1106Ca 0.00 0.04 -0.31 0.00 -2.87 0.00 0.00 58.31 55.18 2hyb n LYS 1106Cb 0.58 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.17 2hyb n LYS 1106CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2hyb s PHE 1107N -2.87 2.79 0.04 2.13 0.40 -0.16 -4.56 117.98 115.75 2hyb s PHE 1107Ca 0.17 -0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.45 2hyb s PHE 1107Cb 0.18 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.18 2hyb s PHE 1107CO 0.47 0.40 -0.21 -0.98 0.70 0.00 0.00 175.22 175.60 2hyb s ARG 1108N -1.91 1.40 0.10 0.44 1.70 -0.86 -4.80 118.95 115.02 2hyb s ARG 1108Ca 0.20 -0.92 -0.18 0.00 -0.47 0.00 0.00 55.73 54.35 2hyb s ARG 1108Cb -0.11 -1.50 -0.07 0.00 -0.57 0.00 0.00 34.95 32.70 2hyb s ARG 1108CO 0.12 0.39 0.58 0.42 -1.08 0.00 0.00 175.30 175.72 2hyb s ILE 1109N -0.78 4.75 0.36 4.99 1.01 -1.26 -0.86 121.20 129.42 2hyb s ILE 1109Ca 0.07 1.14 -0.15 0.00 0.00 0.00 0.00 60.65 61.71 2hyb s ILE 1109Cb -0.09 -3.86 0.06 0.00 0.01 0.00 0.00 42.46 38.58 2hyb s ILE 1109CO 0.02 0.46 0.77 -0.24 0.00 0.00 0.00 174.94 175.95 2hyb n SER 1110N 1.45 -2.16 -4.89 3.58 2.88 -0.84 -4.90 113.62 108.74 2hyb n SER 1110Ca -0.09 -2.47 -0.30 0.00 -1.33 0.00 0.00 58.87 54.69 2hyb n SER 1110Cb 0.51 3.59 0.03 0.00 -0.75 0.00 0.00 64.21 67.59 2hyb n SER 1110CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2hyb s GLY 1111N -3.00 1.62 0.09 0.46 0.00 -1.26 -1.06 107.32 104.18 2hyb s GLY 1111Ca 0.16 -0.34 0.14 0.00 0.00 0.00 0.00 44.72 44.67 2hyb s GLY 1111CO 0.11 -0.03 1.43 -0.10 0.00 0.00 0.00 173.10 174.50 2hyb n LEU 1112N -2.80 0.21 0.00 0.66 7.94 -1.26 -1.35 117.00 120.40 2hyb n LEU 1112Ca 0.06 0.57 0.10 0.00 -1.11 0.00 0.00 56.01 55.63 2hyb n LEU 1112Cb 0.56 -0.56 0.45 0.00 0.53 0.00 0.00 43.42 44.40 2hyb n LEU 1112CO 0.57 -0.46 0.83 0.61 -1.11 0.00 0.00 177.39 177.83 2hyb n GLY 1113N -0.52 -1.22 0.14 -3.96 0.00 -1.26 -2.09 105.19 96.27 2hyb n GLY 1113Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.98 2hyb n GLY 1113CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2hyb h GLN 1114N 0.00 0.00 -0.00 1.61 1.08 -1.60 -0.49 115.11 115.71 2hyb h GLN 1114Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2hyb h GLN 1114Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2hyb h GLN 1114CO 0.00 0.57 -0.10 1.25 -0.95 0.00 0.00 178.83 179.60 2hyb h LEU 1115N 0.00 0.09 -0.99 1.46 5.85 -1.61 -2.15 115.31 117.96 2hyb h LEU 1115Ca -0.01 -0.78 -0.03 0.00 0.84 0.00 0.00 57.88 57.90 2hyb h LEU 1115Cb 1.35 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 2hyb h LEU 1115CO 0.07 0.86 0.31 0.58 -0.34 0.00 0.00 178.44 179.92 2hyb h VAL 1116N -0.67 1.23 -0.24 1.05 2.07 -1.59 -1.47 116.25 116.63 2hyb h VAL 1116Ca -0.01 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.86 2hyb h VAL 1116Cb 0.87 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2hyb h VAL 1116CO 0.02 0.29 -0.08 -0.08 0.02 0.00 0.00 177.57 177.73 2hyb h GLU 1117N 1.02 -0.04 -0.01 1.57 4.22 -1.10 -2.51 114.58 117.74 2hyb h GLU 1117Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.69 2hyb h GLU 1117Cb 0.15 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2hyb h GLU 1117CO -0.03 -0.02 -0.01 0.00 -2.18 0.00 0.00 179.01 176.77 2hyb h ALA 1118N 1.19 -0.00 -1.01 2.92 0.00 -0.67 -2.51 119.26 119.18 2hyb h ALA 1118Ca 0.12 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.28 2hyb h ALA 1118Cb 0.22 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 2hyb h ALA 1118CO -0.27 -0.50 0.65 0.00 0.00 0.00 0.00 179.25 179.13 2hyb h ALA 1119N 1.00 2.20 -0.03 0.00 0.00 -0.99 0.11 119.26 121.54 2hyb h ALA 1119Ca 0.01 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 2hyb h ALA 1119Cb 0.02 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.83 2hyb h ALA 1119CO -0.01 -0.57 -0.79 0.82 0.00 0.00 0.00 179.25 178.70 2hyb h ILE 1120N 0.42 1.34 -0.01 0.00 2.04 -1.11 -3.35 117.51 116.84 2hyb h ILE 1120Ca 0.56 -2.11 -0.24 0.00 1.00 0.00 0.00 64.86 64.08 2hyb h ILE 1120Cb 1.39 2.40 0.01 0.00 -0.74 0.00 0.00 36.82 39.88 2hyb h ILE 1120CO -0.27 0.64 -0.95 1.56 0.00 0.00 0.00 178.15 179.13 2hyb h GLN 1121N 0.19 0.51 -7.26 2.37 1.08 -0.83 -3.46 115.11 107.71 2hyb h GLN 1121Ca -0.09 -0.53 -0.49 0.00 -1.45 0.00 0.00 58.65 56.09 2hyb h GLN 1121Cb 1.46 0.15 0.04 0.00 -0.05 0.00 0.00 27.48 29.08 2hyb h GLN 1121CO 0.16 1.17 0.39 0.00 -0.95 0.00 0.00 178.83 179.60 2hyb s ALA 1122N -3.32 3.03 0.08 3.87 0.00 0.27 -4.95 121.76 120.75 2hyb s ALA 1122Ca -0.07 0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 2hyb s ALA 1122Cb 0.08 -3.12 -0.24 0.00 0.00 0.00 0.00 23.12 19.85 2hyb s ALA 1122CO 0.88 -0.50 1.16 -0.44 0.00 0.00 0.00 175.76 176.86 2hyb h ASP 1123N 0.33 0.65 -3.85 0.00 3.32 -0.49 -3.46 116.42 112.91 2hyb h ASP 1123Ca -0.46 -0.61 -0.47 0.00 0.02 0.00 0.00 57.03 55.51 2hyb h ASP 1123Cb 1.19 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 40.23 2hyb h ASP 1123CO 0.61 1.44 -0.80 -0.13 -1.72 0.00 0.00 179.24 178.63 2hyb s ARG 1124N -2.93 1.24 -0.43 3.56 1.81 -0.97 -5.03 118.95 116.21 2hyb s ARG 1124Ca -0.07 -0.41 -0.04 0.00 -1.72 0.00 0.00 55.73 53.49 2hyb s ARG 1124Cb 0.07 -1.13 0.11 0.00 -0.45 0.00 0.00 34.95 33.56 2hyb s ARG 1124CO 0.90 0.16 0.24 -1.17 -0.68 0.00 0.00 175.30 174.75 2hyb s LEU 1125N 0.13 5.32 -0.25 2.53 2.96 -1.26 -1.22 118.68 126.90 2hyb s LEU 1125Ca -0.03 -2.06 -0.12 0.00 -0.22 0.00 0.00 54.13 51.70 2hyb s LEU 1125Cb -0.09 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 2hyb s LEU 1125CO 0.01 -0.56 0.23 -0.69 -1.32 0.00 0.00 176.35 174.02 2hyb s VAL 1126N 1.10 5.30 -0.14 1.68 1.01 -0.44 -4.99 120.40 123.92 2hyb s VAL 1126Ca 0.08 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 2hyb s VAL 1126Cb -0.23 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2hyb s VAL 1126CO -0.04 0.28 -0.06 -0.69 0.00 0.00 0.00 175.10 174.59 2hyb s VAL 1127N 1.44 3.69 -0.26 2.92 1.01 -1.26 -1.41 120.40 126.52 2hyb s VAL 1127Ca 0.10 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2hyb s VAL 1127Cb -0.15 -2.59 0.05 0.00 0.00 0.00 0.00 36.38 33.69 2hyb s VAL 1127CO 0.08 0.52 -0.07 -0.36 0.00 0.00 0.00 175.10 175.26 2hyb s PHE 1128N 0.19 3.19 0.00 5.22 0.40 -0.46 -4.98 117.98 121.54 2hyb s PHE 1128Ca -0.03 -2.00 0.00 0.00 -0.60 0.00 0.00 56.93 54.30 2hyb s PHE 1128Cb -0.14 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.38 2hyb s PHE 1128CO 0.03 -0.82 0.00 0.41 0.70 0.00 0.00 175.22 175.54 2hyb n GLY 1129N 4.55 4.94 0.24 4.36 0.00 -1.26 -1.97 105.19 116.04 2hyb n GLY 1129Ca -0.15 -1.02 0.15 0.00 0.00 0.00 0.00 46.02 45.00 2hyb n GLY 1129CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66