#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qav s PRO 1013N 0.00 1.63 0.00 -1.09 0.04 -1.26 -4.90 135.00 129.42 1qav s PRO 1013Ca 0.00 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1qav s PRO 1013Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1qav s PRO 1013CO 0.00 -2.20 0.25 0.27 0.04 0.00 0.00 177.00 175.37 1qav n ASN 1014N -3.45 0.00 -4.25 6.66 6.94 -1.25 -2.00 115.26 117.91 1qav n ASN 1014Ca 0.13 -1.06 -0.31 0.00 -0.02 0.00 0.00 54.58 53.32 1qav n ASN 1014Cb 0.51 -0.01 -0.16 0.00 -2.36 0.00 0.00 39.78 37.75 1qav n ASN 1014CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1qav s VAL 1015N 0.00 1.97 0.17 3.53 1.01 -1.26 0.08 120.40 125.89 1qav s VAL 1015Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1qav s VAL 1015Cb 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1qav s VAL 1015CO 0.00 0.55 -0.03 0.27 0.00 0.00 0.00 175.10 175.89 1qav s ILE 1016N -0.20 0.86 -0.16 2.22 -4.36 -0.12 -4.93 121.20 114.51 1qav s ILE 1016Ca -0.02 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.38 1qav s ILE 1016Cb -0.13 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.55 1qav s ILE 1016CO 0.03 -0.56 -0.19 -0.94 0.24 0.00 0.00 174.94 173.52 1qav s SER 1017N -3.18 3.26 -0.07 4.36 1.04 -1.26 -1.05 113.70 116.80 1qav s SER 1017Ca 0.22 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 56.09 1qav s SER 1017Cb 0.05 -1.49 0.01 0.00 0.10 0.00 0.00 66.02 64.69 1qav s SER 1017CO 0.03 0.05 -0.16 -0.69 0.98 0.00 0.00 173.24 173.44 1qav s VAL 1018N 1.03 1.42 -0.23 5.02 1.01 0.36 -4.96 120.40 124.06 1qav s VAL 1018Ca -0.02 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1qav s VAL 1018Cb -0.14 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1qav s VAL 1018CO -0.06 0.42 0.13 -0.60 0.00 0.00 0.00 175.10 174.99 1qav s ARG 1019N 0.47 4.02 0.13 2.72 3.52 -1.26 0.06 118.95 128.61 1qav s ARG 1019Ca -0.14 -0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.22 1qav s ARG 1019Cb -0.16 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1qav s ARG 1019CO 0.05 0.09 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.99 1qav s LEU 1020N 0.95 2.43 -0.24 -0.88 1.43 0.20 -4.96 118.68 117.61 1qav s LEU 1020Ca 0.07 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.23 1qav s LEU 1020Cb -0.13 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 1qav s LEU 1020CO 0.03 -0.18 0.11 0.12 0.23 0.00 0.00 176.35 176.66 1qav s PHE 1021N -2.38 3.18 -0.71 0.29 5.36 -1.26 0.50 117.98 122.95 1qav s PHE 1021Ca 0.11 -0.10 -0.27 0.00 -0.96 0.00 0.00 56.93 55.71 1qav s PHE 1021Cb -0.03 -2.24 0.03 0.00 -0.34 0.00 0.00 43.02 40.44 1qav s PHE 1021CO 0.03 -0.14 1.29 0.21 -1.46 0.00 0.00 175.22 175.14 1qav s LYS 1022N 1.29 3.22 0.43 10.12 2.20 -0.23 -4.73 119.74 132.05 1qav s LYS 1022Ca 0.06 -0.13 -0.25 0.00 -0.36 0.00 0.00 55.97 55.29 1qav s LYS 1022Cb -0.15 -4.16 -0.08 0.00 -1.51 0.00 0.00 37.83 31.94 1qav s LYS 1022CO 0.05 -2.09 1.25 1.03 -0.36 0.00 0.00 175.35 175.23 1qav s ARG 1023N 5.66 3.83 0.33 4.03 0.52 -0.98 -0.43 118.95 131.91 1qav s ARG 1023Ca 0.37 2.02 0.04 0.00 -0.52 0.00 0.00 55.73 57.64 1qav s ARG 1023Cb -0.08 -2.60 0.66 0.00 0.52 0.00 0.00 34.95 33.45 1qav s ARG 1023CO 0.17 -0.56 1.93 1.57 0.02 0.00 0.00 175.30 178.42 1qav h LYS 1024N 2.37 0.84 -4.69 3.54 5.09 -1.93 -2.33 116.57 119.45 1qav h LYS 1024Ca -0.50 -0.05 -0.69 0.00 0.09 0.00 0.00 60.65 59.50 1qav h LYS 1024Cb 1.25 -0.19 -0.31 0.00 0.10 0.00 0.00 32.23 33.08 1qav h LYS 1024CO 0.61 0.55 -0.63 0.08 -2.09 0.00 0.00 179.45 177.97 1qav s VAL 1025N -5.77 3.42 0.00 0.07 1.01 -1.26 -4.52 120.40 113.34 1qav s VAL 1025Ca -0.10 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1qav s VAL 1025Cb 0.20 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1qav s VAL 1025CO 0.79 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1qav n GLY 1026N 4.71 2.43 7.00 4.51 0.00 -1.26 -5.03 105.19 117.56 1qav n GLY 1026Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1qav n GLY 1026CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qav n GLY 1027N -0.88 2.51 0.21 -0.02 0.00 -0.88 -2.71 105.19 103.43 1qav n GLY 1027Ca 0.00 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.69 1qav n GLY 1027CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qav h LEU 1028N 0.00 0.00 0.00 0.99 3.38 -1.86 -2.60 115.31 115.22 1qav h LEU 1028Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qav h LEU 1028Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1qav h LEU 1028CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1qav n GLY 1029N 0.94 0.99 3.40 0.83 0.00 -1.10 -1.48 105.19 108.77 1qav n GLY 1029Ca 0.04 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1qav n GLY 1029CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qav s PHE 1030N -2.00 -0.17 0.25 1.61 -0.12 -1.26 -1.14 117.98 115.15 1qav s PHE 1030Ca 0.00 -0.15 0.12 0.00 -0.05 0.00 0.00 56.93 56.85 1qav s PHE 1030Cb 0.00 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.66 1qav s PHE 1030CO 0.00 -0.80 -0.20 -0.51 -0.05 0.00 0.00 175.22 173.66 1qav s LEU 1031N -2.83 2.58 0.33 -1.99 1.02 -0.33 -4.99 118.68 112.47 1qav s LEU 1031Ca 0.06 -0.96 0.04 0.00 0.02 0.00 0.00 54.13 53.29 1qav s LEU 1031Cb 0.01 -1.16 -0.06 0.00 0.02 0.00 0.00 46.19 45.00 1qav s LEU 1031CO -0.08 0.06 0.06 0.68 0.02 0.00 0.00 176.35 177.09 1qav s VAL 1032N -2.23 1.16 0.24 -1.59 -7.23 -1.26 -1.30 120.40 108.19 1qav s VAL 1032Ca 0.27 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1qav s VAL 1032Cb -0.06 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 1qav s VAL 1032CO 0.14 0.00 0.25 -1.59 -0.31 0.00 0.00 175.10 173.58 1qav s LYS 1033N -3.88 1.41 0.40 4.82 -2.85 -0.48 -4.81 119.74 114.35 1qav s LYS 1033Ca 0.35 -1.63 -0.12 0.00 -1.00 0.00 0.00 55.97 53.58 1qav s LYS 1033Cb 0.08 0.33 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 1qav s LYS 1033CO 0.15 -0.51 0.79 -1.83 0.10 0.00 0.00 175.35 174.05 1qav s GLU 1034N -3.93 3.84 0.44 1.78 1.03 -1.26 -1.85 118.70 118.75 1qav s GLU 1034Ca 0.35 0.57 0.08 0.00 0.03 0.00 0.00 54.97 56.00 1qav s GLU 1034Cb 0.04 -2.37 0.00 0.00 -0.80 0.00 0.00 34.13 31.01 1qav s GLU 1034CO 0.14 -0.03 0.47 1.03 -1.33 0.00 0.00 175.26 175.54 1qav s ARG 1035N -3.72 2.56 0.41 -4.83 0.52 -0.62 -4.86 118.95 108.42 1qav s ARG 1035Ca 0.53 -1.51 0.22 0.00 -0.52 0.00 0.00 55.73 54.45 1qav s ARG 1035Cb -0.10 -2.48 0.49 0.00 0.52 0.00 0.00 34.95 33.38 1qav s ARG 1035CO 0.29 -0.31 1.65 -0.39 0.02 0.00 0.00 175.30 176.55 1qav h VAL 1036N 0.82 0.34 -3.63 3.52 -1.51 -1.90 -3.47 116.25 110.43 1qav h VAL 1036Ca -0.39 -1.31 -0.06 0.00 -1.23 0.00 0.00 66.70 63.70 1qav h VAL 1036Cb 1.28 2.02 -0.11 0.00 -2.13 0.00 0.00 31.29 32.35 1qav h VAL 1036CO 0.52 0.18 -0.15 -0.94 -1.23 0.00 0.00 177.57 175.95 1qav s SER 1037N -6.21 -0.09 0.54 4.19 1.04 -1.26 -5.13 113.70 106.77 1qav s SER 1037Ca 0.04 -0.75 -0.22 0.00 0.48 0.00 0.00 55.95 55.50 1qav s SER 1037Cb 0.07 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1qav s SER 1037CO 0.67 -1.00 1.38 0.29 0.98 0.00 0.00 173.24 175.55 1qav n LYS 1038N -0.30 1.74 -1.89 4.02 5.02 -1.26 -4.07 118.16 121.43 1qav n LYS 1038Ca -0.07 0.64 -0.41 0.00 -2.02 0.00 0.00 58.31 56.45 1qav n LYS 1038Cb 0.63 -2.60 -0.01 0.00 -0.02 0.00 0.00 35.03 33.03 1qav n LYS 1038CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1qav s PRO 1039N -2.88 4.18 0.41 1.97 0.02 -1.26 -5.10 135.00 132.34 1qav s PRO 1039Ca 0.71 2.47 0.15 0.00 0.02 0.00 0.00 61.00 64.35 1qav s PRO 1039Cb -0.42 -3.01 0.89 0.00 0.02 0.00 0.00 34.50 31.98 1qav s PRO 1039CO 0.49 -0.47 1.91 -1.00 -0.33 0.00 0.00 177.00 177.61 1qav h PRO 1040N 3.61 0.00 -6.26 5.54 0.13 -1.78 -3.43 132.00 129.81 1qav h PRO 1040Ca -0.49 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.96 1qav h PRO 1040Cb 1.23 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.17 1qav h PRO 1040CO 0.68 0.28 -0.71 0.08 -0.23 0.00 0.00 178.00 178.10 1qav s VAL 1041N -4.36 3.56 0.00 1.56 1.01 -1.26 -1.59 120.40 119.32 1qav s VAL 1041Ca -0.03 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1qav s VAL 1041Cb 0.15 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 1qav s VAL 1041CO 0.70 0.48 -0.02 -0.51 0.00 0.00 0.00 175.10 175.75 1qav s ILE 1042N -0.90 0.17 0.09 2.22 2.07 -0.77 -2.81 121.20 121.26 1qav s ILE 1042Ca 0.15 -0.17 -0.31 0.00 -1.41 0.00 0.00 60.65 58.92 1qav s ILE 1042Cb -0.11 -0.16 -0.06 0.00 0.13 0.00 0.00 42.46 42.25 1qav s ILE 1042CO 0.05 -0.00 1.21 -0.63 -1.91 0.00 0.00 174.94 173.66 1qav s ILE 1043N -0.17 3.90 0.00 2.00 1.01 0.35 -1.38 121.20 126.90 1qav s ILE 1043Ca -0.01 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.04 1qav s ILE 1043Cb -0.02 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1qav s ILE 1043CO -0.00 0.13 0.00 -1.54 0.00 0.00 0.00 174.94 173.53 1qav n SER 1044N 3.70 2.37 -3.67 3.58 3.41 -0.42 -0.29 113.62 122.30 1qav n SER 1044Ca 0.08 -0.20 -0.08 0.00 -0.26 0.00 0.00 58.87 58.41 1qav n SER 1044Cb 0.46 0.88 -0.09 0.00 -0.26 0.00 0.00 64.21 65.20 1qav n SER 1044CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qav s ASP 1045N -1.35 -0.72 -0.17 4.04 2.15 -1.14 -4.88 116.67 114.60 1qav s ASP 1045Ca 0.00 1.21 -0.07 0.00 0.43 0.00 0.00 52.55 54.12 1qav s ASP 1045Cb 0.00 1.18 -0.04 0.00 -0.30 0.00 0.00 42.92 43.76 1qav s ASP 1045CO 0.00 -0.22 0.07 -0.76 -0.17 0.00 0.00 175.17 174.09 1qav s LEU 1046N 1.70 3.91 -0.25 -1.34 1.43 -1.26 -1.18 118.68 121.68 1qav s LEU 1046Ca -0.09 0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 52.92 1qav s LEU 1046Cb -0.07 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 1qav s LEU 1046CO -0.16 0.23 0.83 -0.63 0.23 0.00 0.00 176.35 176.85 1qav s ILE 1047N 0.05 4.82 0.09 -0.59 1.01 -0.29 -4.99 121.20 121.30 1qav s ILE 1047Ca 0.06 1.53 -0.35 0.00 0.00 0.00 0.00 60.65 61.89 1qav s ILE 1047Cb -0.12 -4.13 -0.14 0.00 0.01 0.00 0.00 42.46 38.07 1qav s ILE 1047CO 0.01 -0.11 1.56 -1.14 0.00 0.00 0.00 174.94 175.25 1qav n ARG 1048N 6.06 1.83 -0.24 2.79 0.63 -1.26 -0.86 116.66 125.62 1qav n ARG 1048Ca 0.06 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 1qav n ARG 1048Cb 0.48 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 30.98 1qav n ARG 1048CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qav n GLY 1049N 3.33 1.65 3.91 5.14 0.00 -1.26 -5.04 105.19 112.93 1qav n GLY 1049Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1qav n GLY 1049CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qav s GLY 1050N -1.89 1.63 0.16 -0.02 0.00 -0.04 -4.81 107.32 102.35 1qav s GLY 1050Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 44.72 43.77 1qav s GLY 1050CO 0.00 -0.26 1.70 0.00 0.00 0.00 0.00 173.10 174.53 1qav h ALA 1051N -1.06 0.31 -0.22 3.20 0.00 -1.83 -0.73 119.26 118.93 1qav h ALA 1051Ca -0.45 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1qav h ALA 1051Cb 1.31 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1qav h ALA 1051CO 0.61 -0.41 0.14 0.00 0.00 0.00 0.00 179.25 179.59 1qav h ALA 1052N 1.32 0.28 -0.24 0.00 0.00 -1.49 -1.78 119.26 117.35 1qav h ALA 1052Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1qav h ALA 1052Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qav h ALA 1052CO -0.31 -0.23 0.06 1.49 0.00 0.00 0.00 179.25 180.26 1qav h GLU 1053N 0.28 0.38 0.00 0.00 4.22 -1.75 -2.97 114.58 114.74 1qav h GLU 1053Ca 0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 1qav h GLU 1053Cb -0.01 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1qav h GLU 1053CO -0.02 0.48 -0.15 1.96 -2.18 0.00 0.00 179.01 179.11 1qav h GLN 1054N 0.21 0.00 -0.37 1.92 4.20 -1.05 -2.45 115.11 117.57 1qav h GLN 1054Ca 0.07 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1qav h GLN 1054Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1qav h GLN 1054CO 0.00 0.15 -0.01 0.66 -0.67 0.00 0.00 178.83 178.96 1qav h SER 1055N 0.00 0.55 0.00 1.46 4.64 -1.15 -3.46 113.55 115.58 1qav h SER 1055Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1qav h SER 1055Cb 0.34 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1qav h SER 1055CO 0.02 0.63 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 1qav n GLY 1056N -0.80 0.44 0.43 -0.77 0.00 -0.92 -4.86 105.19 98.71 1qav n GLY 1056Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 1qav n GLY 1056CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qav n LEU 1057N 0.00 1.93 -4.25 0.99 4.77 -1.26 -4.57 117.00 114.62 1qav n LEU 1057Ca 0.00 -1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 54.63 1qav n LEU 1057Cb 0.10 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.02 1qav n LEU 1057CO 0.00 0.38 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.26 1qav s ILE 1058N -0.89 1.85 0.06 -0.08 1.01 -1.26 -5.00 121.20 116.89 1qav s ILE 1058Ca 0.13 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.84 1qav s ILE 1058Cb 0.09 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1qav s ILE 1058CO 0.13 0.52 -0.12 -1.10 0.00 0.00 0.00 174.94 174.37 1qav s GLN 1059N -0.38 0.74 0.31 2.79 -0.21 -1.26 -4.86 119.66 116.79 1qav s GLN 1059Ca 0.04 -0.86 -0.30 0.00 0.02 0.00 0.00 55.36 54.27 1qav s GLN 1059Cb -0.10 -0.68 -0.11 0.00 1.00 0.00 0.00 33.01 33.11 1qav s GLN 1059CO 0.01 0.15 1.58 0.00 -2.12 0.00 0.00 175.29 174.91 1qav n ALA 1060N 1.43 2.55 0.00 6.09 0.00 -1.26 -1.75 120.51 127.57 1qav n ALA 1060Ca -0.21 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1qav n ALA 1060Cb 0.54 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1qav n ALA 1060CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qav n GLY 1061N 1.82 2.07 3.72 0.00 0.00 0.60 -5.00 105.19 108.40 1qav n GLY 1061Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1qav n GLY 1061CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qav s ASP 1062N -1.64 6.87 -0.15 1.61 1.01 -0.72 -4.55 116.67 119.10 1qav s ASP 1062Ca 0.00 2.34 -0.18 0.00 0.71 0.00 0.00 52.55 55.42 1qav s ASP 1062Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1qav s ASP 1062CO 0.00 -0.59 0.46 -0.63 0.21 0.00 0.00 175.17 174.62 1qav s ILE 1063N 0.70 5.18 -0.48 0.77 1.01 -0.57 -0.50 121.20 127.32 1qav s ILE 1063Ca 0.61 0.89 -0.25 0.00 0.00 0.00 0.00 60.65 61.90 1qav s ILE 1063Cb -0.36 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 38.34 1qav s ILE 1063CO 0.33 0.29 0.91 -0.63 0.00 0.00 0.00 174.94 175.85 1qav s ILE 1064N 0.90 4.47 0.03 2.92 1.01 -1.12 -0.96 121.20 128.44 1qav s ILE 1064Ca 0.24 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 1qav s ILE 1064Cb -0.15 -4.45 -0.27 0.00 0.01 0.00 0.00 42.46 37.61 1qav s ILE 1064CO 0.09 -0.88 0.95 -0.07 0.00 0.00 0.00 174.94 175.03 1qav h LEU 1065N 10.61 0.34 -7.10 2.97 3.38 -1.06 -3.41 115.31 121.03 1qav h LEU 1065Ca -0.25 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.25 1qav h LEU 1065Cb 1.08 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 1qav h LEU 1065CO 1.03 1.36 0.13 0.00 0.09 0.00 0.00 178.44 181.05 1qav s ALA 1066N -2.63 -1.46 -0.15 1.53 0.00 -1.11 -0.32 121.76 117.62 1qav s ALA 1066Ca -0.07 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 1qav s ALA 1066Cb 0.07 0.68 0.04 0.00 0.00 0.00 0.00 23.12 23.91 1qav s ALA 1066CO 0.85 -0.66 -0.03 0.08 0.00 0.00 0.00 175.76 176.01 1qav s VAL 1067N -3.26 0.87 0.00 0.00 1.01 -0.17 -1.91 120.40 116.93 1qav s VAL 1067Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1qav s VAL 1067Cb -0.00 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1qav s VAL 1067CO -0.08 0.08 0.00 0.59 0.00 0.00 0.00 175.10 175.69 1qav n ASN 1068N 4.96 0.00 -2.35 3.32 5.03 0.01 -1.02 115.26 125.21 1qav n ASN 1068Ca -0.10 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.02 1qav n ASN 1068Cb 0.48 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.30 1qav n ASN 1068CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1qav n ASP 1069N 5.14 7.46 -3.57 6.41 5.75 -1.26 -4.85 116.55 131.62 1qav n ASP 1069Ca 0.00 -3.66 -0.26 0.00 -0.01 0.00 0.00 54.79 50.86 1qav n ASP 1069Cb 0.00 -1.01 -0.16 0.00 -1.03 0.00 0.00 41.12 38.92 1qav n ASP 1069CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qav s ARG 1070N -3.47 0.12 0.35 0.11 3.03 -0.19 -5.13 118.95 113.77 1qav s ARG 1070Ca 0.58 -0.20 -0.28 0.00 2.03 0.00 0.00 55.73 57.85 1qav s ARG 1070Cb 0.45 -1.54 -0.10 0.00 -1.03 0.00 0.00 34.95 32.74 1qav s ARG 1070CO -0.07 -0.79 1.26 -2.14 -1.13 0.00 0.00 175.30 172.42 1qav s PRO 1071N 2.15 4.28 0.00 3.89 0.02 -1.26 -1.00 135.00 143.07 1qav s PRO 1071Ca 0.05 2.09 0.12 0.00 0.02 0.00 0.00 61.00 63.28 1qav s PRO 1071Cb -0.16 -2.97 -0.13 0.00 0.02 0.00 0.00 34.50 31.26 1qav s PRO 1071CO -0.19 -0.21 0.53 1.28 -0.33 0.00 0.00 177.00 178.09 1qav n LEU 1072N 0.62 0.61 -0.36 -5.54 4.77 0.56 -4.71 117.00 112.95 1qav n LEU 1072Ca 0.01 -0.51 0.10 0.00 -0.03 0.00 0.00 56.01 55.59 1qav n LEU 1072Cb 0.43 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.81 1qav n LEU 1072CO 0.57 0.15 1.21 -0.37 -1.33 0.00 0.00 177.39 177.62 1qav h VAL 1073N 0.04 0.81 -0.55 4.08 -1.51 -1.79 -2.56 116.25 114.77 1qav h VAL 1073Ca 0.00 -0.30 -0.17 0.00 -1.23 0.00 0.00 66.70 65.00 1qav h VAL 1073Cb 0.30 -0.14 -0.10 0.00 -2.13 0.00 0.00 31.29 29.22 1qav h VAL 1073CO 0.00 0.16 0.15 -0.67 -1.23 0.00 0.00 177.57 175.97 1qav n ASP 1074N -4.69 4.03 -4.95 4.19 2.03 -1.26 -4.30 116.55 111.60 1qav n ASP 1074Ca 0.21 -3.31 -0.21 0.00 0.52 0.00 0.00 54.79 52.01 1qav n ASP 1074Cb 0.47 -0.68 -0.02 0.00 -0.72 0.00 0.00 41.12 40.18 1qav n ASP 1074CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1qav s LEU 1075N -3.03 4.12 0.67 -2.67 1.43 -0.96 -5.10 118.68 113.14 1qav s LEU 1075Ca 0.50 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 1qav s LEU 1075Cb 0.41 -2.73 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 1qav s LEU 1075CO 0.09 -0.18 1.06 -0.94 0.23 0.00 0.00 176.35 176.61 1qav s SER 1076N -4.02 5.48 0.15 2.29 1.04 -1.26 -4.65 113.70 112.73 1qav s SER 1076Ca 0.37 1.67 -0.17 0.00 0.48 0.00 0.00 55.95 58.30 1qav s SER 1076Cb -0.09 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.57 1qav s SER 1076CO 0.29 -1.37 1.72 0.22 0.98 0.00 0.00 173.24 175.08 1qav h TYR 1077N -0.42 0.06 -0.89 5.02 3.20 -1.96 -0.70 116.97 121.28 1qav h TYR 1077Ca -0.45 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 1qav h TYR 1077Cb 1.21 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 1qav h TYR 1077CO 0.61 -0.01 0.49 -0.44 -1.64 0.00 0.00 178.16 177.17 1qav h ASP 1078N 0.14 1.11 0.22 -2.11 3.32 -1.99 -1.22 116.42 115.89 1qav h ASP 1078Ca 0.15 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1qav h ASP 1078Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1qav h ASP 1078CO -0.22 0.89 -0.34 0.28 -1.72 0.00 0.00 179.24 178.13 1qav h SER 1079N 1.25 0.20 -0.37 6.45 0.02 -1.81 -1.52 113.55 117.76 1qav h SER 1079Ca 0.31 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1qav h SER 1079Cb 0.03 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1qav h SER 1079CO -0.05 0.53 -0.28 0.00 -1.14 0.00 0.00 176.83 175.89 1qav h ALA 1080N 1.48 0.53 -0.59 3.77 0.00 -0.47 -2.53 119.26 121.45 1qav h ALA 1080Ca 0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1qav h ALA 1080Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1qav h ALA 1080CO 0.05 0.55 0.06 -0.07 0.00 0.00 0.00 179.25 179.84 1qav h LEU 1081N 0.64 0.94 -1.48 0.00 3.38 -0.93 -2.17 115.31 115.69 1qav h LEU 1081Ca 0.07 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1qav h LEU 1081Cb 0.86 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1qav h LEU 1081CO 0.07 0.96 -0.24 1.05 0.09 0.00 0.00 178.44 180.38 1qav h GLU 1082N 0.91 0.03 -0.28 1.13 -0.00 -1.19 0.24 114.58 115.41 1qav h GLU 1082Ca 0.18 -0.01 -0.08 0.00 -0.00 0.00 0.00 59.36 59.45 1qav h GLU 1082Cb 0.45 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.19 1qav h GLU 1082CO 0.02 0.27 -0.14 0.28 -0.00 0.00 0.00 179.01 179.43 1qav h VAL 1083N 0.03 1.30 -0.54 -1.06 2.07 -0.97 -1.48 116.25 115.60 1qav h VAL 1083Ca 0.00 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 1qav h VAL 1083Cb 0.44 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1qav h VAL 1083CO 0.03 0.39 0.01 -0.07 0.02 0.00 0.00 177.57 177.96 1qav h LEU 1084N 0.33 0.92 -0.90 2.57 3.38 -0.88 -3.03 115.31 117.70 1qav h LEU 1084Ca 0.06 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1qav h LEU 1084Cb 0.66 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1qav h LEU 1084CO 0.04 0.99 -0.33 0.03 0.09 0.00 0.00 178.44 179.26 1qav h ARG 1085N 0.81 0.41 0.00 1.13 3.08 -0.94 -3.16 114.38 115.72 1qav h ARG 1085Ca 0.15 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1qav h ARG 1085Cb 0.52 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1qav h ARG 1085CO 0.03 0.70 0.00 0.41 -1.07 0.00 0.00 179.97 180.03 1qav n GLY 1086N -0.25 -1.26 3.69 0.04 0.00 -0.56 -4.87 105.19 101.98 1qav n GLY 1086Ca -0.01 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 1qav n GLY 1086CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qav n ILE 1087N -1.35 0.24 -1.68 -0.61 5.41 -1.18 -4.87 119.36 115.32 1qav n ILE 1087Ca 0.11 -0.04 -0.45 0.00 1.00 0.00 0.00 62.75 63.37 1qav n ILE 1087Cb 0.25 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.26 1qav n ILE 1087CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qav n ALA 1088N 4.91 1.70 -1.56 -1.39 0.00 -1.26 -4.95 120.51 117.95 1qav n ALA 1088Ca 0.18 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.71 1qav n ALA 1088Cb 0.33 -2.38 0.04 0.00 0.00 0.00 0.00 19.45 17.44 1qav n ALA 1088CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qav s SER 1089N 0.82 5.22 -1.01 0.00 0.15 -1.26 -3.74 113.70 113.88 1qav s SER 1089Ca 0.75 2.03 -0.05 0.00 0.70 0.00 0.00 55.95 59.39 1qav s SER 1089Cb -0.63 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.13 1qav s SER 1089CO 0.40 -1.55 0.63 -0.62 1.20 0.00 0.00 173.24 173.29 1qav n GLU 1090N -2.20 -4.52 -4.18 5.44 -0.58 0.43 -4.98 120.64 110.04 1qav n GLU 1090Ca 0.11 0.60 -0.11 0.00 -0.42 0.00 0.00 57.16 57.34 1qav n GLU 1090Cb 0.52 -4.88 -0.10 0.00 -0.57 0.00 0.00 31.44 26.41 1qav n GLU 1090CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1qav s THR 1091N -3.11 0.28 -0.08 2.62 -4.23 -1.24 -4.96 115.64 104.91 1qav s THR 1091Ca 0.31 -1.93 -0.21 0.00 -1.18 0.00 0.00 61.69 58.68 1qav s THR 1091Cb -0.14 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 1qav s THR 1091CO 0.39 -0.45 0.59 -1.00 -0.54 0.00 0.00 174.62 173.61 1qav s HIS 1092N -3.93 3.56 -0.10 3.99 3.76 -1.26 -1.07 115.29 120.24 1qav s HIS 1092Ca 0.25 1.09 0.03 0.00 -0.15 0.00 0.00 55.06 56.27 1qav s HIS 1092Cb 0.07 -2.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.08 1qav s HIS 1092CO 0.03 0.16 -0.20 0.08 -0.85 0.00 0.00 174.74 173.96 1qav s VAL 1093N 0.59 2.48 -0.26 -0.90 1.01 0.18 -4.96 120.40 118.53 1qav s VAL 1093Ca 0.32 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1qav s VAL 1093Cb -0.17 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1qav s VAL 1093CO 0.15 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.22 1qav s VAL 1094N 0.23 4.65 -0.17 2.92 1.01 -1.26 -0.62 120.40 127.16 1qav s VAL 1094Ca -0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 1qav s VAL 1094Cb -0.16 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1qav s VAL 1094CO 0.07 0.31 0.03 -0.76 0.00 0.00 0.00 175.10 174.75 1qav s LEU 1095N 1.65 3.66 -0.32 3.92 1.43 0.11 -0.81 118.68 128.33 1qav s LEU 1095Ca 0.07 0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 1qav s LEU 1095Cb -0.15 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1qav s LEU 1095CO 0.06 0.19 0.21 -0.63 0.23 0.00 0.00 176.35 176.41 1qav s ILE 1096N 0.25 5.13 0.11 -0.59 -1.09 -0.80 -0.48 121.20 123.72 1qav s ILE 1096Ca 0.02 -0.16 0.10 0.00 -2.23 0.00 0.00 60.65 58.38 1qav s ILE 1096Cb -0.13 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1qav s ILE 1096CO 0.01 0.08 -0.25 -0.76 -1.23 0.00 0.00 174.94 172.79 1qav s LEU 1097N 1.71 2.29 -0.17 2.97 1.43 -0.22 -0.38 118.68 126.32 1qav s LEU 1097Ca 0.06 -0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1qav s LEU 1097Cb -0.17 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 1qav s LEU 1097CO 0.10 0.15 -0.05 -0.60 0.23 0.00 0.00 176.35 176.18 1qav s ARG 1098N -1.90 3.55 0.99 1.70 3.52 -0.14 -0.94 118.95 125.73 1qav s ARG 1098Ca 0.11 -0.57 -0.14 0.00 -0.13 0.00 0.00 55.73 55.00 1qav s ARG 1098Cb -0.10 -2.89 0.18 0.00 -1.56 0.00 0.00 34.95 30.58 1qav s ARG 1098CO 0.05 0.12 1.16 0.20 -0.81 0.00 0.00 175.30 176.02 1qav s GLY 1099N 0.65 1.61 0.35 8.12 0.00 0.11 -1.50 107.32 116.67 1qav s GLY 1099Ca -0.03 -0.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.69 1qav s GLY 1099CO 0.02 -0.05 1.51 -1.55 0.00 0.00 0.00 173.10 173.03 1qav n PRO 1100N -4.00 2.66 -1.79 2.90 -0.04 -1.26 -4.84 135.00 128.62 1qav n PRO 1100Ca 0.09 0.94 -0.37 0.00 -0.04 0.00 0.00 63.50 64.11 1qav n PRO 1100Cb 0.59 -2.68 0.05 0.00 -0.04 0.00 0.00 33.50 31.43 1qav n PRO 1100CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1qav s GLU 1101N -1.68 2.85 0.00 0.54 1.03 -1.26 -2.82 118.70 117.36 1qav s GLU 1101Ca 0.56 2.11 0.00 0.00 0.03 0.00 0.00 54.97 57.67 1qav s GLU 1101Cb -0.48 -2.03 0.00 0.00 -0.80 0.00 0.00 34.13 30.82 1qav s GLU 1101CO 0.60 -1.38 0.00 0.41 -1.33 0.00 0.00 175.26 173.56 1qav n GLY 1102N 0.78 0.94 3.28 -3.83 0.00 -1.26 -5.03 105.19 100.08 1qav n GLY 1102Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1qav n GLY 1102CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qav s PHE 1103N -2.71 1.40 -0.03 1.61 0.40 -1.13 -1.41 117.98 116.12 1qav s PHE 1103Ca 0.00 -1.09 0.06 0.00 -0.60 0.00 0.00 56.93 55.29 1qav s PHE 1103Cb 0.00 -0.81 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 1qav s PHE 1103CO 0.00 -0.26 -0.19 -0.08 0.70 0.00 0.00 175.22 175.38 1qav s THR 1104N -3.69 2.66 -0.01 0.64 -1.32 0.48 -4.77 115.64 109.62 1qav s THR 1104Ca 0.31 -0.93 0.01 0.00 -1.21 0.00 0.00 61.69 59.87 1qav s THR 1104Cb 0.07 -2.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.05 1qav s THR 1104CO 0.09 0.55 -0.04 -0.89 -2.21 0.00 0.00 174.62 172.12 1qav s THR 1105N -0.72 0.35 0.16 5.08 2.01 -0.85 -1.59 115.64 120.08 1qav s THR 1105Ca 0.11 -0.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.83 1qav s THR 1105Cb -0.10 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.10 1qav s THR 1105CO 0.01 0.12 0.39 -1.38 -0.69 0.00 0.00 174.62 173.06 1qav s HIS 1106N 0.15 0.04 0.18 4.92 -3.43 -0.70 -3.75 115.29 112.69 1qav s HIS 1106Ca -0.01 -0.39 0.07 0.00 -0.80 0.00 0.00 55.06 53.93 1qav s HIS 1106Cb -0.05 0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 31.24 1qav s HIS 1106CO -0.00 -0.76 0.06 -0.51 -2.00 0.00 0.00 174.74 171.52 1qav s LEU 1107N -2.88 3.49 -0.11 5.38 1.43 -1.26 -0.82 118.68 123.92 1qav s LEU 1107Ca 0.09 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1qav s LEU 1107Cb 0.02 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 44.17 1qav s LEU 1107CO -0.05 0.07 0.18 -0.70 0.23 0.00 0.00 176.35 176.07 1qav s GLU 1108N -3.10 0.07 -0.15 1.70 2.12 -0.52 -4.98 118.70 113.84 1qav s GLU 1108Ca 0.29 0.52 -0.03 0.00 0.36 0.00 0.00 54.97 56.11 1qav s GLU 1108Cb -0.09 -0.41 -0.03 0.00 0.26 0.00 0.00 34.13 33.86 1qav s GLU 1108CO 0.21 -0.36 -0.04 0.99 -0.54 0.00 0.00 175.26 175.52 1qav s THR 1109N 2.31 3.89 -0.10 -1.70 2.01 -1.26 -1.39 115.64 119.40 1qav s THR 1109Ca 0.03 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 1qav s THR 1109Cb -0.13 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1qav s THR 1109CO -0.07 0.50 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.42 1qav s THR 1110N 0.26 3.84 -0.40 -0.82 2.01 -0.00 -4.93 115.64 115.59 1qav s THR 1110Ca -0.03 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1qav s THR 1110Cb -0.14 -2.62 0.11 0.00 0.01 0.00 0.00 72.50 69.86 1qav s THR 1110CO 0.03 0.56 0.13 -0.36 -0.69 0.00 0.00 174.62 174.29 1qav s PHE 1111N -0.37 3.62 0.06 4.92 0.40 -1.26 -1.45 117.98 123.91 1qav s PHE 1111Ca 0.06 -2.93 -0.07 0.00 -0.60 0.00 0.00 56.93 53.38 1qav s PHE 1111Cb -0.12 -2.97 -0.01 0.00 0.51 0.00 0.00 43.02 40.43 1qav s PHE 1111CO 0.02 -0.91 0.13 0.95 0.70 0.00 0.00 175.22 176.11 1qav s THR 1112N 0.68 0.15 0.37 0.64 -4.23 -1.26 -5.11 115.64 106.88 1qav s THR 1112Ca 0.12 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1qav s THR 1112Cb -0.21 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1qav s THR 1112CO -0.06 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 1qav n GLY 1113N 0.30 -2.28 0.19 3.99 0.00 -1.26 -4.32 105.19 101.81 1qav n GLY 1113Ca -0.16 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.81 1qav n GLY 1113CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1qav h ASP 1114N -1.20 0.00 -3.67 1.61 2.03 -2.04 -3.46 116.42 109.69 1qav h ASP 1114Ca -0.04 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.81 1qav h ASP 1114Cb 1.17 0.00 0.18 0.00 -0.83 0.00 0.00 39.33 39.86 1qav h ASP 1114CO 0.03 0.00 0.12 -0.83 -1.03 0.00 0.00 179.24 177.53 1qav s GLY 1115N -4.01 1.57 0.88 7.15 0.00 -1.26 -4.98 107.32 106.67 1qav s GLY 1115Ca 0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.53 1qav s GLY 1115CO 0.62 0.48 1.15 -0.37 0.00 0.00 0.00 173.10 174.98 1qav n THR 1116N -4.47 0.71 -1.84 0.90 5.66 -1.26 -4.83 114.28 109.15 1qav n THR 1116Ca 0.05 -0.08 -0.37 0.00 -3.05 0.00 0.00 64.05 60.60 1qav n THR 1116Cb 0.55 -1.06 0.04 0.00 -1.55 0.00 0.00 70.33 68.32 1qav n THR 1116CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1qav s PRO 1117N -4.43 2.98 -0.28 1.09 0.02 -1.26 -4.90 135.00 128.21 1qav s PRO 1117Ca 0.69 2.09 -0.05 0.00 0.02 0.00 0.00 61.00 63.75 1qav s PRO 1117Cb -0.25 -2.09 0.02 0.00 0.02 0.00 0.00 34.50 32.19 1qav s PRO 1117CO 0.56 -1.27 0.03 0.21 -0.33 0.00 0.00 177.00 176.20 1qav s LYS 1118N -3.10 2.97 -0.16 5.54 2.20 -0.53 -4.93 119.74 121.73 1qav s LYS 1118Ca 0.75 -0.92 -0.07 0.00 -0.36 0.00 0.00 55.97 55.37 1qav s LYS 1118Cb -0.37 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1qav s LYS 1118CO 0.42 -0.44 0.10 0.99 -0.36 0.00 0.00 175.35 176.05 1qav s THR 1119N 1.43 5.11 0.15 3.43 2.01 -1.26 -0.82 115.64 125.69 1qav s THR 1119Ca 0.01 0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.18 1qav s THR 1119Cb -0.17 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1qav s THR 1119CO 0.00 0.51 -0.21 0.27 -0.69 0.00 0.00 174.62 174.50 1qav s ILE 1120N -0.14 1.96 -0.10 1.82 -4.36 -0.48 -4.91 121.20 114.98 1qav s ILE 1120Ca 0.09 -1.84 0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1qav s ILE 1120Cb -0.12 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 1qav s ILE 1120CO 0.01 -0.17 -0.12 -0.60 0.24 0.00 0.00 174.94 174.29 1qav s ARG 1121N -2.49 3.06 -0.10 0.37 3.52 -1.26 -1.43 118.95 120.62 1qav s ARG 1121Ca 0.14 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 1qav s ARG 1121Cb -0.08 -2.56 -0.01 0.00 -1.56 0.00 0.00 34.95 30.74 1qav s ARG 1121CO 0.07 0.39 -0.17 0.08 -0.81 0.00 0.00 175.30 174.86 1qav s VAL 1122N -0.11 2.74 -0.05 7.11 1.01 -0.00 -4.98 120.40 126.12 1qav s VAL 1122Ca -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1qav s VAL 1122Cb -0.14 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1qav s VAL 1122CO 0.03 0.55 -0.13 -0.89 0.00 0.00 0.00 175.10 174.66 1qav s THR 1123N 0.03 1.18 -0.06 3.92 2.01 -1.26 -1.73 115.64 119.73 1qav s THR 1123Ca -0.06 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 1qav s THR 1123Cb -0.15 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.33 1qav s THR 1123CO 0.05 0.36 0.27 -1.10 -0.69 0.00 0.00 174.62 173.50 1qav s GLN 1124N 0.41 0.46 0.49 4.92 -0.21 -0.62 -4.98 119.66 120.12 1qav s GLN 1124Ca -0.10 0.08 -0.23 0.00 0.02 0.00 0.00 55.36 55.13 1qav s GLN 1124Cb -0.13 0.21 -0.07 0.00 1.00 0.00 0.00 33.01 34.02 1qav s GLN 1124CO 0.03 -0.10 1.34 -1.25 -2.12 0.00 0.00 175.29 173.19 1qav s PRO 1125N -0.57 3.50 0.00 2.91 0.04 -1.26 -0.39 135.00 139.23 1qav s PRO 1125Ca -0.07 2.19 0.02 0.00 0.04 0.00 0.00 61.00 63.18 1qav s PRO 1125Cb -0.04 -2.45 0.09 0.00 0.04 0.00 0.00 34.50 32.14 1qav s PRO 1125CO 0.02 -0.89 0.58 1.28 0.04 0.00 0.00 177.00 178.03