#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aro s VAL 1003N 0.00 3.63 -0.05 5.15 0.11 -1.26 -5.03 120.40 122.95 1aro s VAL 1003Ca 0.00 1.47 0.01 0.00 -2.93 0.00 0.00 61.98 60.53 1aro s VAL 1003Cb 0.00 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 1aro s VAL 1003CO 0.00 0.28 -0.05 -1.10 -3.33 0.00 0.00 175.10 170.90 1aro s GLN 1004N -0.69 2.76 0.21 1.54 -0.21 -1.26 -5.06 119.66 116.95 1aro s GLN 1004Ca 0.49 -0.56 0.08 0.00 0.02 0.00 0.00 55.36 55.40 1aro s GLN 1004Cb -0.31 -2.62 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 1aro s GLN 1004CO 0.38 0.66 -0.02 -0.06 -2.12 0.00 0.00 175.29 174.13 1aro s PHE 1005N -0.88 2.76 1.13 0.91 0.08 -1.26 -5.12 117.98 115.59 1aro s PHE 1005Ca 0.14 -0.18 -0.19 0.00 0.12 0.00 0.00 56.93 56.82 1aro s PHE 1005Cb -0.11 -1.30 0.12 0.00 -0.57 0.00 0.00 43.02 41.15 1aro s PHE 1005CO 0.03 0.55 0.03 1.63 -0.10 0.00 0.00 175.22 177.36 1aro n LYS 1006N -0.36 -1.68 -4.22 0.44 5.02 -1.26 -4.77 118.16 111.34 1aro n LYS 1006Ca -0.09 -0.47 -0.35 0.00 -2.02 0.00 0.00 58.31 55.38 1aro n LYS 1006Cb 0.56 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.78 1aro n LYS 1006CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1aro s GLN 1007N -3.48 3.06 0.09 1.97 -0.21 -1.26 -2.57 119.66 117.26 1aro s GLN 1007Ca 0.56 -0.40 -0.31 0.00 0.02 0.00 0.00 55.36 55.24 1aro s GLN 1007Cb -0.12 -2.86 -0.07 0.00 1.00 0.00 0.00 33.01 30.96 1aro s GLN 1007CO 0.66 0.70 1.37 1.03 -2.12 0.00 0.00 175.29 176.92 1aro s ARG 1008N -1.17 4.33 0.00 2.91 0.52 -1.23 -4.80 118.95 119.51 1aro s ARG 1008Ca 0.16 2.02 0.11 0.00 -0.52 0.00 0.00 55.73 57.50 1aro s ARG 1008Cb -0.12 -3.31 0.64 0.00 0.52 0.00 0.00 34.95 32.69 1aro s ARG 1008CO 0.06 -0.43 1.08 0.39 0.02 0.00 0.00 175.30 176.41 1aro n GLU 1009N 4.15 0.35 0.00 3.54 1.02 -1.26 -4.78 120.64 123.66 1aro n GLU 1009Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1aro n GLU 1009Cb 0.43 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1aro n GLU 1009CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1aro n SER 1010N -0.98 0.00 -4.00 1.62 3.41 -1.26 -5.13 113.62 107.28 1aro n SER 1010Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.38 1aro n SER 1010Cb 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.83 1aro n SER 1010CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1aro s THR 1011N -2.00 1.88 -0.09 6.66 2.01 -1.26 -4.28 115.64 118.55 1aro s THR 1011Ca 0.00 -1.57 0.12 0.00 0.31 0.00 0.00 61.69 60.55 1aro s THR 1011Cb 0.00 -2.12 -0.18 0.00 0.01 0.00 0.00 72.50 70.21 1aro s THR 1011CO 0.00 -0.17 0.30 0.47 -0.69 0.00 0.00 174.62 174.53 1aro n ASP 1012N 4.52 2.02 -4.21 3.53 8.00 -1.03 -4.49 116.55 124.89 1aro n ASP 1012Ca -0.10 -0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.17 1aro n ASP 1012Cb 0.43 1.47 -0.10 0.00 -0.02 0.00 0.00 41.12 42.90 1aro n ASP 1012CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aro s ALA 1013N -2.73 1.18 -0.27 2.24 0.00 -1.23 -0.93 121.76 120.02 1aro s ALA 1013Ca -0.03 -1.61 -0.02 0.00 0.00 0.00 0.00 51.96 50.30 1aro s ALA 1013Cb 0.08 0.90 0.11 0.00 0.00 0.00 0.00 23.12 24.21 1aro s ALA 1013CO 0.50 -0.46 0.23 0.42 0.00 0.00 0.00 175.76 176.45 1aro s ILE 1014N -3.92 -0.28 0.15 0.00 1.01 -0.06 -2.61 121.20 115.49 1aro s ILE 1014Ca 0.29 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 1aro s ILE 1014Cb 0.07 -0.91 -0.06 0.00 0.01 0.00 0.00 42.46 41.57 1aro s ILE 1014CO 0.06 -0.48 0.45 -0.36 0.00 0.00 0.00 174.94 174.61 1aro s PHE 1015N 2.27 3.51 -0.21 3.97 0.40 0.11 -1.82 117.98 126.21 1aro s PHE 1015Ca 0.09 0.78 -0.00 0.00 -0.60 0.00 0.00 56.93 57.19 1aro s PHE 1015Cb -0.15 -2.17 0.02 0.00 0.51 0.00 0.00 43.02 41.23 1aro s PHE 1015CO -0.29 0.41 -0.14 0.08 0.70 0.00 0.00 175.22 175.98 1aro s VAL 1016N -1.61 2.46 0.00 -0.44 1.01 -1.22 -0.43 120.40 120.18 1aro s VAL 1016Ca 0.40 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1aro s VAL 1016Cb -0.13 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1aro s VAL 1016CO 0.21 0.40 0.00 1.57 0.00 0.00 0.00 175.10 177.28 1aro n HIS 1017N 4.64 -0.51 -3.40 5.22 -0.00 -0.04 -3.40 115.22 117.72 1aro n HIS 1017Ca -0.19 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.01 1aro n HIS 1017Cb 0.49 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.33 1aro n HIS 1017CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1aro n SER 1019N 5.26 -3.09 -2.31 0.00 3.41 -1.22 -4.82 113.62 110.86 1aro n SER 1019Ca -0.08 0.13 -0.34 0.00 -0.26 0.00 0.00 58.87 58.32 1aro n SER 1019Cb 0.51 -0.96 0.07 0.00 -0.26 0.00 0.00 64.21 63.58 1aro n SER 1019CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aro n ALA 1020N -3.59 6.19 -2.64 7.33 0.00 -1.26 -4.08 120.51 122.46 1aro n ALA 1020Ca 0.02 -3.54 -0.28 0.00 0.00 0.00 0.00 53.44 49.64 1aro n ALA 1020Cb 0.59 -1.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 1aro n ALA 1020CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1aro s THR 1021N -4.81 5.11 0.51 0.00 -4.23 -1.26 -4.70 115.64 106.26 1aro s THR 1021Ca 0.63 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.98 1aro s THR 1021Cb 0.50 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.61 1aro s THR 1021CO -0.01 -0.22 0.79 -0.54 -0.54 0.00 0.00 174.62 174.09 1aro s LYS 1022N -3.36 3.15 0.00 3.99 1.02 -1.26 -2.96 119.74 120.33 1aro s LYS 1022Ca 0.41 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.30 1aro s LYS 1022Cb -0.11 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1aro s LYS 1022CO 0.29 -0.41 0.82 -2.30 -0.92 0.00 0.00 175.35 172.83 1aro n PRO 1023N -2.32 0.00 0.00 -1.68 -0.02 -1.26 -1.51 135.00 128.21 1aro n PRO 1023Ca 0.02 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 61.95 1aro n PRO 1023Cb 0.57 -1.55 -0.02 0.00 -0.02 0.00 0.00 33.50 32.48 1aro n PRO 1023CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1aro n SER 1024N -1.32 1.11 -4.42 2.55 2.88 -1.26 -4.83 113.62 108.33 1aro n SER 1024Ca 0.00 -0.97 -0.44 0.00 -1.33 0.00 0.00 58.87 56.13 1aro n SER 1024Cb 0.05 0.74 -0.08 0.00 -0.75 0.00 0.00 64.21 64.17 1aro n SER 1024CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1aro s GLN 1025N -2.88 3.02 -1.27 -1.46 -0.21 -0.57 -4.97 119.66 111.32 1aro s GLN 1025Ca 0.11 -1.15 -0.05 0.00 0.02 0.00 0.00 55.36 54.29 1aro s GLN 1025Cb 0.17 -4.09 0.16 0.00 1.00 0.00 0.00 33.01 30.25 1aro s GLN 1025CO 0.77 -1.01 2.22 -1.71 -2.12 0.00 0.00 175.29 173.43 1aro n ASN 1026N 5.45 7.49 -4.86 5.90 5.15 -1.26 -4.86 115.26 128.26 1aro n ASN 1026Ca -0.10 -3.21 -0.30 0.00 -0.60 0.00 0.00 54.58 50.36 1aro n ASN 1026Cb 0.45 -1.35 0.06 0.00 -0.53 0.00 0.00 39.78 38.41 1aro n ASN 1026CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1aro s VAL 1027N -1.36 3.26 0.00 3.44 -7.23 -1.26 -5.01 120.40 112.24 1aro s VAL 1027Ca 0.49 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 1aro s VAL 1027Cb 0.17 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.78 1aro s VAL 1027CO -0.08 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 1aro n GLY 1028N -2.77 4.14 0.19 2.32 0.00 -1.26 -4.68 105.19 103.12 1aro n GLY 1028Ca 0.07 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 1aro n GLY 1028CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1aro h VAL 1029N 0.00 1.14 -0.11 1.61 3.04 -1.93 0.22 116.25 120.21 1aro h VAL 1029Ca 0.00 -0.31 0.02 0.00 -1.01 0.00 0.00 66.70 65.41 1aro h VAL 1029Cb 0.00 0.56 -0.05 0.00 -2.01 0.00 0.00 31.29 29.79 1aro h VAL 1029CO 0.00 0.14 -0.40 -0.09 -1.01 0.00 0.00 177.57 176.20 1aro h ARG 1030N 0.57 -0.41 -0.31 4.17 2.43 -1.99 0.30 114.38 119.15 1aro h ARG 1030Ca 0.16 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1aro h ARG 1030Cb -0.01 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1aro h ARG 1030CO -0.03 -0.27 0.18 0.93 -1.51 0.00 0.00 179.97 179.26 1aro h GLU 1031N -0.43 0.36 -0.01 0.20 4.39 -1.92 -2.38 114.58 114.79 1aro h GLU 1031Ca 0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1aro h GLU 1031Cb 0.50 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1aro h GLU 1031CO -0.33 0.24 0.01 0.82 -1.16 0.00 0.00 179.01 178.58 1aro h ILE 1032N 0.37 0.80 0.04 3.13 1.08 -0.17 -0.71 117.51 122.05 1aro h ILE 1032Ca 0.12 0.00 -0.24 0.00 -0.39 0.00 0.00 64.86 64.35 1aro h ILE 1032Cb 0.00 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 1aro h ILE 1032CO -0.06 0.00 -1.02 -0.09 -0.69 0.00 0.00 178.15 176.29 1aro h ARG 1033N 0.00 0.39 0.18 2.37 2.43 0.06 -3.00 114.38 116.81 1aro h ARG 1033Ca 0.00 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1aro h ARG 1033Cb 0.02 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1aro h ARG 1033CO -0.00 1.14 -0.15 0.37 -1.51 0.00 0.00 179.97 179.82 1aro h GLN 1034N 0.20 -0.34 -0.08 0.20 -0.00 -0.66 0.37 115.11 114.79 1aro h GLN 1034Ca -0.10 0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1aro h GLN 1034Cb 1.68 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 29.23 1aro h GLN 1034CO 0.18 -0.23 -0.07 -1.49 0.00 0.00 0.00 178.83 177.22 1aro h TRP 1035N -0.35 -0.21 -0.86 3.99 -0.00 -1.47 -0.70 115.95 116.34 1aro h TRP 1035Ca -0.00 0.01 0.22 0.00 -0.00 0.00 0.00 58.89 59.12 1aro h TRP 1035Cb 0.32 0.10 -0.15 0.00 -0.00 0.00 0.00 29.16 29.44 1aro h TRP 1035CO -0.12 -0.05 0.12 0.45 -0.00 0.00 0.00 178.44 178.83 1aro h HIS 1036N -0.03 0.13 -0.62 0.49 3.86 -1.32 0.68 115.15 118.35 1aro h HIS 1036Ca 0.01 0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.37 1aro h HIS 1036Cb 0.06 0.08 -0.07 0.00 1.06 0.00 0.00 27.41 28.54 1aro h HIS 1036CO -0.76 -0.26 0.26 -0.22 0.86 0.00 0.00 177.93 177.80 1aro h LYS 1037N 0.13 0.44 -0.06 2.45 3.64 0.93 0.53 116.57 124.63 1aro h LYS 1037Ca 0.51 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.81 1aro h LYS 1037Cb 1.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1aro h LYS 1037CO -0.71 0.29 -0.22 0.93 -2.27 0.00 0.00 179.45 177.47 1aro h GLU 1038N 0.46 0.11 0.00 1.90 5.08 0.16 0.28 114.58 122.56 1aro h GLU 1038Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1aro h GLU 1038Cb 0.35 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1aro h GLU 1038CO -0.28 0.33 0.00 0.94 -1.00 0.00 0.00 179.01 179.00 1aro n GLN 1039N -4.23 0.78 -1.92 2.33 7.27 0.16 -4.88 117.38 116.89 1aro n GLN 1039Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1aro n GLN 1039Cb 0.31 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.58 1aro n GLN 1039CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1aro n GLY 1040N 0.50 0.69 3.27 1.69 0.00 0.97 -5.01 105.19 107.31 1aro n GLY 1040Ca 0.14 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1aro n GLY 1040CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1aro s TRP 1041N -2.30 2.15 0.31 1.61 0.51 -0.57 -4.98 118.94 115.66 1aro s TRP 1041Ca 0.00 -0.42 0.28 0.00 -2.12 0.00 0.00 56.10 53.84 1aro s TRP 1041Cb 0.00 -1.39 1.54 0.00 -0.81 0.00 0.00 33.47 32.81 1aro s TRP 1041CO 0.00 -0.05 1.85 -0.07 -0.51 0.00 0.00 176.95 178.17 1aro h LEU 1042N 5.57 0.00 -7.10 2.99 3.38 -1.93 -3.36 115.31 114.86 1aro h LEU 1042Ca -0.41 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.71 1aro h LEU 1042Cb 1.13 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 1aro h LEU 1042CO 0.47 0.00 0.56 -0.62 0.09 0.00 0.00 178.44 178.94 1aro s ASP 1043N -4.31 -0.29 0.48 -0.43 -1.08 -1.26 -4.97 116.67 104.80 1aro s ASP 1043Ca -0.03 -0.06 -0.22 0.00 -0.52 0.00 0.00 52.55 51.71 1aro s ASP 1043Cb 0.08 0.35 -0.09 0.00 -1.46 0.00 0.00 42.92 41.80 1aro s ASP 1043CO 0.26 -0.59 0.92 0.55 0.52 0.00 0.00 175.17 176.83 1aro n VAL 1044N -0.26 2.65 1.46 1.11 3.14 -1.26 -4.87 118.33 120.30 1aro n VAL 1044Ca -0.07 -0.50 0.14 0.00 -2.96 0.00 0.00 64.34 60.95 1aro n VAL 1044Cb 0.61 -1.07 0.52 0.00 -1.06 0.00 0.00 33.84 32.85 1aro n VAL 1044CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1aro n GLY 1045N 1.30 -0.34 3.86 7.55 0.00 -1.26 -4.54 105.19 111.76 1aro n GLY 1045Ca 0.11 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1aro n GLY 1045CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aro s TYR 1046N -2.19 2.95 -0.23 1.61 2.02 -1.26 -1.97 117.35 118.28 1aro s TYR 1046Ca 0.34 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.65 1aro s TYR 1046Cb 0.20 -1.77 -0.18 0.00 -0.40 0.00 0.00 41.96 39.81 1aro s TYR 1046CO 0.40 0.20 -0.03 0.72 -1.57 0.00 0.00 175.55 175.27 1aro n HIS 1047N -1.38 0.53 -4.31 2.71 8.25 -0.92 -1.54 115.22 118.55 1aro n HIS 1047Ca -0.02 0.18 -0.17 0.00 -0.26 0.00 0.00 57.72 57.45 1aro n HIS 1047Cb 0.59 -1.06 -0.10 0.00 1.12 0.00 0.00 29.99 30.54 1aro n HIS 1047CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1aro s PHE 1048N -2.48 1.54 -0.12 4.41 0.40 -1.20 0.30 117.98 120.83 1aro s PHE 1048Ca -0.32 -0.65 -0.11 0.00 -0.60 0.00 0.00 56.93 55.25 1aro s PHE 1048Cb 0.10 -0.74 0.03 0.00 0.51 0.00 0.00 43.02 42.92 1aro s PHE 1048CO 0.59 0.25 0.32 0.96 0.70 0.00 0.00 175.22 178.04 1aro s ILE 1049N -3.11 -0.01 -0.36 0.64 -4.36 -0.63 -2.96 121.20 110.41 1aro s ILE 1049Ca 0.20 0.02 -0.06 0.00 -0.26 0.00 0.00 60.65 60.55 1aro s ILE 1049Cb 0.01 -0.46 0.06 0.00 1.25 0.00 0.00 42.46 43.32 1aro s ILE 1049CO 0.05 0.01 0.14 -0.63 0.24 0.00 0.00 174.94 174.75 1aro s ILE 1050N 0.36 3.73 0.57 8.37 1.01 -0.60 -1.12 121.20 133.52 1aro s ILE 1050Ca -0.02 -1.35 -0.20 0.00 0.00 0.00 0.00 60.65 59.08 1aro s ILE 1050Cb -0.03 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1aro s ILE 1050CO -0.01 -0.32 1.27 -0.54 0.00 0.00 0.00 174.94 175.33 1aro s LYS 1051N 1.35 3.06 0.52 2.79 1.02 -0.09 -1.83 119.74 126.56 1aro s LYS 1051Ca 0.00 1.99 0.38 0.00 0.02 0.00 0.00 55.97 58.37 1aro s LYS 1051Cb -0.21 -2.09 1.55 0.00 -0.52 0.00 0.00 37.83 36.56 1aro s LYS 1051CO 0.01 -1.18 1.71 0.00 -0.92 0.00 0.00 175.35 174.97 1aro h ARG 1052N 1.17 0.05 0.05 1.68 2.47 -1.83 0.85 114.38 118.82 1aro h ARG 1052Ca -0.51 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.21 1aro h ARG 1052Cb 1.30 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1aro h ARG 1052CO 0.56 0.03 -0.06 0.22 0.56 0.00 0.00 179.97 181.28 1aro h ASP 1053N 0.05 -0.18 0.00 7.04 1.82 -1.96 -3.43 116.42 119.76 1aro h ASP 1053Ca 0.71 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.37 1aro h ASP 1053Cb 2.67 0.06 0.00 0.00 0.68 0.00 0.00 39.33 42.75 1aro h ASP 1053CO -0.09 -0.08 0.00 0.61 -1.61 0.00 0.00 179.24 178.07 1aro n GLY 1054N -1.07 0.26 3.70 -0.78 0.00 0.29 -4.61 105.19 102.99 1aro n GLY 1054Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1aro n GLY 1054CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aro n THR 1055N 0.00 0.16 -3.30 2.61 -1.04 -1.26 -4.72 114.28 106.72 1aro n THR 1055Ca 0.00 -0.03 -0.45 0.00 -2.04 0.00 0.00 64.05 61.53 1aro n THR 1055Cb 0.00 -1.95 -0.06 0.00 -1.82 0.00 0.00 70.33 66.50 1aro n THR 1055CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1aro s VAL 1056N 1.80 5.15 -0.11 12.58 1.01 -1.26 -0.91 120.40 138.66 1aro s VAL 1056Ca 0.79 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 1aro s VAL 1056Cb -0.54 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.52 1aro s VAL 1056CO 0.36 -0.80 0.59 -1.61 0.00 0.00 0.00 175.10 173.64 1aro s GLU 1057N 1.81 4.36 0.02 2.72 2.02 -0.27 -4.92 118.70 124.45 1aro s GLU 1057Ca 0.05 0.65 -0.30 0.00 0.02 0.00 0.00 54.97 55.39 1aro s GLU 1057Cb -0.27 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 1aro s GLU 1057CO 0.05 0.07 1.05 0.00 0.02 0.00 0.00 175.26 176.45 1aro s ALA 1058N 0.87 3.24 0.00 5.21 0.00 -1.26 -1.60 121.76 128.22 1aro s ALA 1058Ca 0.31 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1aro s ALA 1058Cb -0.16 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1aro s ALA 1058CO 0.13 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1aro n GLY 1059N 2.98 0.49 3.67 0.00 0.00 0.87 -4.95 105.19 108.26 1aro n GLY 1059Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1aro n GLY 1059CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aro s ARG 1060N 3.18 1.05 0.21 1.61 0.52 -0.59 -4.87 118.95 120.06 1aro s ARG 1060Ca 0.00 1.42 -0.32 0.00 -0.52 0.00 0.00 55.73 56.31 1aro s ARG 1060Cb 0.00 -1.74 -0.14 0.00 0.52 0.00 0.00 34.95 33.59 1aro s ARG 1060CO 0.00 -2.57 1.45 -3.47 0.02 0.00 0.00 175.30 170.73 1aro n ASP 1061N -4.18 2.81 -0.30 0.23 -0.08 -1.26 -4.63 116.55 109.13 1aro n ASP 1061Ca 0.11 1.12 0.10 0.00 -1.51 0.00 0.00 54.79 54.61 1aro n ASP 1061Cb 0.52 -1.42 0.20 0.00 2.34 0.00 0.00 41.12 42.77 1aro n ASP 1061CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1aro n GLU 1062N 2.43 -0.07 -1.59 -0.67 1.02 -1.26 -1.61 120.64 118.90 1aro n GLU 1062Ca 0.13 1.31 -0.33 0.00 -0.02 0.00 0.00 57.16 58.25 1aro n GLU 1062Cb 0.30 -2.03 0.02 0.00 -0.02 0.00 0.00 31.44 29.71 1aro n GLU 1062CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1aro n MET 1063N -5.30 2.54 -4.40 3.49 2.81 -1.26 -4.92 117.12 110.07 1aro n MET 1063Ca 0.18 -2.92 -0.20 0.00 -1.81 0.00 0.00 57.70 52.95 1aro n MET 1063Cb 0.57 -2.17 -0.15 0.00 -0.71 0.00 0.00 33.22 30.76 1aro n MET 1063CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1aro s ALA 1064N -3.07 0.85 -0.32 3.04 0.00 -0.63 -3.58 121.76 118.06 1aro s ALA 1064Ca 0.54 -0.37 -0.40 0.00 0.00 0.00 0.00 51.96 51.73 1aro s ALA 1064Cb 0.41 -0.28 -0.16 0.00 0.00 0.00 0.00 23.12 23.10 1aro s ALA 1064CO -0.25 0.16 1.82 0.28 0.00 0.00 0.00 175.76 177.77 1aro n VAL 1065N 3.12 0.26 -2.62 0.00 0.31 -1.06 -4.83 118.33 113.51 1aro n VAL 1065Ca -0.16 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1aro n VAL 1065Cb 0.55 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1aro n VAL 1065CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aro n GLY 1066N 4.66 2.85 2.41 2.92 0.00 -1.21 -4.86 105.19 111.97 1aro n GLY 1066Ca 0.30 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.97 1aro n GLY 1066CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aro s SER 1067N -0.75 1.75 0.24 1.61 0.15 -0.83 -4.80 113.70 111.07 1aro s SER 1067Ca 0.00 -2.83 0.00 0.00 0.70 0.00 0.00 55.95 53.82 1aro s SER 1067Cb 0.00 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1aro s SER 1067CO 0.00 -0.20 0.00 0.00 1.20 0.00 0.00 173.24 174.24 1aro n HIS 1068N 3.15 -2.00 -3.93 3.44 -0.00 -1.22 -4.18 115.22 110.47 1aro n HIS 1068Ca 0.25 0.35 -0.35 0.00 -0.00 0.00 0.00 57.72 57.98 1aro n HIS 1068Cb 0.45 0.48 -0.14 0.00 -0.00 0.00 0.00 29.99 30.78 1aro n HIS 1068CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1aro s ALA 1069N -2.00 2.76 0.08 1.59 0.00 -1.26 -5.06 121.76 117.86 1aro s ALA 1069Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.07 1aro s ALA 1069Cb 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 1aro s ALA 1069CO 0.00 -1.01 0.99 0.15 0.00 0.00 0.00 175.76 175.89 1aro s LYS 1070N 1.30 4.63 0.00 0.00 1.02 -1.26 -1.29 119.74 124.13 1aro s LYS 1070Ca -0.02 1.48 0.00 0.00 0.02 0.00 0.00 55.97 57.45 1aro s LYS 1070Cb -0.18 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 1aro s LYS 1070CO -0.03 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1aro n GLY 1071N 2.50 0.75 0.00 -3.33 0.00 -1.26 -4.81 105.19 99.04 1aro n GLY 1071Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1aro n GLY 1071CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aro n TYR 1072N -2.46 0.00 0.10 1.61 4.01 -0.94 -4.88 117.16 114.61 1aro n TYR 1072Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.81 1aro n TYR 1072Cb 0.00 0.00 0.53 0.00 -0.31 0.00 0.00 39.34 39.56 1aro n TYR 1072CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1aro h ASN 1073N 0.00 0.26 0.28 7.72 2.35 -1.50 -2.00 115.58 122.68 1aro h ASN 1073Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1aro h ASN 1073Cb 0.06 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1aro h ASN 1073CO 0.00 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 175.96 1aro n HIS 1074N -4.50 0.00 -2.75 1.19 1.44 -1.26 -3.35 115.22 105.99 1aro n HIS 1074Ca 0.01 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.63 1aro n HIS 1074Cb 0.11 -0.40 0.08 0.00 0.12 0.00 0.00 29.99 29.90 1aro n HIS 1074CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1aro n ASN 1075N -1.40 -2.25 -3.62 4.39 6.94 -0.75 -4.35 115.26 114.20 1aro n ASN 1075Ca 0.04 -3.67 -0.02 0.00 -0.02 0.00 0.00 54.58 50.90 1aro n ASN 1075Cb 0.10 1.84 -0.02 0.00 -2.36 0.00 0.00 39.78 39.34 1aro n ASN 1075CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1aro s SER 1076N -1.33 -0.05 -0.18 0.53 1.04 -1.24 -2.46 113.70 110.01 1aro s SER 1076Ca 0.23 -0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.59 1aro s SER 1076Cb 0.29 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1aro s SER 1076CO -0.06 -0.10 0.06 -0.63 0.98 0.00 0.00 173.24 173.49 1aro s ILE 1077N -2.17 4.75 -0.09 -1.02 1.01 -1.07 -4.76 121.20 117.84 1aro s ILE 1077Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1aro s ILE 1077Cb -0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1aro s ILE 1077CO -0.03 0.47 0.01 -0.83 0.00 0.00 0.00 174.94 174.56 1aro s GLY 1078N 0.28 1.87 -0.16 6.18 0.00 -1.26 -0.72 107.32 113.51 1aro s GLY 1078Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1aro s GLY 1078CO 0.00 -0.51 -0.12 0.14 0.00 0.00 0.00 173.10 172.61 1aro s VAL 1079N -0.80 1.52 -0.22 1.40 1.01 0.43 -2.17 120.40 121.56 1aro s VAL 1079Ca 0.12 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1aro s VAL 1079Cb -0.12 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1aro s VAL 1079CO 0.02 0.36 0.18 0.00 0.00 0.00 0.00 175.10 175.67 1aro s LEU 1081N 0.85 4.06 0.08 0.00 1.43 -1.12 -1.55 118.68 122.42 1aro s LEU 1081Ca 0.09 0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 53.32 1aro s LEU 1081Cb -0.13 -2.59 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 1aro s LEU 1081CO 0.03 -0.26 1.66 -0.69 0.23 0.00 0.00 176.35 177.32 1aro s VAL 1082N 2.24 2.98 0.00 -1.59 1.01 -0.76 -3.38 120.40 120.90 1aro s VAL 1082Ca 0.19 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1aro s VAL 1082Cb -0.16 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1aro s VAL 1082CO 0.09 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1aro n GLY 1083N 4.01 2.03 0.00 4.51 0.00 -1.26 -4.57 105.19 109.91 1aro n GLY 1083Ca 0.16 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1aro n GLY 1083CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aro n GLY 1084N 1.09 -0.42 2.82 -0.02 0.00 -1.16 -4.08 105.19 103.43 1aro n GLY 1084Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1aro n GLY 1084CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aro s ILE 1085N -0.31 -0.05 0.72 -0.61 1.01 -1.15 -2.87 121.20 117.93 1aro s ILE 1085Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.70 1aro s ILE 1085Cb 0.00 -0.12 0.03 0.00 0.01 0.00 0.00 42.46 42.38 1aro s ILE 1085CO 0.00 0.08 1.13 -0.62 0.00 0.00 0.00 174.94 175.53 1aro s ASP 1086N 0.99 4.62 -0.92 3.58 -1.08 -0.88 -4.08 116.67 118.91 1aro s ASP 1086Ca -0.08 2.06 -0.24 0.00 -0.52 0.00 0.00 52.55 53.77 1aro s ASP 1086Cb -0.11 -2.56 -0.20 0.00 -1.46 0.00 0.00 42.92 38.59 1aro s ASP 1086CO -0.03 -1.96 2.10 0.47 0.52 0.00 0.00 175.17 176.27 1aro n ASP 1087N -2.83 1.07 -2.13 -0.34 9.92 -1.26 -3.19 116.55 117.80 1aro n ASP 1087Ca 0.11 -2.09 -0.01 0.00 -0.53 0.00 0.00 54.79 52.27 1aro n ASP 1087Cb 0.52 -1.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.41 1aro n ASP 1087CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1aro n LYS 1088N 7.92 -1.63 0.00 -1.24 4.01 -1.26 -5.04 118.16 120.91 1aro n LYS 1088Ca 0.40 1.58 0.00 0.00 -0.51 0.00 0.00 58.31 59.78 1aro n LYS 1088Cb 0.45 -3.31 0.00 0.00 -0.51 0.00 0.00 35.03 31.66 1aro n LYS 1088CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aro n GLY 1089N 0.17 -0.60 0.00 0.72 0.00 -1.19 -5.18 105.19 99.11 1aro n GLY 1089Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1aro n GLY 1089CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aro n LYS 1090N 0.00 1.43 -1.57 1.61 4.76 -1.26 -4.77 118.16 118.36 1aro n LYS 1090Ca 0.00 0.00 -0.50 0.00 -2.87 0.00 0.00 58.31 54.94 1aro n LYS 1090Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 1aro n LYS 1090CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1aro n PHE 1091N 0.00 1.25 -3.31 2.13 1.16 -1.26 -2.06 117.46 115.36 1aro n PHE 1091Ca 0.00 0.70 -0.08 0.00 -1.87 0.00 0.00 57.45 56.20 1aro n PHE 1091Cb 0.00 -2.27 -0.06 0.00 -1.61 0.00 0.00 39.48 35.54 1aro n PHE 1091CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1aro s ASP 1092N 0.06 0.20 0.00 5.98 2.15 -1.14 -4.80 116.67 119.13 1aro s ASP 1092Ca 0.76 -0.06 -0.14 0.00 0.43 0.00 0.00 52.55 53.54 1aro s ASP 1092Cb -0.90 1.18 -0.18 0.00 -0.30 0.00 0.00 42.92 42.73 1aro s ASP 1092CO 0.51 -0.33 1.11 0.00 -0.17 0.00 0.00 175.17 176.30 1aro n ALA 1093N 5.36 0.69 -0.74 3.66 0.00 -1.26 -4.24 120.51 123.99 1aro n ALA 1093Ca -0.01 -1.32 0.03 0.00 0.00 0.00 0.00 53.44 52.14 1aro n ALA 1093Cb 0.50 -2.51 0.35 0.00 0.00 0.00 0.00 19.45 17.79 1aro n ALA 1093CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1aro n ASN 1094N 6.43 5.12 -4.75 0.00 0.23 -1.26 -4.82 115.26 116.19 1aro n ASN 1094Ca 0.22 -2.90 -0.39 0.00 -0.53 0.00 0.00 54.58 50.98 1aro n ASN 1094Cb 0.23 -0.68 0.04 0.00 -2.08 0.00 0.00 39.78 37.28 1aro n ASN 1094CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1aro s PHE 1095N -2.63 2.28 0.46 -2.53 0.08 -1.26 -4.96 117.98 109.42 1aro s PHE 1095Ca 0.49 1.34 -0.23 0.00 0.12 0.00 0.00 56.93 58.65 1aro s PHE 1095Cb 0.38 -3.86 -0.07 0.00 -0.57 0.00 0.00 43.02 38.90 1aro s PHE 1095CO 0.14 -3.01 1.14 0.99 -0.10 0.00 0.00 175.22 174.38 1aro s THR 1096N -1.27 3.22 0.39 0.64 2.01 -1.26 -4.91 115.64 114.46 1aro s THR 1096Ca 0.70 0.89 0.21 0.00 0.31 0.00 0.00 61.69 63.80 1aro s THR 1096Cb -0.42 -3.44 0.22 0.00 0.01 0.00 0.00 72.50 68.87 1aro s THR 1096CO 0.51 -0.04 1.99 -0.65 -0.69 0.00 0.00 174.62 175.74 1aro h PRO 1097N 1.98 0.00 0.00 4.92 0.11 -1.95 0.43 132.00 137.50 1aro h PRO 1097Ca -0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1aro h PRO 1097Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1aro h PRO 1097CO 0.60 0.19 -0.25 0.00 -0.21 0.00 0.00 178.00 178.33 1aro h ALA 1098N 1.81 0.92 0.00 -0.75 0.00 -1.91 -2.62 119.26 116.70 1aro h ALA 1098Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1aro h ALA 1098Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1aro h ALA 1098CO 0.03 0.32 -0.65 0.37 0.00 0.00 0.00 179.25 179.32 1aro h GLN 1099N 0.00 0.00 0.00 0.00 4.15 -1.25 -3.24 115.11 114.77 1aro h GLN 1099Ca -0.00 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.22 1aro h GLN 1099Cb 0.95 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.61 1aro h GLN 1099CO 0.03 0.00 -1.36 0.52 -1.93 0.00 0.00 178.83 176.09 1aro h MET 1100N 0.00 0.00 -0.14 1.69 2.86 -0.70 -3.12 114.93 115.51 1aro h MET 1100Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 1aro h MET 1100Cb 0.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1aro h MET 1100CO 0.00 0.42 -0.56 1.96 1.06 0.00 0.00 176.91 179.79 1aro h GLN 1101N 0.00 0.43 -0.13 1.72 4.20 -1.59 -1.49 115.11 118.26 1aro h GLN 1101Ca -0.17 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 1aro h GLN 1101Cb 1.70 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 1aro h GLN 1101CO 0.06 0.88 0.05 0.77 -0.67 0.00 0.00 178.83 179.92 1aro h SER 1102N 0.33 0.17 -0.39 1.46 0.02 -1.64 -1.96 113.55 111.55 1aro h SER 1102Ca 0.00 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1aro h SER 1102Cb 1.08 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1aro h SER 1102CO 0.10 0.27 0.18 0.25 -1.14 0.00 0.00 176.83 176.49 1aro h LEU 1103N 0.06 0.56 0.87 5.07 5.85 -1.46 -2.28 115.31 123.98 1aro h LEU 1103Ca 0.04 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1aro h LEU 1103Cb 0.15 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1aro h LEU 1103CO -0.00 0.51 -0.47 -0.09 -0.34 0.00 0.00 178.44 178.04 1aro h ARG 1104N 0.62 -1.19 -0.57 1.25 9.65 -0.61 -0.91 114.38 122.61 1aro h ARG 1104Ca 0.15 0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.10 1aro h ARG 1104Cb 0.12 0.27 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 1aro h ARG 1104CO -0.02 -0.80 0.32 0.66 2.80 0.00 0.00 179.97 182.94 1aro h SER 1105N -1.24 0.71 0.14 -3.80 4.64 -1.35 -1.74 113.55 110.91 1aro h SER 1105Ca -0.12 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.14 1aro h SER 1105Cb 0.97 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 1aro h SER 1105CO 0.16 0.58 -0.37 0.25 -0.87 0.00 0.00 176.83 176.59 1aro h LEU 1106N 0.77 -1.06 -0.62 5.97 5.85 -1.39 -2.01 115.31 122.82 1aro h LEU 1106Ca 0.20 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.16 1aro h LEU 1106Cb 0.03 0.40 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 1aro h LEU 1106CO -0.03 -0.45 0.13 -0.07 -0.34 0.00 0.00 178.44 177.67 1aro h LEU 1107N -0.61 -0.01 0.39 2.25 3.38 -0.92 -0.43 115.31 119.35 1aro h LEU 1107Ca 0.02 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1aro h LEU 1107Cb 0.63 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1aro h LEU 1107CO -0.20 -0.00 -0.28 0.58 0.09 0.00 0.00 178.44 178.62 1aro h VAL 1108N 0.25 0.41 -0.39 1.22 2.07 -1.03 -0.66 116.25 118.12 1aro h VAL 1108Ca 0.33 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.89 1aro h VAL 1108Cb 0.50 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1aro h VAL 1108CO -0.43 0.00 -0.39 0.74 0.02 0.00 0.00 177.57 177.52 1aro h THR 1109N -0.66 0.00 -0.47 2.57 2.02 -0.72 -1.09 112.91 114.56 1aro h THR 1109Ca -0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.23 1aro h THR 1109Cb 0.56 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.90 1aro h THR 1109CO 0.01 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.88 1aro h LEU 1110N -0.20 -0.09 -2.23 2.58 3.38 -1.01 -0.34 115.31 117.42 1aro h LEU 1110Ca 0.07 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1aro h LEU 1110Cb 0.37 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1aro h LEU 1110CO -0.47 -0.01 0.00 -0.07 0.09 0.00 0.00 178.44 177.97 1aro h LEU 1111N 0.17 0.00 0.16 1.67 3.38 -0.59 -2.05 115.31 118.06 1aro h LEU 1111Ca 0.23 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.85 1aro h LEU 1111Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1aro h LEU 1111CO -0.34 0.00 -1.85 0.00 0.09 0.00 0.00 178.44 176.33 1aro h ALA 1112N 2.01 0.26 0.00 1.53 0.00 -0.27 -3.35 119.26 119.43 1aro h ALA 1112Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.67 1aro h ALA 1112Cb 0.24 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1aro h ALA 1112CO 0.00 1.14 0.00 1.17 0.00 0.00 0.00 179.25 181.56 1aro n LYS 1113N -3.55 0.98 -2.67 0.00 4.81 -0.23 -3.89 118.16 113.61 1aro n LYS 1113Ca -0.28 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.06 1aro n LYS 1113Cb 1.07 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 34.64 1aro n LYS 1113CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1aro n TYR 1114N -1.00 1.24 -0.53 5.64 4.02 -0.80 -5.05 117.16 120.67 1aro n TYR 1114Ca 0.24 -2.84 -0.23 0.00 -0.01 0.00 0.00 57.90 55.05 1aro n TYR 1114Cb 0.11 -0.37 -0.04 0.00 -0.02 0.00 0.00 39.34 39.02 1aro n TYR 1114CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1aro n GLU 1115N -0.07 0.00 0.00 -0.72 1.02 -1.25 0.34 120.64 119.96 1aro n GLU 1115Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1aro n GLU 1115Cb 0.81 -0.55 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1aro n GLU 1115CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aro n GLY 1116N 2.20 1.78 3.65 0.62 0.00 -1.26 -5.06 105.19 107.12 1aro n GLY 1116Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1aro n GLY 1116CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aro n ALA 1117N -0.11 0.57 -2.56 4.61 0.00 0.15 -4.94 120.51 118.22 1aro n ALA 1117Ca 0.00 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.49 1aro n ALA 1117Cb 0.00 -2.15 -0.13 0.00 0.00 0.00 0.00 19.45 17.17 1aro n ALA 1117CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1aro s VAL 1118N -0.90 3.28 -0.14 0.00 1.01 -0.10 -4.94 120.40 118.62 1aro s VAL 1118Ca 0.59 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.66 1aro s VAL 1118Cb -0.65 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1aro s VAL 1118CO 0.59 0.59 0.92 -0.22 0.00 0.00 0.00 175.10 176.97 1aro s LEU 1119N -0.66 4.21 0.00 3.92 2.96 -1.26 -0.88 118.68 126.97 1aro s LEU 1119Ca 0.10 1.35 0.01 0.00 -0.22 0.00 0.00 54.13 55.37 1aro s LEU 1119Cb -0.11 -3.39 -0.00 0.00 0.50 0.00 0.00 46.19 43.18 1aro s LEU 1119CO 0.01 -0.42 0.04 0.54 -1.32 0.00 0.00 176.35 175.21 1aro n ARG 1120N 5.10 0.82 -3.79 1.98 1.74 -0.75 -4.92 116.66 116.83 1aro n ARG 1120Ca 0.06 -0.98 -0.13 0.00 -0.77 0.00 0.00 57.85 56.04 1aro n ARG 1120Cb 0.49 0.54 -0.12 0.00 -1.02 0.00 0.00 32.46 32.35 1aro n ARG 1120CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aro s ALA 1121N -2.32 -0.59 0.35 7.54 0.00 -1.26 -3.37 121.76 122.11 1aro s ALA 1121Ca 0.06 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1aro s ALA 1121Cb 0.00 -0.39 0.62 0.00 0.00 0.00 0.00 23.12 23.35 1aro s ALA 1121CO 0.04 -0.11 1.98 1.25 0.00 0.00 0.00 175.76 178.92 1aro h HIS 1122N 5.79 0.76 0.00 0.00 2.76 -1.59 -0.81 115.15 122.07 1aro h HIS 1122Ca -0.26 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 1aro h HIS 1122Cb 1.19 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.90 1aro h HIS 1122CO 0.40 0.52 0.00 -2.39 -1.30 0.00 0.00 177.93 175.16 1aro n HIS 1123N -4.41 0.00 -0.00 5.26 1.44 0.41 -1.08 115.22 116.85 1aro n HIS 1123Ca 0.05 -0.32 0.00 0.00 -2.01 0.00 0.00 57.72 55.45 1aro n HIS 1123Cb 0.08 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.00 1aro n HIS 1123CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1aro n GLU 1124N 0.52 1.65 -0.01 -1.40 2.13 -0.31 -4.62 120.64 118.60 1aro n GLU 1124Ca 0.00 -0.33 0.00 0.00 0.66 0.00 0.00 57.16 57.49 1aro n GLU 1124Cb 0.35 -0.83 0.00 0.00 0.27 0.00 0.00 31.44 31.23 1aro n GLU 1124CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1aro n VAL 1125N -0.33 0.00 -3.83 6.31 0.31 -0.71 -5.02 118.33 115.06 1aro n VAL 1125Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1aro n VAL 1125Cb 0.00 0.35 -0.13 0.00 -0.91 0.00 0.00 33.84 33.16 1aro n VAL 1125CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aro s ALA 1126N 0.00 -0.32 -1.60 3.52 0.00 -0.24 -5.01 121.76 118.11 1aro s ALA 1126Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1aro s ALA 1126Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1aro s ALA 1126CO 0.00 -0.07 0.25 -0.35 0.00 0.00 0.00 175.76 175.59 1aro n PRO 1127N 2.94 0.31 -3.33 0.00 -0.04 -1.26 -4.48 135.00 129.14 1aro n PRO 1127Ca -0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.14 1aro n PRO 1127Cb 0.59 -1.06 -0.01 0.00 -0.04 0.00 0.00 33.50 32.98 1aro n PRO 1127CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1aro s LYS 1128N -1.60 2.62 -0.78 0.54 3.01 -1.26 -5.06 119.74 117.21 1aro s LYS 1128Ca 0.00 -1.46 -0.00 0.00 -1.01 0.00 0.00 55.97 53.50 1aro s LYS 1128Cb 0.00 -2.53 0.36 0.00 -1.01 0.00 0.00 37.83 34.65 1aro s LYS 1128CO 0.00 -0.30 1.78 0.00 0.51 0.00 0.00 175.35 177.35 1aro n ALA 1129N -1.73 6.12 -2.57 5.17 0.00 -1.26 -4.28 120.51 121.96 1aro n ALA 1129Ca 0.06 -4.23 -0.33 0.00 0.00 0.00 0.00 53.44 48.94 1aro n ALA 1129Cb 0.61 -1.68 -0.11 0.00 0.00 0.00 0.00 19.45 18.27 1aro n ALA 1129CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aro n PRO 1131N 1.93 0.77 -0.22 0.00 -0.04 -1.23 0.16 135.00 136.36 1aro n PRO 1131Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1aro n PRO 1131Cb 0.53 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1aro n PRO 1131CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1aro n SER 1132N -0.78 0.00 -4.28 3.54 3.41 -0.29 -4.61 113.62 110.60 1aro n SER 1132Ca 0.11 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.54 1aro n SER 1132Cb 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 1aro n SER 1132CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1aro s PHE 1133N -2.80 1.49 -0.34 7.33 -0.12 -1.19 -1.60 117.98 120.76 1aro s PHE 1133Ca 0.00 -0.61 -0.28 0.00 -0.05 0.00 0.00 56.93 55.99 1aro s PHE 1133Cb 0.00 -0.74 -0.01 0.00 -0.63 0.00 0.00 43.02 41.64 1aro s PHE 1133CO 0.00 0.21 1.71 0.34 -0.05 0.00 0.00 175.22 177.43 1aro s ASP 1134N -2.94 6.01 -0.02 1.98 -1.08 -1.09 -4.77 116.67 114.76 1aro s ASP 1134Ca 0.16 1.23 -0.09 0.00 -0.52 0.00 0.00 52.55 53.33 1aro s ASP 1134Cb -0.02 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.87 1aro s ASP 1134CO 0.04 -1.63 0.51 0.25 0.52 0.00 0.00 175.17 174.86 1aro h LEU 1135N 13.25 -0.26 -0.99 -1.34 5.85 0.60 -3.13 115.31 129.28 1aro h LEU 1135Ca -0.33 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1aro h LEU 1135Cb 1.15 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1aro h LEU 1135CO 1.04 -0.00 0.73 0.50 -0.34 0.00 0.00 178.44 180.37 1aro h LYS 1136N -0.67 0.00 0.11 1.25 3.64 -1.88 1.13 116.57 120.14 1aro h LYS 1136Ca -0.03 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.11 1aro h LYS 1136Cb 0.24 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1aro h LYS 1136CO 0.05 0.00 -1.20 -0.09 -2.27 0.00 0.00 179.45 175.94 1aro h ARG 1137N 0.00 0.22 -0.38 1.90 9.65 -1.86 -2.55 114.38 121.35 1aro h ARG 1137Ca 0.06 -0.38 -0.05 0.00 -1.10 0.00 0.00 59.98 58.51 1aro h ARG 1137Cb 1.53 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 30.24 1aro h ARG 1137CO -0.00 1.18 0.01 2.35 2.80 0.00 0.00 179.97 186.31 1aro h TRP 1138N -0.41 0.63 0.33 2.20 7.01 0.12 0.18 115.95 126.02 1aro h TRP 1138Ca -0.26 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 60.66 1aro h TRP 1138Cb 1.66 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 28.55 1aro h TRP 1138CO 0.15 0.60 -0.16 2.35 -2.79 0.00 0.00 178.44 178.58 1aro h TRP 1139N 0.57 -0.41 0.00 2.65 2.91 -0.48 -3.33 115.95 117.86 1aro h TRP 1139Ca 0.12 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.09 1aro h TRP 1139Cb 0.35 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1aro h TRP 1139CO 0.01 -0.08 -0.20 0.93 -1.03 0.00 0.00 178.44 178.07 1aro h GLU 1140N -0.94 0.00 -4.16 2.65 5.08 -1.41 -3.42 114.58 112.37 1aro h GLU 1140Ca -0.05 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.00 1aro h GLU 1140Cb 0.52 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.47 1aro h GLU 1140CO 0.07 0.20 -0.75 0.15 -1.00 0.00 0.00 179.01 177.68 1aro s LYS 1141N -3.58 0.38 0.00 2.33 1.02 0.64 -5.00 119.74 115.52 1aro s LYS 1141Ca 0.01 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.87 1aro s LYS 1141Cb 0.10 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.02 1aro s LYS 1141CO 0.63 0.06 0.37 -1.71 -0.92 0.00 0.00 175.35 173.78 1aro n ASN 1142N 3.15 0.32 -4.61 2.83 5.15 -1.25 -3.56 115.26 117.28 1aro n ASN 1142Ca -0.15 -1.06 -0.43 0.00 -0.60 0.00 0.00 54.58 52.35 1aro n ASN 1142Cb 0.57 -0.16 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 1aro n ASN 1142CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1aro s GLU 1143N -1.40 3.82 -0.46 1.20 2.02 -1.26 -4.96 118.70 117.67 1aro s GLU 1143Ca 0.00 0.85 -0.16 0.00 0.02 0.00 0.00 54.97 55.67 1aro s GLU 1143Cb 0.00 -3.87 0.05 0.00 0.10 0.00 0.00 34.13 30.41 1aro s GLU 1143CO 0.00 -1.24 0.41 -1.17 0.02 0.00 0.00 175.26 173.28 1aro s LEU 1144N 4.37 5.30 -0.00 1.80 2.96 -1.26 -2.93 118.68 128.91 1aro s LEU 1144Ca 0.50 -1.07 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 1aro s LEU 1144Cb -0.11 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 1aro s LEU 1144CO 0.26 -0.63 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.73 1aro s VAL 1145N 1.87 1.98 0.48 1.68 1.01 -1.26 -5.06 120.40 121.10 1aro s VAL 1145Ca 0.07 -1.14 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 1aro s VAL 1145Cb -0.21 -1.66 -0.07 0.00 0.00 0.00 0.00 36.38 34.44 1aro s VAL 1145CO 0.09 0.49 1.24 -0.89 0.00 0.00 0.00 175.10 176.04 1aro s THR 1146N -0.64 2.70 -1.92 3.92 2.01 -1.26 -2.67 115.64 117.78 1aro s THR 1146Ca 0.10 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1aro s THR 1146Cb -0.10 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1aro s THR 1146CO -0.00 0.00 0.00 -0.24 -0.69 0.00 0.00 174.62 173.69 1aro n SER 1147N -0.61 0.00 -0.57 3.53 2.88 -0.63 -4.69 113.62 113.52 1aro n SER 1147Ca 0.08 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.64 1aro n SER 1147Cb 0.47 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1aro n SER 1147CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1aro n ASP 1148N 1.15 0.56 -4.14 -3.46 2.03 -1.26 -3.14 116.55 108.30 1aro n ASP 1148Ca 0.00 -2.23 -0.16 0.00 0.52 0.00 0.00 54.79 52.92 1aro n ASP 1148Cb 0.00 -0.26 -0.12 0.00 -0.72 0.00 0.00 41.12 40.02 1aro n ASP 1148CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1aro s ARG 1149N -0.56 0.75 0.00 -0.67 3.52 -1.26 -4.90 118.95 115.83 1aro s ARG 1149Ca 0.11 -0.95 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 1aro s ARG 1149Cb 0.11 -0.62 0.00 0.00 -1.56 0.00 0.00 34.95 32.88 1aro s ARG 1149CO -0.02 0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.00