#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aws s ASN 1003N 0.00 6.36 0.61 -1.34 -0.87 -1.26 -4.92 114.94 113.52 1aws s ASN 1003Ca 0.00 -0.29 -0.18 0.00 -1.57 0.00 0.00 52.86 50.82 1aws s ASN 1003Cb 0.00 -2.38 -0.07 0.00 -0.02 0.00 0.00 41.25 38.78 1aws s ASN 1003CO 0.00 -0.98 0.59 -2.65 -2.57 0.00 0.00 177.10 171.48 1aws n PRO 1004N 6.81 0.51 -3.80 -0.60 -0.02 -1.24 -4.69 135.00 131.98 1aws n PRO 1004Ca 0.01 0.21 -0.25 0.00 -2.02 0.00 0.00 63.50 61.44 1aws n PRO 1004Cb 0.48 -1.80 -0.17 0.00 -0.02 0.00 0.00 33.50 31.98 1aws n PRO 1004CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1aws s THR 1005N -1.74 0.58 0.38 3.45 2.01 -1.26 -0.48 115.64 118.59 1aws s THR 1005Ca 0.69 -0.14 0.08 0.00 0.31 0.00 0.00 61.69 62.63 1aws s THR 1005Cb -0.42 -0.78 -0.06 0.00 0.01 0.00 0.00 72.50 71.26 1aws s THR 1005CO 0.54 0.18 0.10 0.68 -0.69 0.00 0.00 174.62 175.43 1aws s VAL 1006N 1.88 2.43 0.10 3.82 -7.23 -0.90 -1.71 120.40 118.79 1aws s VAL 1006Ca 0.04 -1.83 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 1aws s VAL 1006Cb -0.13 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.86 1aws s VAL 1006CO -0.07 -0.08 0.16 0.72 -0.31 0.00 0.00 175.10 175.52 1aws s PHE 1007N -2.57 0.34 -0.03 2.82 -0.71 -0.82 -0.07 117.98 116.93 1aws s PHE 1007Ca 0.38 -0.77 0.02 0.00 -1.04 0.00 0.00 56.93 55.52 1aws s PHE 1007Cb 0.03 -0.16 0.01 0.00 -1.21 0.00 0.00 43.02 41.69 1aws s PHE 1007CO 0.21 -0.56 -0.09 -0.06 -1.34 0.00 0.00 175.22 173.38 1aws s PHE 1008N -3.91 1.04 -0.50 3.49 0.08 0.52 -3.15 117.98 115.55 1aws s PHE 1008Ca 0.10 -0.29 -0.10 0.00 0.12 0.00 0.00 56.93 56.76 1aws s PHE 1008Cb 0.05 -0.76 0.12 0.00 -0.57 0.00 0.00 43.02 41.87 1aws s PHE 1008CO -0.07 -0.14 0.39 -0.51 -0.10 0.00 0.00 175.22 174.79 1aws s ASP 1009N 0.32 5.81 0.10 1.36 1.01 0.10 -0.85 116.67 124.52 1aws s ASP 1009Ca -0.06 -1.93 -0.26 0.00 0.71 0.00 0.00 52.55 51.01 1aws s ASP 1009Cb -0.10 -2.05 -0.06 0.00 1.01 0.00 0.00 42.92 41.71 1aws s ASP 1009CO 0.01 -0.71 0.80 -0.63 0.21 0.00 0.00 175.17 174.85 1aws s ILE 1010N 1.34 4.55 0.12 0.77 -1.09 -0.28 0.32 121.20 126.93 1aws s ILE 1010Ca 0.06 1.73 0.09 0.00 -2.23 0.00 0.00 60.65 60.30 1aws s ILE 1010Cb -0.26 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 1aws s ILE 1010CO -0.00 0.42 -0.22 0.00 -1.23 0.00 0.00 174.94 173.90 1aws s ALA 1011N -0.46 1.98 -0.38 9.38 0.00 -0.86 -0.61 121.76 130.81 1aws s ALA 1011Ca 0.39 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1aws s ALA 1011Cb -0.22 -0.27 0.11 0.00 0.00 0.00 0.00 23.12 22.73 1aws s ALA 1011CO 0.25 0.40 0.12 0.08 0.00 0.00 0.00 175.76 176.61 1aws s VAL 1012N -1.22 2.61 -0.98 0.00 1.01 -0.81 -1.94 120.40 119.06 1aws s VAL 1012Ca 0.09 -2.37 -0.05 0.00 0.00 0.00 0.00 61.98 59.65 1aws s VAL 1012Cb -0.10 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1aws s VAL 1012CO 0.05 -0.65 0.87 0.47 0.00 0.00 0.00 175.10 175.84 1aws n ASP 1013N 4.22 -6.88 0.00 3.32 8.00 0.05 -3.29 116.55 121.98 1aws n ASP 1013Ca 0.03 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1aws n ASP 1013Cb 0.41 -5.18 0.00 0.00 -0.02 0.00 0.00 41.12 36.33 1aws n ASP 1013CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aws n GLY 1014N -1.37 0.85 3.60 0.44 0.00 -1.26 -4.93 105.19 102.52 1aws n GLY 1014Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1aws n GLY 1014CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aws s GLU 1015N 0.00 3.36 0.27 1.61 2.12 -1.21 -4.94 118.70 119.91 1aws s GLU 1015Ca 0.00 1.56 -0.29 0.00 0.36 0.00 0.00 54.97 56.60 1aws s GLU 1015Cb 0.00 -4.21 -0.14 0.00 0.26 0.00 0.00 34.13 30.04 1aws s GLU 1015CO 0.00 -1.83 1.16 -0.35 -0.54 0.00 0.00 175.26 173.70 1aws n PRO 1016N 8.41 1.60 -0.03 4.30 -0.04 -1.26 -1.92 135.00 146.06 1aws n PRO 1016Ca 0.24 0.57 -0.08 0.00 -0.04 0.00 0.00 63.50 64.18 1aws n PRO 1016Cb 0.46 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 1aws n PRO 1016CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1aws n LEU 1017N 1.42 0.65 0.00 1.53 7.94 0.22 -4.83 117.00 123.94 1aws n LEU 1017Ca 0.10 0.11 0.01 0.00 -1.11 0.00 0.00 56.01 55.11 1aws n LEU 1017Cb 0.32 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.01 1aws n LEU 1017CO 0.61 0.06 0.36 0.61 -1.11 0.00 0.00 177.39 177.93 1aws n GLY 1018N 2.56 0.54 3.31 -3.96 0.00 -0.81 -5.02 105.19 101.80 1aws n GLY 1018Ca -0.14 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 1aws n GLY 1018CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1aws s ARG 1019N -2.01 1.63 -0.13 1.61 3.52 -1.26 -1.13 118.95 121.19 1aws s ARG 1019Ca 0.10 -1.05 -0.02 0.00 -0.13 0.00 0.00 55.73 54.63 1aws s ARG 1019Cb -0.00 -1.79 0.04 0.00 -1.56 0.00 0.00 34.95 31.64 1aws s ARG 1019CO -0.00 0.46 0.02 0.08 -0.81 0.00 0.00 175.30 175.05 1aws s VAL 1020N -0.81 0.40 0.28 7.11 1.01 -0.03 -4.30 120.40 124.07 1aws s VAL 1020Ca 0.10 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1aws s VAL 1020Cb -0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1aws s VAL 1020CO 0.02 0.03 0.29 -0.94 0.00 0.00 0.00 175.10 174.50 1aws s SER 1021N 1.94 5.69 0.05 3.32 1.04 -0.66 -0.36 113.70 124.72 1aws s SER 1021Ca 0.02 -0.24 -0.00 0.00 0.48 0.00 0.00 55.95 56.21 1aws s SER 1021Cb -0.14 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.58 1aws s SER 1021CO -0.07 -0.18 -0.04 -0.36 0.98 0.00 0.00 173.24 173.58 1aws s PHE 1022N -2.15 0.56 -0.30 5.02 0.08 0.89 -0.09 117.98 121.99 1aws s PHE 1022Ca 0.37 -0.96 -0.04 0.00 0.12 0.00 0.00 56.93 56.42 1aws s PHE 1022Cb -0.08 -0.39 0.04 0.00 -0.57 0.00 0.00 43.02 42.02 1aws s PHE 1022CO 0.27 -0.31 0.03 -2.00 -0.10 0.00 0.00 175.22 173.11 1aws s GLU 1023N -3.54 2.64 -0.29 0.44 2.12 -0.42 -2.12 118.70 117.53 1aws s GLU 1023Ca 0.05 -1.14 -0.29 0.00 0.36 0.00 0.00 54.97 53.95 1aws s GLU 1023Cb 0.05 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.19 1aws s GLU 1023CO -0.08 -0.57 1.05 -0.51 -0.54 0.00 0.00 175.26 174.61 1aws s LEU 1024N 1.34 3.99 -1.26 2.70 1.43 0.37 -2.92 118.68 124.34 1aws s LEU 1024Ca -0.02 1.14 -0.09 0.00 -1.03 0.00 0.00 54.13 54.12 1aws s LEU 1024Cb -0.19 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.44 1aws s LEU 1024CO 0.00 -0.80 2.47 0.49 0.23 0.00 0.00 176.35 178.74 1aws n PHE 1025N 6.67 2.05 0.30 0.29 3.72 -0.00 -3.69 117.46 126.79 1aws n PHE 1025Ca 0.12 -2.53 0.14 0.00 -0.05 0.00 0.00 57.45 55.13 1aws n PHE 1025Cb 0.47 -2.11 0.65 0.00 -0.94 0.00 0.00 39.48 37.55 1aws n PHE 1025CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aws h ALA 1026N 5.84 1.00 -0.63 4.37 0.00 -1.84 -0.58 119.26 127.43 1aws h ALA 1026Ca 0.66 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.49 1aws h ALA 1026Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1aws h ALA 1026CO 1.67 0.00 0.07 0.38 0.00 0.00 0.00 179.25 181.38 1aws h ASP 1027N 0.00 1.02 0.00 0.00 2.03 -1.92 -3.19 116.42 114.36 1aws h ASP 1027Ca 0.00 -0.25 -0.33 0.00 -0.73 0.00 0.00 57.03 55.72 1aws h ASP 1027Cb 0.22 -0.27 -0.05 0.00 -0.83 0.00 0.00 39.33 38.40 1aws h ASP 1027CO 0.00 1.03 -2.15 0.29 -1.03 0.00 0.00 179.24 177.38 1aws n LYS 1028N -4.21 0.46 -3.31 4.15 5.02 -1.05 -4.79 118.16 114.43 1aws n LYS 1028Ca 0.04 0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 56.17 1aws n LYS 1028Cb 0.30 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1aws n LYS 1028CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1aws n VAL 1029N -3.59 3.33 0.00 -0.18 0.31 -0.25 -4.97 118.33 112.98 1aws n VAL 1029Ca -0.39 -5.44 0.00 0.00 -0.01 0.00 0.00 64.34 58.50 1aws n VAL 1029Cb 0.82 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1aws n VAL 1029CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1aws n PRO 1030N 1.09 0.00 -0.03 5.55 -0.02 -1.20 -0.81 135.00 139.57 1aws n PRO 1030Ca 0.28 0.38 0.24 0.00 -2.02 0.00 0.00 63.50 62.38 1aws n PRO 1030Cb 0.38 -1.18 0.68 0.00 -0.02 0.00 0.00 33.50 33.36 1aws n PRO 1030CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1aws h LYS 1031N 0.00 0.00 0.00 -0.52 3.64 -1.93 0.65 116.57 118.41 1aws h LYS 1031Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1aws h LYS 1031Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1aws h LYS 1031CO 0.00 0.00 -0.57 1.15 -2.27 0.00 0.00 179.45 177.76 1aws h THR 1032N 0.00 1.20 -0.09 1.00 2.02 -1.95 -3.04 112.91 112.04 1aws h THR 1032Ca 0.31 -2.11 -0.00 0.00 0.77 0.00 0.00 66.41 65.38 1aws h THR 1032Cb 1.66 2.47 -0.00 0.00 -1.74 0.00 0.00 68.15 70.53 1aws h THR 1032CO -0.00 0.41 0.05 0.00 0.37 0.00 0.00 175.52 176.34 1aws h ALA 1033N -0.34 0.12 -0.53 6.16 0.00 0.18 -1.68 119.26 123.17 1aws h ALA 1033Ca -0.15 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1aws h ALA 1033Cb 1.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1aws h ALA 1033CO -0.09 -0.34 0.36 1.49 0.00 0.00 0.00 179.25 180.66 1aws h GLU 1034N 0.05 0.36 0.16 0.00 4.81 0.09 -1.98 114.58 118.07 1aws h GLU 1034Ca 0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1aws h GLU 1034Cb 0.08 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1aws h GLU 1034CO -0.00 0.24 -0.08 -0.97 -0.73 0.00 0.00 179.01 177.47 1aws h ASN 1035N 0.37 -0.19 -0.34 1.04 -1.24 -1.26 -2.94 115.58 111.02 1aws h ASN 1035Ca 0.24 -0.24 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1aws h ASN 1035Cb 0.45 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1aws h ASN 1035CO -0.06 0.15 0.09 0.15 -1.29 0.00 0.00 177.43 176.47 1aws h PHE 1036N -0.54 0.63 0.25 0.67 3.57 -0.69 -3.02 116.94 117.81 1aws h PHE 1036Ca -0.02 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1aws h PHE 1036Cb 0.41 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1aws h PHE 1036CO 0.03 0.55 -0.12 -0.09 -2.23 0.00 0.00 178.31 176.45 1aws h ARG 1037N 0.60 -0.33 0.00 1.11 2.43 -1.43 -1.54 114.38 115.23 1aws h ARG 1037Ca 0.14 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1aws h ARG 1037Cb 0.25 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1aws h ARG 1037CO -0.00 -0.06 0.00 0.00 -1.51 0.00 0.00 179.97 178.40 1aws n ALA 1038N -2.37 1.24 -0.04 2.80 0.00 -1.11 -1.63 120.51 119.40 1aws n ALA 1038Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1aws n ALA 1038Cb 0.22 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 1aws n ALA 1038CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aws n LEU 1039N -1.44 0.00 0.02 0.00 4.77 -1.16 -2.92 117.00 116.27 1aws n LEU 1039Ca 0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 1aws n LEU 1039Cb 0.04 0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1aws n LEU 1039CO 0.04 0.17 0.48 0.28 -1.33 0.00 0.00 177.39 177.03 1aws h SER 1040N 0.00 0.57 0.18 -1.43 0.02 -0.30 -1.25 113.55 111.33 1aws h SER 1040Ca -0.19 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1aws h SER 1040Cb 1.27 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1aws h SER 1040CO 0.01 1.01 -0.08 0.71 -1.14 0.00 0.00 176.83 177.33 1aws h THR 1041N 0.39 0.00 0.00 -2.27 1.35 -1.61 -3.03 112.91 107.74 1aws h THR 1041Ca 0.01 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1aws h THR 1041Cb 1.09 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1aws h THR 1041CO 0.10 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1aws n GLY 1042N 0.72 0.88 0.00 5.82 0.00 -1.25 -4.70 105.19 106.66 1aws n GLY 1042Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1aws n GLY 1042CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1aws n GLU 1043N 0.00 0.00 0.00 1.61 2.13 -1.15 -1.45 120.64 121.78 1aws n GLU 1043Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1aws n GLU 1043Cb 0.00 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 30.56 1aws n GLU 1043CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1aws n LYS 1044N -0.34 0.00 0.00 5.31 4.01 -1.26 -5.05 118.16 120.83 1aws n LYS 1044Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1aws n LYS 1044Cb 0.00 -0.13 0.00 0.00 -0.51 0.00 0.00 35.03 34.39 1aws n LYS 1044CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aws n GLY 1045N 0.00 1.84 0.00 0.72 0.00 -0.53 -5.00 105.19 102.22 1aws n GLY 1045Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1aws n GLY 1045CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1aws n PHE 1046N -0.28 0.00 -1.00 1.61 -1.74 -1.26 -5.11 117.46 109.68 1aws n PHE 1046Ca 0.00 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.02 1aws n PHE 1046Cb 0.00 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 40.96 1aws n PHE 1046CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1aws n GLY 1047N 2.86 -1.34 0.00 4.97 0.00 -1.26 -4.44 105.19 105.98 1aws n GLY 1047Ca 0.00 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1aws n GLY 1047CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aws n TYR 1048N -3.10 0.00 -2.10 1.61 4.01 -0.47 -4.80 117.16 112.31 1aws n TYR 1048Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1aws n TYR 1048Cb 0.61 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 1aws n TYR 1048CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1aws s LYS 1049N -2.26 4.27 0.00 -0.72 2.20 -1.26 -2.27 119.74 119.69 1aws s LYS 1049Ca 0.33 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 1aws s LYS 1049Cb 0.18 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1aws s LYS 1049CO 0.34 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 1aws n GLY 1050N 3.69 3.14 3.73 5.54 0.00 -0.48 -5.03 105.19 115.77 1aws n GLY 1050Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1aws n GLY 1050CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aws s SER 1051N -0.67 3.62 0.42 1.61 1.04 -0.96 -4.64 113.70 114.11 1aws s SER 1051Ca 0.00 1.53 0.03 0.00 0.48 0.00 0.00 55.95 57.99 1aws s SER 1051Cb 0.00 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 1aws s SER 1051CO 0.00 -2.55 0.09 0.00 0.98 0.00 0.00 173.24 171.75 1aws s PHE 1053N -3.13 3.35 0.28 0.00 0.40 -1.07 -4.19 117.98 113.62 1aws s PHE 1053Ca 0.23 -1.46 0.17 0.00 -0.60 0.00 0.00 56.93 55.26 1aws s PHE 1053Cb 0.04 -3.91 0.75 0.00 0.51 0.00 0.00 43.02 40.42 1aws s PHE 1053CO 0.12 -1.12 1.79 1.12 0.70 0.00 0.00 175.22 177.83 1aws h HIS 1054N 8.57 0.00 -3.31 0.36 2.07 -1.77 -3.41 115.15 117.66 1aws h HIS 1054Ca -0.11 0.00 -0.61 0.00 -2.85 0.00 0.00 60.37 56.80 1aws h HIS 1054Cb 1.07 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 30.65 1aws h HIS 1054CO 0.90 0.37 -0.74 0.50 -3.07 0.00 0.00 177.93 175.90 1aws s ARG 1055N -3.87 1.02 -0.14 5.12 3.52 -1.20 -4.37 118.95 119.03 1aws s ARG 1055Ca -0.01 -1.43 0.00 0.00 -0.13 0.00 0.00 55.73 54.16 1aws s ARG 1055Cb 0.13 -2.42 -0.01 0.00 -1.56 0.00 0.00 34.95 31.09 1aws s ARG 1055CO 0.69 -0.99 -0.15 0.42 -0.81 0.00 0.00 175.30 174.46 1aws s ILE 1056N 1.25 2.76 -0.28 4.11 1.01 -0.77 0.14 121.20 129.43 1aws s ILE 1056Ca 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1aws s ILE 1056Cb -0.19 -2.16 0.08 0.00 0.01 0.00 0.00 42.46 40.21 1aws s ILE 1056CO -0.17 0.52 0.04 -0.63 0.00 0.00 0.00 174.94 174.70 1aws s ILE 1057N 0.61 1.26 -0.31 2.92 1.01 -1.26 -2.74 121.20 122.69 1aws s ILE 1057Ca -0.09 -1.41 -0.40 0.00 0.00 0.00 0.00 60.65 58.75 1aws s ILE 1057Cb -0.16 -1.80 -0.16 0.00 0.01 0.00 0.00 42.46 40.35 1aws s ILE 1057CO 0.03 -0.44 1.78 -2.65 0.00 0.00 0.00 174.94 173.66 1aws n PRO 1058N 4.72 1.06 -0.15 2.79 -0.02 -1.24 -0.97 135.00 141.18 1aws n PRO 1058Ca -0.05 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1aws n PRO 1058Cb 0.43 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1aws n PRO 1058CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aws n GLY 1059N 4.45 0.65 1.05 -1.23 0.00 -1.26 -5.07 105.19 103.77 1aws n GLY 1059Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1aws n GLY 1059CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1aws n PHE 1060N -2.00 0.00 -3.90 1.61 7.35 -0.15 -4.48 117.46 115.89 1aws n PHE 1060Ca 0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 1aws n PHE 1060Cb 0.00 0.03 -0.17 0.00 0.35 0.00 0.00 39.48 39.69 1aws n PHE 1060CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1aws s GLN 1063N 1.54 3.30 0.16 0.00 0.74 0.12 -1.22 119.66 124.30 1aws s GLN 1063Ca -0.02 -0.49 -0.06 0.00 0.05 0.00 0.00 55.36 54.84 1aws s GLN 1063Cb -0.13 -2.82 0.02 0.00 1.10 0.00 0.00 33.01 31.19 1aws s GLN 1063CO -0.03 0.46 0.33 0.41 -0.55 0.00 0.00 175.29 175.90 1aws n GLY 1064N 2.88 1.57 0.00 2.59 0.00 -0.76 -2.38 105.19 109.09 1aws n GLY 1064Ca -0.18 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1aws n GLY 1064CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aws n GLY 1065N -0.22 0.81 3.29 -0.02 0.00 -1.26 -1.34 105.19 106.45 1aws n GLY 1065Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1aws n GLY 1065CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aws s ASP 1066N -1.93 6.40 0.13 1.61 2.15 -1.26 -3.94 116.67 119.83 1aws s ASP 1066Ca 0.00 -2.41 0.14 0.00 0.43 0.00 0.00 52.55 50.71 1aws s ASP 1066Cb 0.00 -2.16 -0.09 0.00 -0.30 0.00 0.00 42.92 40.36 1aws s ASP 1066CO 0.00 -0.64 1.10 2.19 -0.17 0.00 0.00 175.17 177.65 1aws h PHE 1067N 8.06 0.00 0.01 -5.34 -0.00 -1.93 -2.98 116.94 114.76 1aws h PHE 1067Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.93 1aws h PHE 1067Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.00 1aws h PHE 1067CO 0.90 0.68 -0.01 1.79 -0.00 0.00 0.00 178.31 181.67 1aws h THR 1068N 0.00 0.00 0.00 0.88 1.35 -1.95 -3.40 112.91 109.79 1aws h THR 1068Ca -0.10 -0.02 -0.22 0.00 -0.55 0.00 0.00 66.41 65.53 1aws h THR 1068Cb 1.60 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.99 1aws h THR 1068CO 0.07 0.00 -1.18 0.03 -0.25 0.00 0.00 175.52 174.19 1aws h ARG 1069N -0.03 0.00 -1.43 4.72 -0.00 -1.93 -3.48 114.38 112.22 1aws h ARG 1069Ca -0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 59.13 1aws h ARG 1069Cb 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 29.89 1aws h ARG 1069CO 0.00 0.77 -0.36 0.72 0.00 0.00 0.00 179.97 181.10 1aws n HIS 1070N -3.23 -0.31 0.00 3.04 8.25 -1.13 -4.80 115.22 117.05 1aws n HIS 1070Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1aws n HIS 1070Cb 0.95 -3.14 0.00 0.00 1.12 0.00 0.00 29.99 28.92 1aws n HIS 1070CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1aws n ASN 1071N -0.97 1.17 0.00 0.41 0.23 -1.26 -4.77 115.26 110.07 1aws n ASN 1071Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.87 1aws n ASN 1071Cb 0.60 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.37 1aws n ASN 1071CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1aws n GLY 1072N 1.53 0.63 0.25 4.83 0.00 -1.26 -4.90 105.19 106.27 1aws n GLY 1072Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1aws n GLY 1072CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1aws h THR 1073N 0.00 0.00 0.00 2.61 2.02 -1.96 -3.48 112.91 112.10 1aws h THR 1073Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1aws h THR 1073Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1aws h THR 1073CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1aws n GLY 1074N -1.27 1.25 0.44 2.16 0.00 -1.26 -5.10 105.19 101.41 1aws n GLY 1074Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1aws n GLY 1074CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aws n GLY 1075N 4.99 -1.54 3.88 -0.02 0.00 -1.26 -4.68 105.19 106.55 1aws n GLY 1075Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1aws n GLY 1075CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aws s LYS 1076N -2.36 3.77 0.00 1.61 -2.85 -1.26 -3.75 119.74 114.90 1aws s LYS 1076Ca 0.00 0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.17 1aws s LYS 1076Cb 0.00 -2.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.03 1aws s LYS 1076CO 0.00 0.38 0.00 -1.13 0.10 0.00 0.00 175.35 174.70 1aws n SER 1077N 0.06 0.00 0.10 0.03 3.41 -1.21 -4.37 113.62 111.64 1aws n SER 1077Ca -0.01 -0.08 0.10 0.00 -0.26 0.00 0.00 58.87 58.62 1aws n SER 1077Cb 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1aws n SER 1077CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1aws n ILE 1078N -0.11 0.69 -0.90 -1.33 -5.35 -1.26 -4.08 119.36 107.02 1aws n ILE 1078Ca 0.00 -0.57 -0.21 0.00 -0.27 0.00 0.00 62.75 61.70 1aws n ILE 1078Cb 0.00 -0.39 0.07 0.00 -1.74 0.00 0.00 39.64 37.58 1aws n ILE 1078CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1aws n TYR 1079N -2.71 2.09 0.00 4.28 4.01 -1.26 -4.93 117.16 118.65 1aws n TYR 1079Ca -0.01 -2.10 0.00 0.00 -0.16 0.00 0.00 57.90 55.63 1aws n TYR 1079Cb 0.58 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 1aws n TYR 1079CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aws n GLY 1080N -0.21 1.93 2.00 2.72 0.00 -1.26 -4.57 105.19 105.81 1aws n GLY 1080Ca 0.41 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1aws n GLY 1080CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aws n GLU 1081N 0.00 0.00 -4.26 1.61 -0.58 -1.26 -4.46 120.64 111.69 1aws n GLU 1081Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1aws n GLU 1081Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 1aws n GLU 1081CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1aws s LYS 1082N -1.70 1.35 0.08 3.49 -0.14 -1.26 -3.28 119.74 118.28 1aws s LYS 1082Ca 0.00 -1.73 -0.15 0.00 -1.36 0.00 0.00 55.97 52.73 1aws s LYS 1082Cb 0.00 0.05 0.03 0.00 -1.68 0.00 0.00 37.83 36.22 1aws s LYS 1082CO 0.00 -0.38 0.35 -0.59 -0.76 0.00 0.00 175.35 173.97 1aws s PHE 1083N -3.92 -0.14 1.10 3.18 -0.71 -0.31 -4.93 117.98 112.24 1aws s PHE 1083Ca 0.38 -0.09 -0.14 0.00 -1.04 0.00 0.00 56.93 56.05 1aws s PHE 1083Cb 0.07 0.17 0.24 0.00 -1.21 0.00 0.00 43.02 42.28 1aws s PHE 1083CO 0.14 -0.60 1.07 -1.83 -1.34 0.00 0.00 175.22 172.66 1aws s GLU 1084N -3.23 -0.36 -0.39 1.99 1.03 -1.26 -1.70 118.70 114.78 1aws s GLU 1084Ca -0.00 0.46 -0.28 0.00 0.03 0.00 0.00 54.97 55.17 1aws s GLU 1084Cb 0.01 -1.65 0.02 0.00 -0.80 0.00 0.00 34.13 31.71 1aws s GLU 1084CO -0.08 -3.25 1.06 -0.51 -1.33 0.00 0.00 175.26 171.15 1aws s ASP 1085N -3.29 6.76 0.11 0.83 1.01 -1.26 -4.77 116.67 116.06 1aws s ASP 1085Ca 0.67 0.72 -0.33 0.00 0.71 0.00 0.00 52.55 54.32 1aws s ASP 1085Cb -0.19 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.10 1aws s ASP 1085CO 0.59 -1.01 1.57 -0.08 0.21 0.00 0.00 175.17 176.45 1aws h GLU 1086N 8.59 -0.68 0.00 8.23 4.81 -1.99 -3.48 114.58 130.06 1aws h GLU 1086Ca -0.22 0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.27 1aws h GLU 1086Cb 1.06 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1aws h GLU 1086CO 1.06 -0.46 0.57 0.27 -0.73 0.00 0.00 179.01 179.72 1aws n ASN 1087N -5.48 -0.91 -0.63 1.04 0.23 -1.26 -5.05 115.26 103.20 1aws n ASN 1087Ca -0.08 -1.28 0.04 0.00 -0.53 0.00 0.00 54.58 52.74 1aws n ASN 1087Cb 0.40 1.43 0.06 0.00 -2.08 0.00 0.00 39.78 39.59 1aws n ASN 1087CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1aws n PHE 1088N -0.60 0.00 -0.15 -2.53 3.72 -1.26 -4.60 117.46 112.04 1aws n PHE 1088Ca 0.02 -0.53 -0.03 0.00 -0.05 0.00 0.00 57.45 56.86 1aws n PHE 1088Cb 0.40 -0.12 0.05 0.00 -0.94 0.00 0.00 39.48 38.87 1aws n PHE 1088CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1aws h ILE 1089N 4.63 0.67 -3.31 4.37 2.04 -1.96 -3.41 117.51 120.54 1aws h ILE 1089Ca -0.05 -0.05 -0.57 0.00 1.00 0.00 0.00 64.86 65.19 1aws h ILE 1089Cb 1.37 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 1aws h ILE 1089CO 0.02 0.03 -0.01 -0.76 0.00 0.00 0.00 178.15 177.43 1aws s LEU 1090N -10.52 4.41 0.01 1.44 1.43 -1.26 -5.08 118.68 109.11 1aws s LEU 1090Ca -0.13 1.15 0.05 0.00 -1.03 0.00 0.00 54.13 54.17 1aws s LEU 1090Cb 0.15 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 1aws s LEU 1090CO 0.72 0.09 -0.12 -0.54 0.23 0.00 0.00 176.35 176.72 1aws s LYS 1091N -0.12 2.36 0.00 1.70 1.02 -1.26 -4.21 119.74 119.23 1aws s LYS 1091Ca 0.31 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 1aws s LYS 1091Cb -0.18 -2.36 -0.36 0.00 -0.52 0.00 0.00 37.83 34.41 1aws s LYS 1091CO 0.17 0.58 1.55 0.72 -0.92 0.00 0.00 175.35 177.45 1aws n HIS 1092N 1.68 0.00 0.30 3.18 8.25 -1.26 -4.70 115.22 122.67 1aws n HIS 1092Ca -0.16 -0.48 0.18 0.00 -0.26 0.00 0.00 57.72 57.00 1aws n HIS 1092Cb 0.52 -0.74 0.94 0.00 1.12 0.00 0.00 29.99 31.84 1aws n HIS 1092CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1aws h THR 1093N 4.99 0.21 0.00 1.59 1.35 -1.94 -3.17 112.91 115.94 1aws h THR 1093Ca 0.25 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1aws h THR 1093Cb 0.69 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1aws h THR 1093CO 1.99 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 177.90 1aws n GLY 1094N -0.75 -1.57 3.74 5.82 0.00 -1.26 -4.75 105.19 106.42 1aws n GLY 1094Ca -0.02 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1aws n GLY 1094CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aws s PRO 1095N -1.37 4.29 0.00 1.61 0.04 -1.24 -2.96 135.00 135.36 1aws s PRO 1095Ca 0.00 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1aws s PRO 1095Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1aws s PRO 1095CO 0.00 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1aws n GLY 1096N 2.28 1.04 3.63 0.56 0.00 0.14 -4.90 105.19 107.94 1aws n GLY 1096Ca 0.07 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.59 1aws n GLY 1096CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1aws n ILE 1097N -0.05 0.44 -3.32 -0.61 2.08 -1.15 -1.21 119.36 115.54 1aws n ILE 1097Ca 0.00 -0.17 -0.40 0.00 0.56 0.00 0.00 62.75 62.75 1aws n ILE 1097Cb 0.00 -1.82 -0.08 0.00 -0.75 0.00 0.00 39.64 36.99 1aws n ILE 1097CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1aws s LEU 1098N 5.17 4.06 0.00 1.39 2.96 0.15 -1.33 118.68 131.07 1aws s LEU 1098Ca 0.98 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 55.26 1aws s LEU 1098Cb -0.74 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 43.42 1aws s LEU 1098CO 0.51 -0.24 0.00 -0.24 -1.32 0.00 0.00 176.35 175.07 1aws n SER 1099N 5.43 0.00 -2.82 3.68 2.88 -0.19 -2.05 113.62 120.55 1aws n SER 1099Ca -0.06 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.40 1aws n SER 1099Cb 0.50 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.97 1aws n SER 1099CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aws n ALA 1101N -3.00 -1.33 -1.90 -1.46 0.00 0.21 -0.36 120.51 112.67 1aws n ALA 1101Ca 0.00 -1.31 -0.29 0.00 0.00 0.00 0.00 53.44 51.83 1aws n ALA 1101Cb 0.00 -1.39 0.15 0.00 0.00 0.00 0.00 19.45 18.21 1aws n ALA 1101CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aws s ASN 1102N 0.28 3.62 -0.55 0.00 2.20 -1.26 -4.71 114.94 114.52 1aws s ASN 1102Ca 0.31 0.48 0.05 0.00 -0.94 0.00 0.00 52.86 52.75 1aws s ASN 1102Cb 0.05 -0.71 0.17 0.00 -2.00 0.00 0.00 41.25 38.77 1aws s ASN 1102CO -0.10 -2.43 0.43 0.00 -2.94 0.00 0.00 177.10 172.06 1aws n ALA 1103N -3.61 3.15 -0.08 3.54 0.00 -1.26 -5.01 120.51 117.24 1aws n ALA 1103Ca 0.12 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.74 1aws n ALA 1103Cb 0.60 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1aws n ALA 1103CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aws n GLY 1104N 2.32 -2.91 1.49 0.00 0.00 -1.26 -4.81 105.19 100.02 1aws n GLY 1104Ca 0.25 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 1aws n GLY 1104CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aws n PRO 1105N -0.10 0.00 -2.98 1.61 -0.02 -1.26 -3.40 135.00 128.86 1aws n PRO 1105Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 1aws n PRO 1105Cb 0.00 -0.44 0.04 0.00 -0.02 0.00 0.00 33.50 33.07 1aws n PRO 1105CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1aws n ASN 1106N 0.87 -5.64 -2.55 2.55 5.03 -1.26 -4.95 115.26 109.31 1aws n ASN 1106Ca 0.08 -0.27 -0.13 0.00 0.87 0.00 0.00 54.58 55.13 1aws n ASN 1106Cb 0.11 -4.45 0.03 0.00 -1.02 0.00 0.00 39.78 34.44 1aws n ASN 1106CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1aws n THR 1107N -4.41 1.65 -2.79 3.41 -2.24 -1.22 -4.18 114.28 104.51 1aws n THR 1107Ca -0.09 -3.61 -0.42 0.00 -2.27 0.00 0.00 64.05 57.66 1aws n THR 1107Cb 0.60 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1aws n THR 1107CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1aws s ASN 1108N -3.51 7.10 0.00 3.42 0.01 -0.69 -4.24 114.94 117.03 1aws s ASN 1108Ca 0.36 1.36 0.00 0.00 -0.71 0.00 0.00 52.86 53.86 1aws s ASN 1108Cb 0.40 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.55 1aws s ASN 1108CO -0.03 -0.42 0.00 0.61 -1.51 0.00 0.00 177.10 175.75 1aws n GLY 1109N 3.26 1.10 0.17 0.66 0.00 -1.26 -1.17 105.19 107.95 1aws n GLY 1109Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1aws n GLY 1109CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aws n SER 1110N 0.00 1.22 -4.72 1.61 3.41 -1.25 -4.48 113.62 109.42 1aws n SER 1110Ca 0.00 -1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 57.09 1aws n SER 1110Cb 0.00 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 1aws n SER 1110CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1aws s GLN 1111N -0.57 4.51 0.18 4.33 -0.21 -1.25 -4.26 119.66 122.38 1aws s GLN 1111Ca 0.05 1.17 0.01 0.00 0.02 0.00 0.00 55.36 56.61 1aws s GLN 1111Cb 0.04 -3.44 -0.05 0.00 1.00 0.00 0.00 33.01 30.57 1aws s GLN 1111CO 0.08 0.06 0.04 -0.59 -2.12 0.00 0.00 175.29 172.75 1aws s PHE 1112N 0.72 1.18 -0.01 0.91 -0.12 -0.45 -0.62 117.98 119.59 1aws s PHE 1112Ca 0.44 -1.11 -0.04 0.00 -0.05 0.00 0.00 56.93 56.17 1aws s PHE 1112Cb -0.20 -0.67 -0.00 0.00 -0.63 0.00 0.00 43.02 41.52 1aws s PHE 1112CO 0.24 -0.32 0.08 -0.59 -0.05 0.00 0.00 175.22 174.57 1aws s PHE 1113N -3.79 0.03 -0.19 3.49 -0.71 0.51 -1.83 117.98 115.49 1aws s PHE 1113Ca 0.27 -0.05 -0.05 0.00 -1.04 0.00 0.00 56.93 56.06 1aws s PHE 1113Cb 0.07 -0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.81 1aws s PHE 1113CO 0.05 -0.16 -0.01 0.42 -1.34 0.00 0.00 175.22 174.18 1aws s ILE 1114N -0.77 3.91 0.32 -4.49 1.01 -0.36 -1.03 121.20 119.81 1aws s ILE 1114Ca -0.09 -0.33 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 1aws s ILE 1114Cb -0.05 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.57 1aws s ILE 1114CO 0.00 0.44 1.00 0.00 0.00 0.00 0.00 174.94 176.39 1aws n THR 1116N 0.67 1.72 0.00 0.00 -2.24 -0.89 0.24 114.28 113.78 1aws n THR 1116Ca 0.01 -2.52 0.00 0.00 -2.27 0.00 0.00 64.05 59.27 1aws n THR 1116Cb 0.48 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1aws n THR 1116CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aws n ALA 1117N -0.94 0.00 -1.97 6.98 0.00 -1.26 -4.57 120.51 118.75 1aws n ALA 1117Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1aws n ALA 1117Cb 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.16 1aws n ALA 1117CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1aws s LYS 1118N -2.00 4.13 -0.56 0.00 2.20 -1.26 -3.70 119.74 118.54 1aws s LYS 1118Ca 0.00 2.19 0.07 0.00 -0.36 0.00 0.00 55.97 57.87 1aws s LYS 1118Cb 0.00 -4.02 0.26 0.00 -1.51 0.00 0.00 37.83 32.56 1aws s LYS 1118CO 0.00 -0.92 0.70 0.25 -0.36 0.00 0.00 175.35 175.03 1aws n THR 1119N 5.60 1.56 -0.03 3.43 -2.24 -1.20 -4.95 114.28 116.45 1aws n THR 1119Ca 0.18 -4.92 0.01 0.00 -2.27 0.00 0.00 64.05 57.05 1aws n THR 1119Cb 0.43 -1.97 0.32 0.00 -2.10 0.00 0.00 70.33 67.01 1aws n THR 1119CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1aws h GLU 1120N 4.02 0.59 0.00 -0.78 9.09 -1.92 -2.83 114.58 122.74 1aws h GLU 1120Ca 0.16 -0.09 0.00 0.00 0.05 0.00 0.00 59.36 59.48 1aws h GLU 1120Cb 0.71 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 1aws h GLU 1120CO 0.73 0.52 0.22 0.11 0.05 0.00 0.00 179.01 180.65 1aws h TRP 1121N 0.58 0.00 0.00 2.06 0.09 -1.94 0.52 115.95 117.26 1aws h TRP 1121Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.12 1aws h TRP 1121Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.42 1aws h TRP 1121CO 0.01 0.00 -0.37 1.28 0.09 0.00 0.00 178.44 179.45 1aws n LEU 1122N -2.55 0.63 -4.66 0.11 4.77 -1.07 -4.83 117.00 109.40 1aws n LEU 1122Ca -0.02 0.32 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 1aws n LEU 1122Cb 0.26 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1aws n LEU 1122CO 0.11 -0.06 1.59 -1.81 -1.33 0.00 0.00 177.39 175.89 1aws s ASP 1123N -4.02 6.43 0.00 -1.43 1.01 0.18 -1.57 116.67 117.28 1aws s ASP 1123Ca 0.09 2.61 0.00 0.00 0.71 0.00 0.00 52.55 55.96 1aws s ASP 1123Cb 0.14 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1aws s ASP 1123CO 0.66 -1.08 0.00 0.61 0.21 0.00 0.00 175.17 175.58 1aws n GLY 1124N 4.55 1.06 0.03 0.21 0.00 -1.26 -4.85 105.19 104.93 1aws n GLY 1124Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 1aws n GLY 1124CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aws n LYS 1125N -1.79 2.69 -4.71 1.61 5.02 -0.60 -4.98 118.16 115.39 1aws n LYS 1125Ca 0.00 -0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.96 1aws n LYS 1125Cb 0.00 -1.17 -0.17 0.00 -0.02 0.00 0.00 35.03 33.68 1aws n LYS 1125CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1aws s HIS 1126N -2.19 2.53 -0.49 2.13 3.76 -0.89 -4.88 115.29 115.26 1aws s HIS 1126Ca -0.03 -1.23 -0.28 0.00 -0.15 0.00 0.00 55.06 53.37 1aws s HIS 1126Cb 0.02 -1.73 -0.00 0.00 1.11 0.00 0.00 32.58 31.98 1aws s HIS 1126CO 0.27 -0.56 1.62 0.08 -0.85 0.00 0.00 174.74 175.30 1aws s VAL 1127N 0.77 3.62 0.14 -0.90 1.01 -1.26 -4.81 120.40 118.97 1aws s VAL 1127Ca -0.09 0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1aws s VAL 1127Cb -0.16 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1aws s VAL 1127CO -0.00 -0.85 1.03 -0.69 0.00 0.00 0.00 175.10 174.59 1aws s VAL 1128N 6.89 4.19 0.00 2.92 1.01 -1.26 -4.63 120.40 129.52 1aws s VAL 1128Ca 0.64 1.86 0.00 0.00 0.00 0.00 0.00 61.98 64.48 1aws s VAL 1128Cb -0.15 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1aws s VAL 1128CO 0.27 0.30 0.00 2.22 0.00 0.00 0.00 175.10 177.90 1aws n PHE 1129N 2.59 0.00 -3.83 5.22 -1.74 -0.87 -4.71 117.46 114.13 1aws n PHE 1129Ca 0.03 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.85 1aws n PHE 1129Cb 0.48 0.02 0.01 0.00 1.52 0.00 0.00 39.48 41.50 1aws n PHE 1129CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1aws s GLY 1130N 0.00 0.16 -0.24 4.97 0.00 -1.05 -0.82 107.32 110.34 1aws s GLY 1130Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 44.72 44.02 1aws s GLY 1130CO 0.00 0.20 0.63 1.25 0.00 0.00 0.00 173.10 175.18 1aws s LYS 1131N -2.76 0.71 0.19 2.90 2.20 -1.15 0.31 119.74 122.14 1aws s LYS 1131Ca 0.15 0.94 -0.33 0.00 -0.36 0.00 0.00 55.97 56.37 1aws s LYS 1131Cb -0.05 0.30 -0.14 0.00 -1.51 0.00 0.00 37.83 36.43 1aws s LYS 1131CO 0.09 -0.10 1.48 0.28 -0.36 0.00 0.00 175.35 176.74 1aws n VAL 1132N 3.12 0.39 -0.12 4.02 0.31 -0.35 -1.29 118.33 124.40 1aws n VAL 1132Ca -0.16 -0.10 -0.25 0.00 -0.01 0.00 0.00 64.34 63.83 1aws n VAL 1132Cb 0.56 -1.44 -0.09 0.00 -0.91 0.00 0.00 33.84 31.96 1aws n VAL 1132CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1aws n LYS 1133N 2.78 0.57 -4.17 5.55 5.02 0.88 -4.84 118.16 123.94 1aws n LYS 1133Ca 0.15 0.34 -0.16 0.00 -2.02 0.00 0.00 58.31 56.62 1aws n LYS 1133Cb 0.29 -1.55 -0.13 0.00 -0.02 0.00 0.00 35.03 33.62 1aws n LYS 1133CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1aws s GLU 1134N -2.51 0.60 0.00 1.97 2.12 -1.24 -4.99 118.70 114.65 1aws s GLU 1134Ca -0.35 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.40 1aws s GLU 1134Cb 0.11 -0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.00 1aws s GLU 1134CO 0.50 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 1aws n GLY 1135N 2.04 0.33 2.71 -1.50 0.00 -1.26 -1.66 105.19 105.85 1aws n GLY 1135Ca -0.18 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1aws n GLY 1135CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aws n ASN 1137N 0.00 0.00 0.12 1.61 6.94 -1.26 -1.98 115.26 120.69 1aws n ASN 1137Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.32 1aws n ASN 1137Cb 0.00 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 1aws n ASN 1137CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1aws h ILE 1138N 0.00 1.18 0.00 1.53 1.08 -1.95 -2.78 117.51 116.57 1aws h ILE 1138Ca 0.00 -2.66 -0.07 0.00 -0.39 0.00 0.00 64.86 61.74 1aws h ILE 1138Cb 0.00 2.95 -0.01 0.00 -3.07 0.00 0.00 36.82 36.69 1aws h ILE 1138CO 0.00 0.83 -0.34 0.58 -0.69 0.00 0.00 178.15 178.52 1aws h VAL 1139N 0.13 1.10 -0.22 1.67 2.07 -1.78 -2.91 116.25 116.31 1aws h VAL 1139Ca -0.28 -1.24 -0.11 0.00 0.82 0.00 0.00 66.70 65.89 1aws h VAL 1139Cb 2.15 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 33.61 1aws h VAL 1139CO 0.24 0.34 -0.30 -0.33 0.02 0.00 0.00 177.57 177.54 1aws h GLU 1140N 0.00 0.59 -0.75 1.57 5.08 -1.82 -2.34 114.58 116.90 1aws h GLU 1140Ca -0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1aws h GLU 1140Cb 0.67 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1aws h GLU 1140CO 0.04 0.94 0.00 0.00 -1.00 0.00 0.00 179.01 179.00 1aws n ALA 1141N -2.49 1.28 0.00 3.43 0.00 -1.05 -2.73 120.51 118.95 1aws n ALA 1141Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1aws n ALA 1141Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1aws n ALA 1141CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1aws n GLU 1143N 0.65 0.00 0.19 0.00 2.13 -0.88 -3.71 120.64 119.01 1aws n GLU 1143Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 1aws n GLU 1143Cb 0.03 -0.19 0.82 0.00 0.27 0.00 0.00 31.44 32.36 1aws n GLU 1143CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1aws h ARG 1144N 0.00 0.00 -0.92 5.31 3.08 -1.81 -0.67 114.38 119.37 1aws h ARG 1144Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1aws h ARG 1144Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1aws h ARG 1144CO 0.00 0.00 0.20 1.19 -1.07 0.00 0.00 179.97 180.29 1aws n PHE 1145N -3.61 1.34 -2.46 3.04 3.72 -1.24 -4.87 117.46 113.37 1aws n PHE 1145Ca 0.03 -0.86 0.00 0.00 -0.05 0.00 0.00 57.45 56.57 1aws n PHE 1145Cb 0.43 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 1aws n PHE 1145CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aws n GLY 1146N -0.08 4.50 0.00 1.37 0.00 -0.26 0.15 105.19 110.87 1aws n GLY 1146Ca 0.24 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1aws n GLY 1146CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aws n SER 1147N -0.04 0.00 -0.12 1.61 3.41 -1.08 -4.28 113.62 113.12 1aws n SER 1147Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1aws n SER 1147Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1aws n SER 1147CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1aws n ARG 1148N 0.00 0.66 -0.05 4.33 1.74 -1.26 -3.70 116.66 118.37 1aws n ARG 1148Ca 0.00 0.12 0.11 0.00 -0.77 0.00 0.00 57.85 57.32 1aws n ARG 1148Cb 0.00 -1.52 0.43 0.00 -1.02 0.00 0.00 32.46 30.35 1aws n ARG 1148CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1aws n ASN 1149N -3.17 1.53 0.00 0.55 0.23 -1.26 -4.90 115.26 108.24 1aws n ASN 1149Ca -0.43 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 1aws n ASN 1149Cb 1.02 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.65 1aws n ASN 1149CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1aws n GLY 1150N 1.13 2.50 3.67 4.83 0.00 -1.26 -4.98 105.19 111.07 1aws n GLY 1150Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.72 1aws n GLY 1150CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aws n LYS 1151N -1.38 2.14 -2.74 1.61 4.81 -1.26 -1.84 118.16 119.50 1aws n LYS 1151Ca 0.00 0.78 -0.42 0.00 -0.87 0.00 0.00 58.31 57.79 1aws n LYS 1151Cb 0.00 -2.56 -0.03 0.00 0.02 0.00 0.00 35.03 32.46 1aws n LYS 1151CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1aws s THR 1152N 1.61 4.81 0.56 3.15 -4.23 -1.26 -2.64 115.64 117.64 1aws s THR 1152Ca 0.82 1.93 0.42 0.00 -1.18 0.00 0.00 61.69 63.68 1aws s THR 1152Cb -0.69 -4.27 0.43 0.00 1.34 0.00 0.00 72.50 69.32 1aws s THR 1152CO 0.41 0.01 2.30 -1.28 -0.54 0.00 0.00 174.62 175.52 1aws h SER 1153N 7.15 0.00 -5.06 3.99 0.87 -0.48 -3.44 113.55 116.59 1aws h SER 1153Ca -0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 1aws h SER 1153Cb 1.14 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.99 1aws h SER 1153CO 0.85 0.00 0.06 -0.54 -0.53 0.00 0.00 176.83 176.68 1aws s LYS 1154N -4.08 1.30 -0.44 2.24 1.02 -1.24 -5.05 119.74 113.48 1aws s LYS 1154Ca -0.04 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 54.94 1aws s LYS 1154Cb 0.12 0.53 0.01 0.00 -0.52 0.00 0.00 37.83 37.98 1aws s LYS 1154CO 0.44 -0.55 1.36 0.21 -0.92 0.00 0.00 175.35 175.90 1aws s LYS 1155N -3.83 3.56 -0.18 1.68 2.47 -1.26 -4.95 119.74 117.23 1aws s LYS 1155Ca 0.06 0.80 -0.10 0.00 -1.56 0.00 0.00 55.97 55.17 1aws s LYS 1155Cb -0.01 -4.02 -0.05 0.00 -1.46 0.00 0.00 37.83 32.30 1aws s LYS 1155CO -0.07 -1.58 0.16 0.42 0.16 0.00 0.00 175.35 174.43 1aws s ILE 1156N 5.35 5.40 0.10 5.43 -1.09 -1.26 -0.77 121.20 134.35 1aws s ILE 1156Ca 0.58 0.25 0.01 0.00 -2.23 0.00 0.00 60.65 59.26 1aws s ILE 1156Cb -0.12 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1aws s ILE 1156CO 0.32 0.45 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.54 1aws s THR 1157N 0.21 0.59 -1.01 2.92 2.01 -0.82 -2.60 115.64 116.94 1aws s THR 1157Ca 0.10 -1.92 -0.11 0.00 0.31 0.00 0.00 61.69 60.07 1aws s THR 1157Cb -0.11 -1.70 0.25 0.00 0.01 0.00 0.00 72.50 70.94 1aws s THR 1157CO -0.00 -0.85 1.00 -0.63 -0.69 0.00 0.00 174.62 173.45 1aws s ILE 1158N -3.69 5.80 0.41 1.82 1.01 -0.56 -2.04 121.20 123.96 1aws s ILE 1158Ca 0.12 -3.01 0.30 0.00 0.00 0.00 0.00 60.65 58.06 1aws s ILE 1158Cb 0.06 -4.57 0.30 0.00 0.01 0.00 0.00 42.46 38.25 1aws s ILE 1158CO -0.05 -1.16 1.90 0.00 0.00 0.00 0.00 174.94 175.64 1aws h ALA 1159N 7.14 1.16 -1.16 9.38 0.00 -0.45 -1.27 119.26 134.06 1aws h ALA 1159Ca 0.16 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.28 1aws h ALA 1159Cb 0.94 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.46 1aws h ALA 1159CO 0.93 -0.16 0.87 0.34 0.00 0.00 0.00 179.25 181.23 1aws s ASP 1160N -4.40 -0.10 0.01 0.00 2.15 -1.22 -4.79 116.67 108.31 1aws s ASP 1160Ca -0.03 0.11 -0.27 0.00 0.43 0.00 0.00 52.55 52.78 1aws s ASP 1160Cb 0.09 0.08 0.06 0.00 -0.30 0.00 0.00 42.92 42.85 1aws s ASP 1160CO 0.27 -0.10 0.61 0.00 -0.17 0.00 0.00 175.17 175.79 1aws n GLY 1162N 0.61 0.54 3.40 0.00 0.00 -1.14 -4.42 105.19 104.17 1aws n GLY 1162Ca -0.19 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 1aws n GLY 1162CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1aws s GLN 1163N -2.00 3.52 0.00 1.61 0.74 -1.26 -1.95 119.66 120.32 1aws s GLN 1163Ca 0.00 -0.56 0.21 0.00 0.05 0.00 0.00 55.36 55.06 1aws s GLN 1163Cb -0.00 -3.04 -0.06 0.00 1.10 0.00 0.00 33.01 31.01 1aws s GLN 1163CO -0.00 -0.05 0.99 1.28 -0.55 0.00 0.00 175.29 176.96 1aws n LEU 1164N 4.41 1.71 0.00 3.68 4.77 -0.69 -5.02 117.00 125.85 1aws n LEU 1164Ca -0.17 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1aws n LEU 1164Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1aws n LEU 1164CO 0.31 0.33 0.00 1.21 -1.33 0.00 0.00 177.39 177.91