#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwu n SER 1002N 0.00 5.48 -2.98 7.83 3.41 -1.26 -4.78 113.62 121.33 2hwu n SER 1002Ca 0.00 -3.62 -0.03 0.00 -0.26 0.00 0.00 58.87 54.97 2hwu n SER 1002Cb 0.00 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 2hwu n SER 1002CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hwu n LYS 1003N 0.18 -1.66 -3.69 4.33 4.76 -1.26 -5.07 118.16 115.75 2hwu n LYS 1003Ca 0.35 1.70 -0.10 0.00 -2.87 0.00 0.00 58.31 57.39 2hwu n LYS 1003Cb 0.35 -5.70 -0.10 0.00 -1.84 0.00 0.00 35.03 27.73 2hwu n LYS 1003CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2hwu s SER 1004N -2.86 -0.53 0.00 4.39 0.15 -1.26 -4.59 113.70 109.00 2hwu s SER 1004Ca 0.08 0.95 0.29 0.00 0.70 0.00 0.00 55.95 57.97 2hwu s SER 1004Cb -0.02 0.87 1.27 0.00 -1.71 0.00 0.00 66.02 66.42 2hwu s SER 1004CO 0.75 -0.20 1.92 0.47 1.20 0.00 0.00 173.24 177.38 2hwu n ASP 1005N 4.37 0.10 -4.25 5.45 9.92 0.13 -4.05 116.55 128.22 2hwu n ASP 1005Ca -0.22 0.10 -0.15 0.00 -0.53 0.00 0.00 54.79 53.99 2hwu n ASP 1005Cb 0.55 -0.32 -0.10 0.00 -0.64 0.00 0.00 41.12 40.61 2hwu n ASP 1005CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2hwu s VAL 1006N -2.80 1.22 -0.04 2.53 -7.23 -1.21 -5.00 120.40 107.87 2hwu s VAL 1006Ca 0.20 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.16 2hwu s VAL 1006Cb 0.19 -1.75 -0.22 0.00 0.56 0.00 0.00 36.38 35.16 2hwu s VAL 1006CO 0.52 -0.65 1.11 0.15 -0.31 0.00 0.00 175.10 175.91 2hwu h PHE 1007N 2.98 0.20 0.00 2.82 3.57 -1.94 -3.38 116.94 121.18 2hwu h PHE 1007Ca -0.37 -0.09 -0.16 0.00 3.53 0.00 0.00 57.97 60.88 2hwu h PHE 1007Cb 1.19 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2hwu h PHE 1007CO 0.65 0.81 -1.24 0.72 -2.23 0.00 0.00 178.31 177.02 2hwu n HIS 1008N -4.60 0.55 0.31 0.41 8.25 -1.26 -4.57 115.22 114.30 2hwu n HIS 1008Ca -0.09 0.24 0.18 0.00 -0.26 0.00 0.00 57.72 57.79 2hwu n HIS 1008Cb 0.42 -0.84 0.97 0.00 1.12 0.00 0.00 29.99 31.66 2hwu n HIS 1008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2hwu h LEU 1009N -1.00 0.00 -0.96 2.41 3.38 -1.91 -3.44 115.31 113.79 2hwu h LEU 1009Ca -0.24 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.49 2hwu h LEU 1009Cb 1.06 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.89 2hwu h LEU 1009CO -0.14 0.03 -0.43 0.61 0.09 0.00 0.00 178.44 178.60 2hwu n GLY 1010N -0.85 0.02 3.33 0.83 0.00 -1.26 -4.67 105.19 102.58 2hwu n GLY 1010Ca -0.02 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 2hwu n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hwu s LEU 1011N -4.91 2.51 0.28 0.99 1.43 -1.26 -4.78 118.68 112.93 2hwu s LEU 1011Ca 0.35 -0.96 0.11 0.00 -1.03 0.00 0.00 54.13 52.60 2hwu s LEU 1011Cb -0.15 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 2hwu s LEU 1011CO 0.45 -0.14 -0.16 0.42 0.23 0.00 0.00 176.35 177.16 2hwu s THR 1012N -2.65 2.63 0.45 5.49 -4.23 -1.26 0.20 115.64 116.26 2hwu s THR 1012Ca 0.19 -2.31 0.14 0.00 -1.18 0.00 0.00 61.69 58.53 2hwu s THR 1012Cb -0.02 -2.41 0.32 0.00 1.34 0.00 0.00 72.50 71.73 2hwu s THR 1012CO 0.06 -0.39 2.01 0.11 -0.54 0.00 0.00 174.62 175.87 2hwu h LYS 1013N 2.19 0.34 -0.46 3.99 1.57 -1.96 -2.35 116.57 119.89 2hwu h LYS 1013Ca -0.41 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.30 2hwu h LYS 1013Cb 1.26 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 2hwu h LYS 1013CO 0.61 0.23 0.10 -0.97 -0.57 0.00 0.00 179.45 178.84 2hwu h ASN 1014N 0.35 0.70 -1.10 0.86 -1.24 -1.96 -2.85 115.58 110.35 2hwu h ASN 1014Ca 0.23 -0.24 0.31 0.00 0.71 0.00 0.00 56.30 57.31 2hwu h ASN 1014Cb 0.46 -0.19 -0.06 0.00 0.73 0.00 0.00 38.32 39.27 2hwu h ASN 1014CO -0.06 0.76 0.77 0.44 -1.29 0.00 0.00 177.43 178.06 2hwu h ASP 1015N 0.61 0.10 1.23 1.15 3.45 -1.83 -0.86 116.42 120.28 2hwu h ASP 1015Ca 0.14 0.02 -0.15 0.00 0.43 0.00 0.00 57.03 57.48 2hwu h ASP 1015Cb 0.34 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 2hwu h ASP 1015CO 0.00 0.02 -0.69 -0.07 -1.57 0.00 0.00 179.24 176.93 2hwu h LEU 1016N 0.09 0.00 -1.16 1.55 4.07 -1.55 -3.47 115.31 114.83 2hwu h LEU 1016Ca 0.55 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 58.06 2hwu h LEU 1016Cb 1.99 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.75 2hwu h LEU 1016CO -0.07 0.69 -0.76 0.00 -1.08 0.00 0.00 178.44 177.22 2hwu n GLN 1017N -3.31 -5.84 -1.17 1.13 1.13 -0.33 -1.80 117.38 107.19 2hwu n GLN 1017Ca 0.01 0.65 -0.06 0.00 -1.94 0.00 0.00 57.00 55.66 2hwu n GLN 1017Cb 0.80 -5.50 -0.03 0.00 0.11 0.00 0.00 30.24 25.62 2hwu n GLN 1017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2hwu n GLY 1018N -1.70 0.83 3.70 1.08 0.00 -1.26 -4.74 105.19 103.09 2hwu n GLY 1018Ca -0.05 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 2hwu n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwu s ALA 1019N -2.17 3.66 -0.50 4.61 0.00 -0.74 -4.90 121.76 121.73 2hwu s ALA 1019Ca 0.00 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.18 2hwu s ALA 1019Cb 0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2hwu s ALA 1019CO 0.00 -0.89 0.42 1.04 0.00 0.00 0.00 175.76 176.33 2hwu n GLN 1020N 4.87 3.28 -5.10 0.00 6.02 -1.26 -4.30 117.38 120.89 2hwu n GLN 1020Ca 0.14 -0.31 -0.32 0.00 -0.01 0.00 0.00 57.00 56.50 2hwu n GLN 1020Cb 0.41 -0.91 -0.15 0.00 1.02 0.00 0.00 30.24 30.61 2hwu n GLN 1020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2hwu s LEU 1021N -1.74 2.38 -0.09 1.08 0.20 -1.26 -0.45 118.68 118.81 2hwu s LEU 1021Ca 0.04 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.52 2hwu s LEU 1021Cb 0.05 -1.45 0.02 0.00 -0.43 0.00 0.00 46.19 44.39 2hwu s LEU 1021CO 0.20 0.32 -0.07 0.00 -0.29 0.00 0.00 176.35 176.52 2hwu s ALA 1022N -0.61 1.16 -0.05 5.97 0.00 0.58 -1.93 121.76 126.89 2hwu s ALA 1022Ca 0.09 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 2hwu s ALA 1022Cb -0.11 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2hwu s ALA 1022CO 0.00 -0.29 1.05 0.42 0.00 0.00 0.00 175.76 176.94 2hwu s ILE 1023N 1.49 4.64 -0.53 0.00 1.01 0.14 -1.53 121.20 126.41 2hwu s ILE 1023Ca 0.00 1.91 0.04 0.00 0.00 0.00 0.00 60.65 62.60 2hwu s ILE 1023Cb -0.13 -4.22 0.14 0.00 0.01 0.00 0.00 42.46 38.25 2hwu s ILE 1023CO -0.05 0.06 0.29 0.68 0.00 0.00 0.00 174.94 175.91 2hwu s VAL 1024N 1.68 2.51 0.95 2.92 -7.23 0.12 -1.43 120.40 119.93 2hwu s VAL 1024Ca 0.52 -3.37 -0.13 0.00 -1.81 0.00 0.00 61.98 57.19 2hwu s VAL 1024Cb -0.21 -2.73 0.16 0.00 0.56 0.00 0.00 36.38 34.16 2hwu s VAL 1024CO 0.23 -0.83 1.15 -2.16 -0.31 0.00 0.00 175.10 173.17 2hwu s PRO 1025N -0.37 0.81 -0.11 4.82 0.04 -1.21 -3.46 135.00 135.51 2hwu s PRO 1025Ca 0.18 0.21 0.15 0.00 0.04 0.00 0.00 61.00 61.58 2hwu s PRO 1025Cb -0.23 -1.81 -0.24 0.00 0.04 0.00 0.00 34.50 32.26 2hwu s PRO 1025CO -0.02 -2.41 0.39 0.41 0.04 0.00 0.00 177.00 175.42 2hwu n GLY 1026N -2.14 -0.99 3.60 0.56 0.00 -1.26 -0.47 105.19 104.50 2hwu n GLY 1026Ca 0.08 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2hwu n GLY 1026CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hwu s ASP 1027N -5.85 5.92 0.52 1.61 3.68 -1.26 -1.33 116.67 119.97 2hwu s ASP 1027Ca -0.07 0.02 0.27 0.00 2.13 0.00 0.00 52.55 54.89 2hwu s ASP 1027Cb 0.07 -2.08 1.40 0.00 -1.45 0.00 0.00 42.92 40.86 2hwu s ASP 1027CO 0.82 0.01 1.95 -0.65 0.13 0.00 0.00 175.17 177.44 2hwu h PRO 1028N 7.90 0.03 0.00 4.34 0.11 -1.92 -1.05 132.00 141.42 2hwu h PRO 1028Ca -0.37 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 2hwu h PRO 1028Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2hwu h PRO 1028CO 0.61 0.02 -0.47 0.93 -0.21 0.00 0.00 178.00 178.88 2hwu h GLU 1029N 0.03 0.00 0.00 1.05 5.08 -1.95 -3.20 114.58 115.59 2hwu h GLU 1029Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2hwu h GLU 1029Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2hwu h GLU 1029CO -0.02 0.47 0.00 -0.09 -1.00 0.00 0.00 179.01 178.38 2hwu h ARG 1030N 0.00 0.00 -0.33 2.33 2.43 -1.60 -3.35 114.38 113.86 2hwu h ARG 1030Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2hwu h ARG 1030Cb 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2hwu h ARG 1030CO 0.06 0.00 0.12 0.28 -1.51 0.00 0.00 179.97 178.92 2hwu h VAL 1031N 0.00 1.19 -0.69 0.20 2.07 -1.58 -2.03 116.25 115.42 2hwu h VAL 1031Ca 0.00 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2hwu h VAL 1031Cb 0.65 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2hwu h VAL 1031CO 0.00 0.21 0.23 -0.08 0.02 0.00 0.00 177.57 177.95 2hwu h GLU 1032N 0.38 1.05 -0.59 1.57 4.81 -1.79 -1.95 114.58 118.05 2hwu h GLU 1032Ca 0.11 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 2hwu h GLU 1032Cb 0.21 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2hwu h GLU 1032CO -0.01 0.89 0.07 0.87 -0.73 0.00 0.00 179.01 180.10 2hwu h LYS 1033N 1.02 0.97 -0.11 1.92 1.79 -1.67 -1.99 116.57 118.49 2hwu h LYS 1033Ca 0.23 -0.26 -0.14 0.00 -2.18 0.00 0.00 60.65 58.30 2hwu h LYS 1033Cb 0.27 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2hwu h LYS 1033CO -0.01 0.92 -0.46 0.82 -1.08 0.00 0.00 179.45 179.63 2hwu h ILE 1034N 0.91 1.37 0.00 1.86 2.04 -1.22 -3.07 117.51 119.40 2hwu h ILE 1034Ca 0.18 -1.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.25 2hwu h ILE 1034Cb 0.44 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2hwu h ILE 1034CO 0.01 0.53 -0.05 0.00 0.00 0.00 0.00 178.15 178.64 2hwu h ALA 1035N 0.49 1.22 0.00 1.87 0.00 -1.30 -2.28 119.26 119.25 2hwu h ALA 1035Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2hwu h ALA 1035Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2hwu h ALA 1035CO 0.10 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2hwu n ALA 1036N -2.22 2.09 0.63 0.00 0.00 -0.76 -2.04 120.51 118.22 2hwu n ALA 1036Ca -0.02 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.43 2hwu n ALA 1036Cb 0.18 -1.33 0.27 0.00 0.00 0.00 0.00 19.45 18.57 2hwu n ALA 1036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hwu n LEU 1037N -1.24 2.72 -4.43 0.00 4.32 -0.86 -4.96 117.00 112.55 2hwu n LEU 1037Ca 0.10 -1.20 -0.22 0.00 -0.02 0.00 0.00 56.01 54.68 2hwu n LEU 1037Cb 0.14 -0.22 -0.10 0.00 -1.62 0.00 0.00 43.42 41.63 2hwu n LEU 1037CO 0.15 0.60 -0.24 -0.04 -1.22 0.00 0.00 177.39 176.64 2hwu s MET 1038N -1.56 1.69 0.44 3.23 -1.94 -0.87 -5.10 119.30 115.19 2hwu s MET 1038Ca 0.36 -1.97 -0.16 0.00 -1.71 0.00 0.00 55.69 52.21 2hwu s MET 1038Cb 0.20 -0.59 -0.08 0.00 2.01 0.00 0.00 34.83 36.36 2hwu s MET 1038CO 0.28 -0.33 0.88 -0.51 -0.01 0.00 0.00 175.02 175.34 2hwu s ASP 1039N -3.48 6.69 -0.89 3.03 1.01 0.16 -4.41 116.67 118.78 2hwu s ASP 1039Ca 0.33 1.44 -0.13 0.00 0.71 0.00 0.00 52.55 54.90 2hwu s ASP 1039Cb 0.06 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.56 2hwu s ASP 1039CO 0.15 -0.43 0.24 0.29 0.21 0.00 0.00 175.17 175.63 2hwu n LYS 1040N -1.11 -0.70 -2.47 8.23 4.76 -1.26 0.41 118.16 126.02 2hwu n LYS 1040Ca 0.05 -0.06 -0.40 0.00 -2.87 0.00 0.00 58.31 55.03 2hwu n LYS 1040Cb 0.54 -1.72 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 2hwu n LYS 1040CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2hwu s PRO 1041N -6.29 4.62 -0.03 1.97 0.04 -1.26 -4.41 135.00 129.65 2hwu s PRO 1041Ca 0.18 1.80 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 2hwu s PRO 1041Cb -0.10 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.25 2hwu s PRO 1041CO 0.64 0.17 0.07 0.54 0.04 0.00 0.00 177.00 178.46 2hwu s VAL 1042N -0.95 -0.02 0.08 -0.36 0.11 0.89 -4.98 120.40 115.16 2hwu s VAL 1042Ca 0.46 0.07 -0.31 0.00 -2.93 0.00 0.00 61.98 59.27 2hwu s VAL 1042Cb -0.32 -0.11 -0.07 0.00 -1.53 0.00 0.00 36.38 34.35 2hwu s VAL 1042CO 0.40 0.03 1.46 -0.75 -3.33 0.00 0.00 175.10 172.91 2hwu s LYS 1043N 0.40 4.27 -0.18 1.54 2.20 -1.26 -0.88 119.74 125.83 2hwu s LYS 1043Ca -0.03 2.12 -0.17 0.00 -0.36 0.00 0.00 55.97 57.53 2hwu s LYS 1043Cb -0.04 -3.40 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 2hwu s LYS 1043CO -0.01 -0.55 -0.33 1.28 -0.36 0.00 0.00 175.35 175.37 2hwu n LEU 1044N 4.68 1.93 -3.84 5.43 4.77 -0.41 -4.92 117.00 124.64 2hwu n LEU 1044Ca 0.13 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.37 2hwu n LEU 1044Cb 0.42 -0.76 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 2hwu n LEU 1044CO 0.60 -0.26 0.04 0.00 -1.33 0.00 0.00 177.39 176.44 2hwu s ALA 1045N -2.88 -0.38 -0.29 -1.18 0.00 -1.17 -5.03 121.76 110.84 2hwu s ALA 1045Ca -0.28 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2hwu s ALA 1045Cb 0.04 0.74 0.15 0.00 0.00 0.00 0.00 23.12 24.05 2hwu s ALA 1045CO 0.41 -0.64 0.36 0.45 0.00 0.00 0.00 175.76 176.34 2hwu s SER 1046N -2.90 0.95 -0.02 0.00 0.15 -1.26 -1.15 113.70 109.47 2hwu s SER 1046Ca 0.10 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.25 2hwu s SER 1046Cb 0.03 0.84 -0.00 0.00 -1.71 0.00 0.00 66.02 65.18 2hwu s SER 1046CO -0.05 -0.37 -0.11 -1.00 1.20 0.00 0.00 173.24 172.91 2hwu s HIS 1047N 2.46 1.06 0.00 3.44 3.76 -0.51 -4.99 115.29 120.51 2hwu s HIS 1047Ca 0.10 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 2hwu s HIS 1047Cb -0.13 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 32.83 2hwu s HIS 1047CO -0.31 -0.08 0.00 0.54 -0.85 0.00 0.00 174.74 174.04 2hwu n ARG 1048N 3.14 0.00 -0.07 1.40 1.74 -1.26 -0.77 116.66 120.84 2hwu n ARG 1048Ca -0.17 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.02 2hwu n ARG 1048Cb 0.55 0.00 0.39 0.00 -1.02 0.00 0.00 32.46 32.38 2hwu n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2hwu n GLU 1049N 14.00 1.67 -3.40 5.56 0.00 -1.26 -4.77 120.64 132.44 2hwu n GLU 1049Ca 0.00 -1.01 -0.44 0.00 0.00 0.00 0.00 57.16 55.71 2hwu n GLU 1049Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 31.44 29.98 2hwu n GLU 1049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2hwu s PHE 1050N -1.81 3.29 -0.19 -1.84 0.40 0.05 -4.16 117.98 113.72 2hwu s PHE 1050Ca 0.32 -1.30 -0.06 0.00 -0.60 0.00 0.00 56.93 55.29 2hwu s PHE 1050Cb 0.17 -3.48 -0.03 0.00 0.51 0.00 0.00 43.02 40.19 2hwu s PHE 1050CO 0.26 -0.93 0.02 0.99 0.70 0.00 0.00 175.22 176.26 2hwu s THR 1051N 1.56 4.33 -0.01 0.64 2.01 -1.26 -1.43 115.64 121.47 2hwu s THR 1051Ca 0.04 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.91 2hwu s THR 1051Cb -0.27 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 2hwu s THR 1051CO 0.03 0.45 -0.21 -0.94 -0.69 0.00 0.00 174.62 173.26 2hwu s SER 1052N 0.62 2.49 0.06 3.53 1.04 -0.30 -1.40 113.70 119.75 2hwu s SER 1052Ca 0.01 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.10 2hwu s SER 1052Cb -0.14 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.68 2hwu s SER 1052CO 0.02 0.26 -0.14 0.26 0.98 0.00 0.00 173.24 174.62 2hwu s TRP 1053N -0.51 1.17 -0.09 5.02 0.52 0.13 -1.28 118.94 123.89 2hwu s TRP 1053Ca 0.08 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 55.78 2hwu s TRP 1053Cb -0.08 -0.67 -0.03 0.00 -1.15 0.00 0.00 33.47 31.54 2hwu s TRP 1053CO -0.01 0.04 -0.09 0.50 0.02 0.00 0.00 176.95 177.42 2hwu s ARG 1054N -1.52 2.96 0.32 4.98 3.52 -0.06 -0.39 118.95 128.76 2hwu s ARG 1054Ca -0.01 -0.59 0.05 0.00 -0.13 0.00 0.00 55.73 55.04 2hwu s ARG 1054Cb -0.09 -2.61 -0.03 0.00 -1.56 0.00 0.00 34.95 30.65 2hwu s ARG 1054CO 0.02 0.52 0.21 0.00 -0.81 0.00 0.00 175.30 175.23 2hwu s ALA 1055N -0.42 1.99 -0.05 6.12 0.00 0.29 -0.08 121.76 129.62 2hwu s ALA 1055Ca 0.06 -1.81 0.06 0.00 0.00 0.00 0.00 51.96 50.27 2hwu s ALA 1055Cb -0.12 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 24.25 2hwu s ALA 1055CO 0.02 -0.56 -0.23 -1.21 0.00 0.00 0.00 175.76 173.78 2hwu s GLU 1056N -3.66 2.47 -0.11 0.00 2.02 0.16 0.06 118.70 119.64 2hwu s GLU 1056Ca 0.36 -0.87 -0.00 0.00 0.02 0.00 0.00 54.97 54.48 2hwu s GLU 1056Cb 0.04 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 32.11 2hwu s GLU 1056CO 0.21 0.46 -0.08 -1.17 0.02 0.00 0.00 175.26 174.70 2hwu s LEU 1057N -0.34 1.24 -1.66 1.80 2.96 0.77 -0.67 118.68 122.78 2hwu s LEU 1057Ca 0.02 -0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 53.49 2hwu s LEU 1057Cb -0.12 -0.85 0.12 0.00 0.50 0.00 0.00 46.19 45.84 2hwu s LEU 1057CO 0.02 -0.10 0.54 0.47 -1.32 0.00 0.00 176.35 175.96 2hwu n ASP 1058N 4.82 -1.67 0.00 3.68 10.43 -1.26 -1.34 116.55 131.22 2hwu n ASP 1058Ca -0.14 -1.11 0.00 0.00 2.57 0.00 0.00 54.79 56.11 2hwu n ASP 1058Cb 0.50 -2.35 0.00 0.00 1.84 0.00 0.00 41.12 41.11 2hwu n ASP 1058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2hwu n GLY 1059N -1.64 2.78 3.72 0.44 0.00 -1.26 -5.04 105.19 104.19 2hwu n GLY 1059Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2hwu n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hwu s LYS 1060N -0.50 2.91 0.30 1.61 1.02 -0.45 -5.02 119.74 119.61 2hwu s LYS 1060Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.16 2hwu s LYS 1060Cb 0.00 -2.75 -0.10 0.00 -0.52 0.00 0.00 37.83 34.46 2hwu s LYS 1060CO 0.00 0.64 1.24 0.00 -0.92 0.00 0.00 175.35 176.31 2hwu s ALA 1061N -1.10 3.47 -0.01 5.17 0.00 -1.26 -0.16 121.76 127.87 2hwu s ALA 1061Ca 0.20 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 2hwu s ALA 1061Cb -0.12 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 2hwu s ALA 1061CO 0.11 -0.47 0.02 0.08 0.00 0.00 0.00 175.76 175.50 2hwu s VAL 1062N -0.99 0.02 -0.14 0.00 1.01 0.11 -4.32 120.40 116.09 2hwu s VAL 1062Ca 0.48 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 2hwu s VAL 1062Cb -0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2hwu s VAL 1062CO 0.47 -0.09 0.12 -0.63 0.00 0.00 0.00 175.10 174.97 2hwu s ILE 1063N -0.27 5.32 -0.22 2.22 -1.09 -0.81 -0.54 121.20 125.81 2hwu s ILE 1063Ca -0.03 0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.53 2hwu s ILE 1063Cb -0.02 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2hwu s ILE 1063CO -0.00 0.57 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.48 2hwu s VAL 1064N -0.62 2.60 -0.04 2.92 1.01 0.48 0.28 120.40 127.03 2hwu s VAL 1064Ca 0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 2hwu s VAL 1064Cb -0.12 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.05 2hwu s VAL 1064CO 0.02 0.35 0.01 0.00 0.00 0.00 0.00 175.10 175.48 2hwu s SER 1066N 1.36 5.79 -0.11 0.00 1.04 -0.49 -3.34 113.70 117.94 2hwu s SER 1066Ca -0.05 2.06 0.14 0.00 0.48 0.00 0.00 55.95 58.58 2hwu s SER 1066Cb -0.13 -2.57 -0.20 0.00 0.10 0.00 0.00 66.02 63.22 2hwu s SER 1066CO -0.02 -1.17 0.13 0.35 0.98 0.00 0.00 173.24 173.51 2hwu n THR 1067N -1.44 0.74 0.00 2.02 -2.24 0.38 -4.46 114.28 109.28 2hwu n THR 1067Ca 0.11 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2hwu n THR 1067Cb 0.52 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 2hwu n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hwu n GLY 1068N 1.96 -0.68 3.67 3.38 0.00 -0.45 -3.60 105.19 109.49 2hwu n GLY 1068Ca -0.18 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 2hwu n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hwu s ILE 1069N -1.43 4.85 0.00 -0.61 1.01 -1.26 -4.71 121.20 119.05 2hwu s ILE 1069Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.38 2hwu s ILE 1069Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2hwu s ILE 1069CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2hwu n GLY 1070N 3.37 1.93 0.20 6.18 0.00 -1.26 -4.69 105.19 110.92 2hwu n GLY 1070Ca 0.06 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 2hwu n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hwu h GLY 1071N 0.00 0.67 0.31 -0.02 0.00 -1.87 -2.86 103.07 99.31 2hwu h GLY 1071Ca 0.00 -0.38 0.06 0.00 0.00 0.00 0.00 47.33 47.01 2hwu h GLY 1071CO 0.00 0.36 -0.13 -2.55 0.00 0.00 0.00 176.54 174.22 2hwu h PRO 1072N 0.51 -0.09 0.00 4.80 0.11 -1.94 0.24 132.00 135.63 2hwu h PRO 1072Ca 0.13 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.14 2hwu h PRO 1072Cb 0.23 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 2hwu h PRO 1072CO -0.01 -0.06 -0.51 0.66 -0.21 0.00 0.00 178.00 177.87 2hwu h SER 1073N -0.09 0.00 -0.19 -2.05 4.64 -1.82 -2.85 113.55 111.19 2hwu h SER 1073Ca 0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 2hwu h SER 1073Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2hwu h SER 1073CO -0.33 0.51 -0.02 0.74 -0.87 0.00 0.00 176.83 176.86 2hwu h THR 1074N 0.00 1.27 -0.53 2.95 2.02 -1.16 -2.34 112.91 115.12 2hwu h THR 1074Ca -0.01 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 66.26 2hwu h THR 1074Cb 1.09 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 2hwu h THR 1074CO 0.07 0.28 0.35 0.77 0.37 0.00 0.00 175.52 177.36 2hwu h SER 1075N 0.09 0.59 0.14 4.18 4.64 -0.43 0.24 113.55 122.99 2hwu h SER 1075Ca 0.05 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2hwu h SER 1075Cb 0.43 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2hwu h SER 1075CO 0.01 0.42 -0.07 0.40 -0.87 0.00 0.00 176.83 176.73 2hwu h ILE 1076N 0.69 0.98 -0.13 0.95 2.04 -1.45 -1.42 117.51 119.17 2hwu h ILE 1076Ca 0.20 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2hwu h ILE 1076Cb -0.05 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2hwu h ILE 1076CO -0.05 0.13 0.03 0.00 0.00 0.00 0.00 178.15 178.26 2hwu h ALA 1077N 0.36 0.13 -0.13 1.87 0.00 -0.80 -0.89 119.26 119.80 2hwu h ALA 1077Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2hwu h ALA 1077Cb 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2hwu h ALA 1077CO 0.03 -0.42 0.06 0.28 0.00 0.00 0.00 179.25 179.20 2hwu h VAL 1078N 0.08 1.13 -0.27 0.00 2.07 -0.61 -1.09 116.25 117.56 2hwu h VAL 1078Ca 0.06 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2hwu h VAL 1078Cb 0.05 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2hwu h VAL 1078CO -0.08 0.11 0.09 -0.08 0.02 0.00 0.00 177.57 177.64 2hwu h GLU 1079N 0.09 0.20 -0.23 1.57 4.57 -1.15 -1.05 114.58 118.58 2hwu h GLU 1079Ca 0.05 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 2hwu h GLU 1079Cb 0.13 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2hwu h GLU 1079CO -0.01 0.13 -0.53 0.93 -1.18 0.00 0.00 179.01 178.36 2hwu h GLU 1080N 0.21 0.67 -0.65 1.92 5.08 -1.08 -1.83 114.58 118.90 2hwu h GLU 1080Ca 0.12 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 2hwu h GLU 1080Cb 0.09 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2hwu h GLU 1080CO -0.13 1.03 0.22 -0.07 -1.00 0.00 0.00 179.01 179.06 2hwu h LEU 1081N 0.52 0.90 -0.99 1.33 3.38 -1.12 -2.28 115.31 117.04 2hwu h LEU 1081Ca 0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2hwu h LEU 1081Cb 1.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2hwu h LEU 1081CO 0.11 0.83 0.06 0.00 0.09 0.00 0.00 178.44 179.52 2hwu h ALA 1082N 1.29 1.17 -0.74 1.53 0.00 -0.86 -1.05 119.26 120.61 2hwu h ALA 1082Ca 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2hwu h ALA 1082Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2hwu h ALA 1082CO -0.01 0.55 0.33 1.96 0.00 0.00 0.00 179.25 182.07 2hwu h GLN 1083N 0.75 1.09 0.00 0.00 4.20 -1.08 -2.86 115.11 117.21 2hwu h GLN 1083Ca 0.16 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 2hwu h GLN 1083Cb 0.37 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2hwu h GLN 1083CO 0.01 0.88 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.76 2hwu h LEU 1084N 1.06 0.00 0.00 1.46 3.38 -0.80 -3.46 115.31 116.94 2hwu h LEU 1084Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2hwu h LEU 1084Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2hwu h LEU 1084CO -0.03 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2hwu n GLY 1085N -0.24 -0.21 3.72 0.83 0.00 -0.60 -4.66 105.19 104.03 2hwu n GLY 1085Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2hwu n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hwu s ILE 1086N -0.72 4.09 -0.02 -0.61 -1.09 -0.50 -4.55 121.20 117.81 2hwu s ILE 1086Ca 0.00 1.58 0.02 0.00 -2.23 0.00 0.00 60.65 60.02 2hwu s ILE 1086Cb 0.00 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 2hwu s ILE 1086CO 0.00 0.17 0.05 0.54 -1.23 0.00 0.00 174.94 174.46 2hwu n ARG 1087N 3.48 1.16 -4.34 2.79 5.12 0.41 -4.18 116.66 121.08 2hwu n ARG 1087Ca 0.07 -0.01 -0.28 0.00 -1.93 0.00 0.00 57.85 55.70 2hwu n ARG 1087Cb 0.47 -0.96 -0.17 0.00 -1.16 0.00 0.00 32.46 30.64 2hwu n ARG 1087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2hwu s THR 1088N -1.96 1.35 -0.16 0.55 2.01 -0.67 -1.27 115.64 115.49 2hwu s THR 1088Ca -0.00 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.46 2hwu s THR 1088Cb 0.01 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.28 2hwu s THR 1088CO 0.07 0.41 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.87 2hwu s PHE 1089N 1.10 2.75 -0.26 4.92 0.40 -0.06 -0.31 117.98 126.53 2hwu s PHE 1089Ca -0.05 -1.33 -0.03 0.00 -0.60 0.00 0.00 56.93 54.92 2hwu s PHE 1089Cb -0.14 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.52 2hwu s PHE 1089CO -0.03 -0.63 -0.03 -0.51 0.70 0.00 0.00 175.22 174.72 2hwu s LEU 1090N 1.00 3.31 -0.07 -0.37 1.43 -0.58 -0.54 118.68 122.86 2hwu s LEU 1090Ca -0.02 -0.84 -0.19 0.00 -1.03 0.00 0.00 54.13 52.05 2hwu s LEU 1090Cb -0.15 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2hwu s LEU 1090CO -0.05 -0.14 0.53 -0.60 0.23 0.00 0.00 176.35 176.32 2hwu s ARG 1091N 1.36 4.31 -0.20 1.70 3.52 -0.76 0.12 118.95 129.00 2hwu s ARG 1091Ca 0.01 0.58 0.02 0.00 -0.13 0.00 0.00 55.73 56.20 2hwu s ARG 1091Cb -0.17 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2hwu s ARG 1091CO -0.03 0.24 -0.17 -1.50 -0.81 0.00 0.00 175.30 173.03 2hwu s ILE 1092N 0.30 2.08 0.25 4.11 -1.16 -1.22 -0.95 121.20 124.61 2hwu s ILE 1092Ca 0.29 -1.15 0.03 0.00 -0.51 0.00 0.00 60.65 59.31 2hwu s ILE 1092Cb -0.16 -1.98 -0.01 0.00 0.61 0.00 0.00 42.46 40.91 2hwu s ILE 1092CO 0.13 0.36 0.11 0.61 -2.81 0.00 0.00 174.94 173.34 2hwu n GLY 1093N 4.56 3.51 3.83 1.50 0.00 -0.52 -4.18 105.19 113.89 2hwu n GLY 1093Ca -0.19 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.60 2hwu n GLY 1093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hwu s THR 1094N -2.59 4.54 0.08 2.61 -4.23 -1.26 -1.85 115.64 112.94 2hwu s THR 1094Ca 0.16 -1.25 -0.14 0.00 -1.18 0.00 0.00 61.69 59.27 2hwu s THR 1094Cb 0.01 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.46 2hwu s THR 1094CO 0.11 -0.27 0.33 0.28 -0.54 0.00 0.00 174.62 174.54 2hwu s THR 1095N -1.99 0.09 -0.24 3.99 -1.32 -0.50 -4.83 115.64 110.84 2hwu s THR 1095Ca 0.32 -0.71 -0.05 0.00 -1.21 0.00 0.00 61.69 60.05 2hwu s THR 1095Cb -0.09 -1.10 -0.01 0.00 -1.51 0.00 0.00 72.50 69.79 2hwu s THR 1095CO 0.25 -0.39 0.00 -0.83 -2.21 0.00 0.00 174.62 171.44 2hwu s GLY 1096N -2.47 1.67 0.40 6.08 0.00 -1.04 -1.17 107.32 110.79 2hwu s GLY 1096Ca -0.00 -1.21 -0.22 0.00 0.00 0.00 0.00 44.72 43.28 2hwu s GLY 1096CO -0.08 0.49 0.95 0.00 0.00 0.00 0.00 173.10 174.47 2hwu s ALA 1097N 1.51 3.08 -0.42 3.20 0.00 -0.21 -0.86 121.76 128.06 2hwu s ALA 1097Ca 0.05 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.51 2hwu s ALA 1097Cb -0.15 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2hwu s ALA 1097CO -0.01 0.12 0.44 0.44 0.00 0.00 0.00 175.76 176.75 2hwu n ILE 1098N -0.29 0.00 -3.51 0.00 -5.35 -0.35 -0.77 119.36 109.09 2hwu n ILE 1098Ca 0.06 -0.45 -0.38 0.00 -0.27 0.00 0.00 62.75 61.70 2hwu n ILE 1098Cb 0.53 1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 39.42 2hwu n ILE 1098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2hwu s GLN 1099N -0.87 3.92 0.49 6.28 -1.52 -1.25 -4.77 119.66 121.95 2hwu s GLN 1099Ca 0.04 0.39 0.19 0.00 -1.95 0.00 0.00 55.36 54.03 2hwu s GLN 1099Cb 0.04 -3.23 1.22 0.00 -0.22 0.00 0.00 33.01 30.81 2hwu s GLN 1099CO 0.11 0.67 2.05 -1.35 -0.25 0.00 0.00 175.29 176.52 2hwu h PRO 1100N 4.82 0.00 -0.00 2.91 0.11 -1.97 -2.77 132.00 135.09 2hwu h PRO 1100Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2hwu h PRO 1100Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2hwu h PRO 1100CO 0.62 0.13 -0.09 -2.39 -0.21 0.00 0.00 178.00 176.07 2hwu n HIS 1101N -4.13 0.00 -3.49 0.65 1.44 -1.26 -4.70 115.22 103.72 2hwu n HIS 1101Ca -0.02 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.28 2hwu n HIS 1101Cb 0.21 -0.36 -0.10 0.00 0.12 0.00 0.00 29.99 29.86 2hwu n HIS 1101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2hwu s ILE 1102N -2.81 5.26 0.39 0.61 1.01 -1.05 -5.08 121.20 119.53 2hwu s ILE 1102Ca 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 2hwu s ILE 1102Cb 0.19 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 2hwu s ILE 1102CO 0.53 -0.10 0.63 0.20 0.00 0.00 0.00 174.94 176.20 2hwu s ASN 1103N 1.72 6.29 0.32 3.58 -0.87 -1.26 -4.84 114.94 119.87 2hwu s ASN 1103Ca 0.07 0.62 -0.29 0.00 -1.57 0.00 0.00 52.86 51.68 2hwu s ASN 1103Cb -0.18 -2.11 -0.11 0.00 -0.02 0.00 0.00 41.25 38.84 2hwu s ASN 1103CO 0.11 -0.39 1.48 -0.69 -2.57 0.00 0.00 177.10 175.03 2hwu s VAL 1104N -2.46 2.30 0.00 1.60 1.01 -1.26 -2.09 120.40 119.50 2hwu s VAL 1104Ca 0.42 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2hwu s VAL 1104Cb -0.10 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2hwu s VAL 1104CO 0.39 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2hwu n GLY 1105N 1.36 1.68 3.75 4.51 0.00 0.04 -5.01 105.19 111.52 2hwu n GLY 1105Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2hwu n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hwu s ASP 1106N -1.99 4.75 -0.16 1.61 -0.00 -0.89 -4.76 116.67 115.24 2hwu s ASP 1106Ca 0.00 2.22 -0.03 0.00 -0.00 0.00 0.00 52.55 54.74 2hwu s ASP 1106Cb 0.00 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.32 2hwu s ASP 1106CO 0.00 -1.88 -0.05 -0.69 -0.00 0.00 0.00 175.17 172.55 2hwu s VAL 1107N -2.05 3.72 -0.11 -1.27 1.01 0.05 -1.30 120.40 120.43 2hwu s VAL 1107Ca 0.72 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2hwu s VAL 1107Cb -0.26 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2hwu s VAL 1107CO 0.41 0.49 -0.16 -0.76 0.00 0.00 0.00 175.10 175.09 2hwu s LEU 1108N 0.43 2.57 -0.15 3.92 1.43 0.43 -1.24 118.68 126.08 2hwu s LEU 1108Ca -0.05 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2hwu s LEU 1108Cb -0.15 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2hwu s LEU 1108CO 0.03 0.18 -0.05 -0.69 0.23 0.00 0.00 176.35 176.06 2hwu s VAL 1109N 0.24 3.81 -0.19 -1.59 1.01 -0.08 -1.09 120.40 122.51 2hwu s VAL 1109Ca -0.10 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 2hwu s VAL 1109Cb -0.16 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2hwu s VAL 1109CO 0.06 0.50 0.42 -0.89 0.00 0.00 0.00 175.10 175.19 2hwu s THR 1110N 0.30 5.19 -0.08 3.92 2.01 -0.62 -2.01 115.64 124.35 2hwu s THR 1110Ca -0.04 0.76 -0.21 0.00 0.31 0.00 0.00 61.69 62.52 2hwu s THR 1110Cb -0.14 -3.75 -0.29 0.00 0.01 0.00 0.00 72.50 68.33 2hwu s THR 1110CO 0.03 0.26 0.73 0.71 -0.69 0.00 0.00 174.62 175.66 2hwu h THR 1111N 4.99 1.35 -3.07 -0.82 1.35 -1.58 -3.41 112.91 111.72 2hwu h THR 1111Ca -0.36 -2.46 -0.01 0.00 -0.55 0.00 0.00 66.41 63.03 2hwu h THR 1111Cb 1.16 3.01 -0.11 0.00 -1.73 0.00 0.00 68.15 70.48 2hwu h THR 1111CO 0.73 0.68 0.17 0.00 -0.25 0.00 0.00 175.52 176.84 2hwu s ALA 1112N -2.42 -1.40 0.11 6.62 0.00 -1.26 -0.62 121.76 122.80 2hwu s ALA 1112Ca -0.17 0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.12 2hwu s ALA 1112Cb 0.02 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 2hwu s ALA 1112CO 0.78 -0.80 -0.23 -1.12 0.00 0.00 0.00 175.76 174.39 2hwu s SER 1113N -2.80 3.55 -0.25 0.00 0.01 -0.57 -2.10 113.70 111.55 2hwu s SER 1113Ca 0.04 -0.65 -0.28 0.00 1.31 0.00 0.00 55.95 56.36 2hwu s SER 1113Cb -0.01 -0.37 0.01 0.00 0.21 0.00 0.00 66.02 65.86 2hwu s SER 1113CO -0.09 0.19 1.02 -0.69 0.41 0.00 0.00 173.24 174.08 2hwu s VAL 1114N -1.07 4.66 -1.22 3.43 1.01 0.95 -4.42 120.40 123.74 2hwu s VAL 1114Ca 0.15 1.89 -0.19 0.00 0.00 0.00 0.00 61.98 63.83 2hwu s VAL 1114Cb -0.10 -4.31 0.07 0.00 0.00 0.00 0.00 36.38 32.03 2hwu s VAL 1114CO 0.07 -0.24 1.66 -0.13 0.00 0.00 0.00 175.10 176.46 2hwu s ARG 1115N 3.26 3.88 -0.30 2.72 0.52 -1.26 -1.68 118.95 126.10 2hwu s ARG 1115Ca 0.43 -1.77 0.11 0.00 -0.52 0.00 0.00 55.73 53.98 2hwu s ARG 1115Cb -0.14 -5.48 0.78 0.00 0.52 0.00 0.00 34.95 30.62 2hwu s ARG 1115CO 0.08 -2.24 1.80 1.28 0.02 0.00 0.00 175.30 176.24 2hwu n LEU 1116N 8.48 6.01 -4.86 2.53 4.77 -0.48 -4.94 117.00 128.52 2hwu n LEU 1116Ca 0.44 -3.13 -0.25 0.00 -0.03 0.00 0.00 56.01 53.04 2hwu n LEU 1116Cb 0.47 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2hwu n LEU 1116CO 0.74 0.75 -0.02 1.51 -1.33 0.00 0.00 177.39 179.04 2hwu s ASP 1117N -0.96 4.65 -0.12 -1.43 3.84 -1.21 -2.43 116.67 119.02 2hwu s ASP 1117Ca 0.55 -1.12 0.08 0.00 -0.00 0.00 0.00 52.55 52.06 2hwu s ASP 1117Cb 0.44 0.01 -0.13 0.00 -1.38 0.00 0.00 42.92 41.86 2hwu s ASP 1117CO 0.14 -0.88 -0.01 0.61 -0.00 0.00 0.00 175.17 175.04 2hwu n GLY 1118N -1.58 -0.46 0.20 2.12 0.00 -1.26 -4.69 105.19 99.51 2hwu n GLY 1118Ca -0.01 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.88 2hwu n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwu h ALA 1119N 0.40 1.47 -0.48 4.61 0.00 -1.98 -2.67 119.26 120.61 2hwu h ALA 1119Ca -0.31 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.34 2hwu h ALA 1119Cb 1.64 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 2hwu h ALA 1119CO -0.00 0.39 0.32 0.66 0.00 0.00 0.00 179.25 180.62 2hwu h SER 1120N 0.00 0.51 0.57 0.00 4.64 -1.86 -1.38 113.55 116.04 2hwu h SER 1120Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2hwu h SER 1120Cb 0.56 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2hwu h SER 1120CO 0.04 0.37 0.00 0.18 -0.87 0.00 0.00 176.83 176.55 2hwu n LEU 1121N -4.47 0.41 -0.25 5.97 4.77 -1.01 -1.71 117.00 120.71 2hwu n LEU 1121Ca 0.05 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.77 2hwu n LEU 1121Cb 0.09 -0.57 0.65 0.00 -2.33 0.00 0.00 43.42 41.27 2hwu n LEU 1121CO 0.35 -0.49 0.94 1.41 -1.33 0.00 0.00 177.39 178.27 2hwu n HIS 1122N -1.97 0.03 0.00 -1.77 8.25 -0.52 -3.95 115.22 115.29 2hwu n HIS 1122Ca 0.02 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2hwu n HIS 1122Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 2hwu n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2hwu n PHE 1123N -0.35 0.00 -3.58 4.41 3.01 -0.69 -5.10 117.46 115.16 2hwu n PHE 1123Ca 0.20 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.52 2hwu n PHE 1123Cb 0.22 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.63 2hwu n PHE 1123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hwu s ALA 1124N -1.47 -1.86 0.96 4.37 0.00 -0.83 -4.99 121.76 117.95 2hwu s ALA 1124Ca 0.00 1.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.49 2hwu s ALA 1124Cb 0.00 -0.71 0.17 0.00 0.00 0.00 0.00 23.12 22.58 2hwu s ALA 1124CO 0.00 -0.32 1.10 -1.25 0.00 0.00 0.00 175.76 175.29 2hwu s PRO 1125N -0.58 0.72 0.61 0.00 0.04 -1.26 -3.82 135.00 130.71 2hwu s PRO 1125Ca -0.03 1.15 0.31 0.00 0.04 0.00 0.00 61.00 62.46 2hwu s PRO 1125Cb -0.02 -1.72 1.69 0.00 0.04 0.00 0.00 34.50 34.49 2hwu s PRO 1125CO 0.03 -2.71 2.04 1.98 0.04 0.00 0.00 177.00 178.38 2hwu h MET 1126N -1.90 0.00 0.00 4.56 4.05 -1.94 -1.08 114.93 118.62 2hwu h MET 1126Ca -0.49 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.86 2hwu h MET 1126Cb 1.28 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.07 2hwu h MET 1126CO 0.48 0.00 -0.33 0.93 0.23 0.00 0.00 176.91 178.22 2hwu h GLU 1127N 0.00 0.00 -6.70 0.39 3.07 -2.03 -3.44 114.58 105.87 2hwu h GLU 1127Ca 0.08 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.42 2hwu h GLU 1127Cb 0.62 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.58 2hwu h GLU 1127CO -0.00 0.33 0.70 0.12 -1.40 0.00 0.00 179.01 178.76 2hwu s PHE 1128N -3.73 3.16 0.12 4.33 2.19 -0.41 -4.98 117.98 118.67 2hwu s PHE 1128Ca -0.00 1.12 -0.30 0.00 0.33 0.00 0.00 56.93 58.08 2hwu s PHE 1128Cb 0.11 -3.69 -0.06 0.00 -1.31 0.00 0.00 43.02 38.07 2hwu s PHE 1128CO 0.67 -2.23 1.13 -1.25 1.83 0.00 0.00 175.22 175.38 2hwu s PRO 1129N -0.12 4.52 -1.57 10.12 0.04 -1.26 -4.93 135.00 141.79 2hwu s PRO 1129Ca 0.58 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 63.24 2hwu s PRO 1129Cb -0.39 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 2hwu s PRO 1129CO 0.39 -0.07 2.79 0.00 0.04 0.00 0.00 177.00 180.15 2hwu n ALA 1130N 3.10 7.16 -2.51 8.56 0.00 -1.26 -4.73 120.51 130.83 2hwu n ALA 1130Ca 0.05 -3.64 -0.35 0.00 0.00 0.00 0.00 53.44 49.50 2hwu n ALA 1130Cb 0.47 -3.35 -0.05 0.00 0.00 0.00 0.00 19.45 16.51 2hwu n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hwu s VAL 1131N 2.04 5.03 0.53 0.00 0.11 -1.26 -1.51 120.40 125.34 2hwu s VAL 1131Ca 0.65 0.55 -0.11 0.00 -2.93 0.00 0.00 61.98 60.14 2hwu s VAL 1131Cb 0.17 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 31.30 2hwu s VAL 1131CO -0.07 0.26 0.92 0.00 -3.33 0.00 0.00 175.10 172.89 2hwu s ALA 1132N -1.43 3.21 0.44 1.54 0.00 0.21 -4.65 121.76 121.08 2hwu s ALA 1132Ca 0.35 -0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.90 2hwu s ALA 1132Cb -0.14 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.00 2hwu s ALA 1132CO 0.18 -0.40 1.27 0.34 0.00 0.00 0.00 175.76 177.15 2hwu s ASP 1133N -3.77 6.15 0.08 0.00 -1.08 0.04 -4.95 116.67 113.14 2hwu s ASP 1133Ca 0.53 2.56 -0.20 0.00 -0.52 0.00 0.00 52.55 54.92 2hwu s ASP 1133Cb -0.10 -2.63 -0.10 0.00 -1.46 0.00 0.00 42.92 38.62 2hwu s ASP 1133CO 0.44 -0.95 1.56 0.15 0.52 0.00 0.00 175.17 176.89 2hwu h PHE 1134N 2.37 0.29 -0.33 -5.34 3.57 -1.97 -2.17 116.94 113.36 2hwu h PHE 1134Ca -0.50 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 60.92 2hwu h PHE 1134Cb 1.25 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2hwu h PHE 1134CO 0.52 0.42 0.02 0.00 -2.23 0.00 0.00 178.31 177.04 2hwu h ALA 1135N 0.84 1.41 -0.41 2.41 0.00 -1.96 0.24 119.26 121.78 2hwu h ALA 1135Ca 0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2hwu h ALA 1135Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2hwu h ALA 1135CO 0.00 0.42 -0.27 0.00 0.00 0.00 0.00 179.25 179.40 2hwu h THR 1137N 0.73 1.34 -0.69 0.00 2.02 -1.11 -2.42 112.91 112.78 2hwu h THR 1137Ca 0.08 -1.55 0.08 0.00 0.77 0.00 0.00 66.41 65.80 2hwu h THR 1137Cb 0.85 1.91 -0.07 0.00 -1.74 0.00 0.00 68.15 69.10 2hwu h THR 1137CO 0.07 0.47 0.35 0.74 0.37 0.00 0.00 175.52 177.53 2hwu h THR 1138N 0.17 0.88 -0.65 3.16 2.02 -0.94 -1.12 112.91 116.42 2hwu h THR 1138Ca 0.01 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2hwu h THR 1138Cb 0.90 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2hwu h THR 1138CO 0.07 0.11 0.32 0.00 0.37 0.00 0.00 175.52 176.39 2hwu h ALA 1139N 1.40 0.84 -0.40 6.16 0.00 -1.07 -2.11 119.26 124.08 2hwu h ALA 1139Ca 0.33 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2hwu h ALA 1139Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2hwu h ALA 1139CO -0.24 0.40 -0.18 -0.07 0.00 0.00 0.00 179.25 179.16 2hwu h LEU 1140N 0.90 0.85 -0.33 0.00 3.38 -0.97 -0.89 115.31 118.24 2hwu h LEU 1140Ca 0.22 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2hwu h LEU 1140Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2hwu h LEU 1140CO -0.03 1.06 0.08 0.58 0.09 0.00 0.00 178.44 180.22 2hwu h VAL 1141N 0.63 1.22 -0.67 1.22 2.07 -1.15 0.46 116.25 120.04 2hwu h VAL 1141Ca 0.09 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 2hwu h VAL 1141Cb 0.73 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2hwu h VAL 1141CO 0.06 0.25 0.25 -0.33 0.02 0.00 0.00 177.57 177.81 2hwu h GLU 1142N 0.38 1.02 -0.30 1.57 5.08 -1.38 -2.33 114.58 118.63 2hwu h GLU 1142Ca 0.11 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2hwu h GLU 1142Cb 0.29 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2hwu h GLU 1142CO 0.00 0.87 -0.06 0.00 -1.00 0.00 0.00 179.01 178.82 2hwu h ALA 1143N 1.11 1.35 -0.44 3.43 0.00 -0.94 -1.14 119.26 122.62 2hwu h ALA 1143Ca 0.22 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2hwu h ALA 1143Cb 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2hwu h ALA 1143CO -0.01 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2hwu h ALA 1144N 1.49 1.17 -0.26 0.00 0.00 -0.54 -1.37 119.26 119.75 2hwu h ALA 1144Ca 0.09 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2hwu h ALA 1144Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2hwu h ALA 1144CO 0.02 0.54 -0.37 0.87 0.00 0.00 0.00 179.25 180.31 2hwu h LYS 1145N 0.68 0.60 -0.54 0.00 1.57 -0.87 0.14 116.57 118.14 2hwu h LYS 1145Ca 0.14 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 2hwu h LYS 1145Cb 0.42 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2hwu h LYS 1145CO 0.02 0.88 -0.09 0.77 -0.57 0.00 0.00 179.45 180.45 2hwu h SER 1146N 0.50 1.00 0.63 0.86 0.02 -0.86 -3.12 113.55 112.59 2hwu h SER 1146Ca 0.05 -0.32 -0.27 0.00 -0.84 0.00 0.00 61.79 60.40 2hwu h SER 1146Cb 0.87 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2hwu h SER 1146CO 0.07 1.11 -1.24 0.40 -1.14 0.00 0.00 176.83 176.03 2hwu h ILE 1147N 0.90 1.50 -0.02 3.27 5.03 -1.25 -3.49 117.51 123.45 2hwu h ILE 1147Ca 0.14 -3.07 0.00 0.00 -0.12 0.00 0.00 64.86 61.82 2hwu h ILE 1147Cb 0.65 2.95 0.00 0.00 -3.03 0.00 0.00 36.82 37.38 2hwu h ILE 1147CO 0.04 0.90 0.00 0.61 -0.68 0.00 0.00 178.15 179.02 2hwu n GLY 1148N 1.53 1.46 3.84 5.37 0.00 0.42 -5.09 105.19 112.72 2hwu n GLY 1148Ca -0.08 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 2hwu n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwu s ALA 1149N -2.02 2.44 -0.55 4.61 0.00 -0.77 -5.01 121.76 120.47 2hwu s ALA 1149Ca 0.00 -0.31 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 2hwu s ALA 1149Cb 0.00 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.10 2hwu s ALA 1149CO 0.00 -1.59 0.90 0.99 0.00 0.00 0.00 175.76 176.07 2hwu s THR 1150N -3.27 4.45 -0.05 0.00 2.01 -1.26 -4.88 115.64 112.64 2hwu s THR 1150Ca 0.60 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.80 2hwu s THR 1150Cb -0.13 -4.51 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 2hwu s THR 1150CO 0.53 -1.09 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.34 2hwu s THR 1151N 3.79 3.07 -0.02 -0.82 2.01 -1.26 -0.77 115.64 121.63 2hwu s THR 1151Ca 0.28 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.63 2hwu s THR 1151Cb -0.13 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2hwu s THR 1151CO 0.18 0.59 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.47 2hwu s HIS 1152N -0.71 2.13 -0.17 4.92 3.76 -0.37 -4.98 115.29 119.88 2hwu s HIS 1152Ca 0.11 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.59 2hwu s HIS 1152Cb -0.11 -1.38 0.01 0.00 1.11 0.00 0.00 32.58 32.22 2hwu s HIS 1152CO 0.01 -0.06 -0.19 0.08 -0.85 0.00 0.00 174.74 173.72 2hwu s VAL 1153N -0.48 2.19 -2.18 -0.90 1.01 -1.26 -0.90 120.40 117.87 2hwu s VAL 1153Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2hwu s VAL 1153Cb -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2hwu s VAL 1153CO -0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2hwu n GLY 1154N 4.42 -0.62 3.76 4.51 0.00 -0.85 -4.97 105.19 111.44 2hwu n GLY 1154Ca -0.20 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 2hwu n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hwu s VAL 1155N -3.62 4.60 -0.01 1.61 1.01 -1.26 -1.41 120.40 121.32 2hwu s VAL 1155Ca 0.00 1.65 0.06 0.00 0.00 0.00 0.00 61.98 63.69 2hwu s VAL 1155Cb 0.00 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2hwu s VAL 1155CO 0.00 0.43 -0.20 -0.89 0.00 0.00 0.00 175.10 174.44 2hwu s THR 1156N -0.48 2.61 -0.31 3.92 2.01 -0.89 -0.18 115.64 122.33 2hwu s THR 1156Ca 0.37 -1.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.18 2hwu s THR 1156Cb -0.21 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 2hwu s THR 1156CO 0.24 0.52 0.58 0.00 -0.69 0.00 0.00 174.62 175.27 2hwu s ALA 1157N -0.74 3.53 -0.35 7.40 0.00 0.23 -0.03 121.76 131.79 2hwu s ALA 1157Ca 0.12 -0.71 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 2hwu s ALA 1157Cb -0.10 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2hwu s ALA 1157CO 0.01 -1.03 0.18 0.45 0.00 0.00 0.00 175.76 175.37 2hwu s SER 1158N 1.65 5.63 0.09 0.00 0.15 -0.68 -1.79 113.70 118.76 2hwu s SER 1158Ca 0.23 -0.88 0.04 0.00 0.70 0.00 0.00 55.95 56.04 2hwu s SER 1158Cb -0.15 -2.00 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 2hwu s SER 1158CO 0.12 -0.33 0.02 -0.55 1.20 0.00 0.00 173.24 173.70 2hwu s SER 1159N 1.55 5.15 0.00 5.45 0.15 0.39 -1.38 113.70 125.01 2hwu s SER 1159Ca 0.02 -0.14 0.29 0.00 0.70 0.00 0.00 55.95 56.82 2hwu s SER 1159Cb -0.19 -1.27 1.25 0.00 -1.71 0.00 0.00 66.02 64.11 2hwu s SER 1159CO 0.06 0.17 1.86 0.47 1.20 0.00 0.00 173.24 177.00 2hwu n ASP 1160N 0.49 1.05 -4.12 5.45 10.43 -1.02 -4.22 116.55 124.60 2hwu n ASP 1160Ca -0.10 -1.28 -0.14 0.00 2.57 0.00 0.00 54.79 55.84 2hwu n ASP 1160Cb 0.52 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 43.37 2hwu n ASP 1160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2hwu s THR 1161N -2.06 0.77 0.02 -3.53 -4.23 -1.26 -5.01 115.64 100.34 2hwu s THR 1161Ca 0.39 -1.37 0.10 0.00 -1.18 0.00 0.00 61.69 59.63 2hwu s THR 1161Cb 0.21 -1.02 -0.09 0.00 1.34 0.00 0.00 72.50 72.94 2hwu s THR 1161CO 0.36 -0.46 1.36 0.15 -0.54 0.00 0.00 174.62 175.50 2hwu h PHE 1162N 4.02 0.00 0.00 3.99 3.04 -1.97 -3.38 116.94 122.64 2hwu h PHE 1162Ca -0.37 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.58 2hwu h PHE 1162Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2hwu h PHE 1162CO 0.63 0.78 0.00 0.66 -2.02 0.00 0.00 178.31 178.37 2hwu n TYR 1163N -3.32 0.00 0.10 0.41 4.02 -1.26 -4.41 117.16 112.69 2hwu n TYR 1163Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.87 2hwu n TYR 1163Cb 0.84 0.00 0.20 0.00 -0.02 0.00 0.00 39.34 40.36 2hwu n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2hwu h PRO 1164N 0.00 0.22 0.00 -0.72 0.13 -1.86 0.25 132.00 130.01 2hwu h PRO 1164Ca 0.00 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 2hwu h PRO 1164Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2hwu h PRO 1164CO 0.00 0.65 -0.17 0.78 -0.23 0.00 0.00 178.00 179.03 2hwu h GLY 1165N 1.32 0.00 -3.02 1.56 0.00 -1.88 -1.72 103.07 99.33 2hwu h GLY 1165Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2hwu h GLY 1165CO 0.07 0.00 0.21 -1.06 0.00 0.00 0.00 176.54 175.77 2hwu n GLN 1166N -3.58 2.92 -4.27 4.80 6.02 -0.97 -4.95 117.38 117.36 2hwu n GLN 1166Ca -0.01 -3.06 -0.31 0.00 -0.01 0.00 0.00 57.00 53.61 2hwu n GLN 1166Cb 0.31 -2.06 -0.09 0.00 1.02 0.00 0.00 30.24 29.42 2hwu n GLN 1166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2hwu n GLU 1167N -0.61 -1.18 -3.29 -1.09 2.13 -0.65 -4.96 120.64 111.01 2hwu n GLU 1167Ca 0.39 0.12 -0.39 0.00 0.66 0.00 0.00 57.16 57.95 2hwu n GLU 1167Cb 1.28 -3.66 -0.07 0.00 0.27 0.00 0.00 31.44 29.27 2hwu n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2hwu s ARG 1168N -7.30 4.22 -0.01 5.31 0.52 0.85 -4.95 118.95 117.59 2hwu s ARG 1168Ca 0.01 0.39 0.21 0.00 -0.52 0.00 0.00 55.73 55.82 2hwu s ARG 1168Cb -0.01 -3.53 -0.27 0.00 0.52 0.00 0.00 34.95 31.67 2hwu s ARG 1168CO 0.99 -0.06 0.75 0.66 0.02 0.00 0.00 175.30 177.66 2hwu n TYR 1169N 4.47 0.00 -0.84 -0.53 4.02 -1.26 -4.33 117.16 118.69 2hwu n TYR 1169Ca -0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.62 2hwu n TYR 1169Cb 0.51 -0.17 -0.05 0.00 -0.02 0.00 0.00 39.34 39.60 2hwu n TYR 1169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2hwu n ASP 1170N -1.76 5.33 -4.40 7.72 5.75 -1.26 -4.09 116.55 123.83 2hwu n ASP 1170Ca 0.01 -2.33 -0.26 0.00 -0.01 0.00 0.00 54.79 52.21 2hwu n ASP 1170Cb 0.41 -1.16 -0.09 0.00 -1.03 0.00 0.00 41.12 39.25 2hwu n ASP 1170CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2hwu s THR 1171N 2.63 1.06 0.27 2.12 -4.23 -1.26 -5.04 115.64 111.19 2hwu s THR 1171Ca 0.48 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 2hwu s THR 1171Cb 0.15 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.71 2hwu s THR 1171CO -0.03 0.00 1.91 0.22 -0.54 0.00 0.00 174.62 176.18 2hwu h TYR 1172N 1.83 1.18 0.00 3.99 5.03 -1.99 -3.28 116.97 123.74 2hwu h TYR 1172Ca -0.40 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 60.94 2hwu h TYR 1172Cb 1.27 -0.39 -0.00 0.00 1.55 0.00 0.00 36.73 39.15 2hwu h TYR 1172CO 1.08 0.66 -0.00 1.03 -1.32 0.00 0.00 178.16 179.61 2hwu h SER 1173N 1.20 0.00 0.00 -2.11 0.87 -1.96 -3.48 113.55 108.07 2hwu h SER 1173Ca 0.40 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2hwu h SER 1173Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2hwu h SER 1173CO -0.14 0.78 0.00 0.61 -0.53 0.00 0.00 176.83 177.55 2hwu n GLY 1174N 1.69 2.17 3.93 5.77 0.00 -1.24 -5.03 105.19 112.48 2hwu n GLY 1174Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2hwu n GLY 1174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hwu s ARG 1175N -0.35 3.50 -0.05 1.61 1.70 -1.26 -4.89 118.95 119.21 2hwu s ARG 1175Ca 0.00 -0.41 0.01 0.00 -0.47 0.00 0.00 55.73 54.86 2hwu s ARG 1175Cb 0.00 -2.85 0.02 0.00 -0.57 0.00 0.00 34.95 31.55 2hwu s ARG 1175CO 0.00 0.40 -0.06 0.08 -1.08 0.00 0.00 175.30 174.64 2hwu s VAL 1176N -1.89 0.67 0.45 4.99 1.01 -1.26 -4.96 120.40 119.42 2hwu s VAL 1176Ca 0.38 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 2hwu s VAL 1176Cb -0.11 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.50 2hwu s VAL 1176CO 0.29 0.26 1.25 0.55 0.00 0.00 0.00 175.10 177.45 2hwu n VAL 1177N 4.07 2.78 -0.32 2.92 3.14 -1.26 -4.60 118.33 125.06 2hwu n VAL 1177Ca -0.23 -0.50 0.26 0.00 -2.96 0.00 0.00 64.34 60.91 2hwu n VAL 1177Cb 0.51 -1.54 0.49 0.00 -1.06 0.00 0.00 33.84 32.24 2hwu n VAL 1177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2hwu n ARG 1178N -0.15 -0.06 -0.26 1.45 0.63 -1.26 -0.93 116.66 116.08 2hwu n ARG 1178Ca 0.08 1.39 0.03 0.00 -0.92 0.00 0.00 57.85 58.43 2hwu n ARG 1178Cb 0.41 -2.41 0.17 0.00 0.45 0.00 0.00 32.46 31.08 2hwu n ARG 1178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2hwu h ARG 1179N 0.00 0.54 -0.12 -0.14 2.43 -2.01 -2.77 114.38 112.31 2hwu h ARG 1179Ca 0.76 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.90 2hwu h ARG 1179Cb 1.91 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 2hwu h ARG 1179CO -0.81 0.36 0.00 1.19 -1.51 0.00 0.00 179.97 179.20 2hwu n PHE 1180N -4.90 0.13 -2.09 2.20 3.01 -0.11 -4.77 117.46 110.92 2hwu n PHE 1180Ca 0.13 -0.07 -0.42 0.00 1.01 0.00 0.00 57.45 58.10 2hwu n PHE 1180Cb 0.34 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 2hwu n PHE 1180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2hwu s LYS 1181N -1.77 4.21 -1.45 -1.08 2.20 -1.05 -2.20 119.74 118.61 2hwu s LYS 1181Ca 0.29 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 2hwu s LYS 1181Cb 0.20 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 2hwu s LYS 1181CO 0.29 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 2hwu n GLY 1182N 3.96 0.88 0.15 5.54 0.00 -1.26 -4.92 105.19 109.55 2hwu n GLY 1182Ca 0.16 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 2hwu n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hwu h SER 1183N 0.00 0.68 -0.54 1.61 4.64 -1.74 -3.22 113.55 114.97 2hwu h SER 1183Ca -0.32 -0.80 0.08 0.00 -0.47 0.00 0.00 61.79 60.28 2hwu h SER 1183Cb 1.06 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 62.88 2hwu h SER 1183CO 0.43 1.40 0.20 -0.03 -0.87 0.00 0.00 176.83 177.95 2hwu h MET 1184N 0.04 0.37 -0.62 4.77 -1.53 -1.91 0.29 114.93 116.33 2hwu h MET 1184Ca -0.12 -0.02 0.07 0.00 -3.44 0.00 0.00 59.70 56.18 2hwu h MET 1184Cb 1.58 -0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 32.49 2hwu h MET 1184CO 0.17 0.24 0.32 1.49 0.14 0.00 0.00 176.91 179.27 2hwu h GLU 1185N 0.38 0.56 -0.38 0.39 4.81 -1.98 0.21 114.58 118.56 2hwu h GLU 1185Ca 0.27 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2hwu h GLU 1185Cb 0.30 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2hwu h GLU 1185CO -0.27 0.37 0.19 0.93 -0.73 0.00 0.00 179.01 179.51 2hwu h GLU 1186N 0.58 0.54 -0.81 1.92 5.08 -1.22 -0.94 114.58 119.73 2hwu h GLU 1186Ca 0.29 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2hwu h GLU 1186Cb 0.23 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2hwu h GLU 1186CO -0.21 0.47 0.36 -1.49 -1.00 0.00 0.00 179.01 177.14 2hwu h TRP 1187N 0.48 1.19 0.11 4.33 -0.00 -0.60 -1.80 115.95 119.67 2hwu h TRP 1187Ca 0.13 -0.07 0.01 0.00 -0.00 0.00 0.00 58.89 58.96 2hwu h TRP 1187Cb 0.10 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 28.87 2hwu h TRP 1187CO -0.02 0.88 -0.16 1.96 -0.00 0.00 0.00 178.44 181.11 2hwu h GLN 1188N 1.16 -0.31 0.00 0.49 4.20 -0.23 -1.20 115.11 119.23 2hwu h GLN 1188Ca 0.27 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 2hwu h GLN 1188Cb 0.16 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2hwu h GLN 1188CO -0.03 -0.20 -0.03 0.00 -0.67 0.00 0.00 178.83 177.89 2hwu h ALA 1189N 0.52 1.59 -0.12 3.87 0.00 -1.06 -0.17 119.26 123.90 2hwu h ALA 1189Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hwu h ALA 1189Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2hwu h ALA 1189CO -0.07 0.04 0.00 -1.33 0.00 0.00 0.00 179.25 177.89 2hwu n MET 1190N -3.99 1.49 -1.05 0.00 2.81 -0.69 -4.92 117.12 110.77 2hwu n MET 1190Ca -0.03 -0.74 -0.02 0.00 -1.81 0.00 0.00 57.70 55.11 2hwu n MET 1190Cb 0.12 -1.35 -0.01 0.00 -0.71 0.00 0.00 33.22 31.27 2hwu n MET 1190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hwu n GLY 1191N 1.01 0.53 3.73 3.03 0.00 -0.08 -4.99 105.19 108.42 2hwu n GLY 1191Ca 0.15 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2hwu n GLY 1191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hwu s VAL 1192N -1.93 2.24 0.03 1.61 1.01 -0.53 -4.60 120.40 118.23 2hwu s VAL 1192Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 2hwu s VAL 1192Cb 0.00 -3.12 -0.34 0.00 0.00 0.00 0.00 36.38 32.92 2hwu s VAL 1192CO 0.00 0.02 1.02 0.24 0.00 0.00 0.00 175.10 176.38 2hwu h MET 1193N 6.14 0.56 -2.91 2.72 0.00 -0.89 -3.41 114.93 117.13 2hwu h MET 1193Ca -0.44 -0.88 0.06 0.00 0.00 0.00 0.00 59.70 58.43 2hwu h MET 1193Cb 1.21 0.32 -0.08 0.00 0.00 0.00 0.00 31.60 33.05 2hwu h MET 1193CO 0.89 1.42 0.26 0.54 0.00 0.00 0.00 176.91 180.01 2hwu s ASN 1194N -7.51 -0.35 -0.11 1.22 4.22 -1.26 -1.21 114.94 109.94 2hwu s ASN 1194Ca -0.09 -0.39 -0.02 0.00 -2.14 0.00 0.00 52.86 50.22 2hwu s ASN 1194Cb 0.04 0.66 -0.03 0.00 1.28 0.00 0.00 41.25 43.20 2hwu s ASN 1194CO 0.94 -1.17 -0.02 -0.31 -2.04 0.00 0.00 177.10 174.50 2hwu s TYR 1195N -3.78 3.08 0.00 1.54 2.02 -0.04 -0.60 117.35 119.58 2hwu s TYR 1195Ca 0.08 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 2hwu s TYR 1195Cb -0.04 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 2hwu s TYR 1195CO 0.00 0.28 0.00 -0.85 -1.57 0.00 0.00 175.55 173.41 2hwu n GLU 1196N 2.65 0.00 0.00 -0.62 -0.00 -0.74 -2.49 120.64 119.44 2hwu n GLU 1196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2hwu n GLU 1196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2hwu n GLU 1196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2hwu n MET 1197N 0.00 1.10 0.00 3.44 2.81 -1.26 -0.46 117.12 122.75 2hwu n MET 1197Ca 0.00 -0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 2hwu n MET 1197Cb 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 2hwu n MET 1197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2hwu n GLU 1198N -0.22 2.34 -0.07 0.03 4.71 -1.26 -3.59 120.64 122.59 2hwu n GLU 1198Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 2hwu n GLU 1198Cb 0.06 -0.87 -0.01 0.00 -1.01 0.00 0.00 31.44 29.60 2hwu n GLU 1198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2hwu h SER 1199N 0.00 -0.25 -0.84 1.62 4.64 -1.95 -2.19 113.55 114.59 2hwu h SER 1199Ca 0.00 0.08 0.11 0.00 -0.47 0.00 0.00 61.79 61.51 2hwu h SER 1199Cb 0.42 0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 62.60 2hwu h SER 1199CO 0.00 -0.09 0.47 0.00 -0.87 0.00 0.00 176.83 176.35 2hwu h ALA 1200N 1.27 1.22 0.14 5.18 0.00 -1.89 0.35 119.26 125.53 2hwu h ALA 1200Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2hwu h ALA 1200Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2hwu h ALA 1200CO -0.28 0.06 -0.07 1.15 0.00 0.00 0.00 179.25 180.12 2hwu h THR 1201N 0.77 1.03 -0.02 0.00 2.02 -1.84 -2.40 112.91 112.47 2hwu h THR 1201Ca 0.42 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.78 2hwu h THR 1201Cb 0.44 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 2hwu h THR 1201CO -0.27 0.19 -0.16 0.25 0.37 0.00 0.00 175.52 175.90 2hwu h LEU 1202N -0.60 -0.46 -0.84 2.58 5.85 -0.86 -1.86 115.31 119.12 2hwu h LEU 1202Ca -0.02 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2hwu h LEU 1202Cb 0.46 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2hwu h LEU 1202CO 0.03 -0.22 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.80 2hwu h LEU 1203N -0.25 0.80 0.15 2.25 3.38 -0.41 -1.92 115.31 119.31 2hwu h LEU 1203Ca 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2hwu h LEU 1203Cb 0.33 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2hwu h LEU 1203CO -0.16 0.89 -0.07 0.74 0.09 0.00 0.00 178.44 179.92 2hwu h THR 1204N 0.76 0.99 0.00 0.22 2.02 -1.32 -2.17 112.91 113.40 2hwu h THR 1204Ca 0.14 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 2hwu h THR 1204Cb 0.52 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2hwu h THR 1204CO 0.03 0.19 -0.13 0.00 0.37 0.00 0.00 175.52 175.98 2hwu h MET 1205N -0.64 0.00 0.03 6.66 -0.00 -1.32 -0.67 114.93 118.99 2hwu h MET 1205Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.57 2hwu h MET 1205Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.07 2hwu h MET 1205CO 0.03 0.13 -0.58 0.00 -0.00 0.00 0.00 176.91 176.50 2hwu h ALA 1207N -0.12 1.11 -0.53 0.00 0.00 -1.27 0.72 119.26 119.16 2hwu h ALA 1207Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2hwu h ALA 1207Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2hwu h ALA 1207CO -0.03 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 2hwu n SER 1208N -3.31 3.21 -0.39 0.00 3.41 -0.27 -4.26 113.62 112.00 2hwu n SER 1208Ca -0.01 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2hwu n SER 1208Cb 0.24 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2hwu n SER 1208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hwu n GLN 1209N 1.27 0.00 -1.23 4.33 6.02 -0.98 -5.01 117.38 121.79 2hwu n GLN 1209Ca 0.20 -0.85 -0.08 0.00 -0.01 0.00 0.00 57.00 56.27 2hwu n GLN 1209Cb 0.53 -0.47 -0.03 0.00 1.02 0.00 0.00 30.24 31.28 2hwu n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hwu n GLY 1210N 0.00 0.98 3.88 1.08 0.00 -1.11 -5.02 105.19 104.99 2hwu n GLY 1210Ca 0.00 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 2hwu n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hwu s LEU 1211N -1.79 4.39 -0.04 0.99 1.43 0.21 -5.04 118.68 118.84 2hwu s LEU 1211Ca 0.00 0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 53.40 2hwu s LEU 1211Cb 0.00 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 2hwu s LEU 1211CO 0.00 0.37 0.58 -0.13 0.23 0.00 0.00 176.35 177.40 2hwu s ARG 1212N -1.23 4.32 -0.01 1.70 0.52 -0.39 -3.64 118.95 120.22 2hwu s ARG 1212Ca 0.19 0.68 0.00 0.00 -0.52 0.00 0.00 55.73 56.08 2hwu s ARG 1212Cb -0.13 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 31.98 2hwu s ARG 1212CO 0.08 0.29 0.00 0.00 0.02 0.00 0.00 175.30 175.69 2hwu s ALA 1213N 0.10 0.14 0.31 2.13 0.00 -1.26 -0.88 121.76 122.30 2hwu s ALA 1213Ca 0.31 0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.47 2hwu s ALA 1213Cb -0.17 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.74 2hwu s ALA 1213CO 0.16 -0.03 -0.12 0.20 0.00 0.00 0.00 175.76 175.96 2hwu s GLY 1214N 0.50 2.03 -0.11 0.00 0.00 0.30 -0.78 107.32 109.26 2hwu s GLY 1214Ca -0.04 -1.97 -0.04 0.00 0.00 0.00 0.00 44.72 42.67 2hwu s GLY 1214CO -0.01 -1.98 0.18 -0.29 0.00 0.00 0.00 173.10 171.00 2hwu s MET 1215N -3.58 0.07 0.01 2.90 0.00 -1.26 -1.82 119.30 115.62 2hwu s MET 1215Ca 0.32 0.49 0.04 0.00 0.00 0.00 0.00 55.69 56.54 2hwu s MET 1215Cb -0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 34.83 34.32 2hwu s MET 1215CO 0.16 -0.38 -0.14 0.54 0.00 0.00 0.00 175.02 175.21 2hwu s VAL 1216N 2.30 1.08 -0.01 10.11 0.11 -0.13 -1.59 120.40 132.28 2hwu s VAL 1216Ca 0.03 -0.75 -0.09 0.00 -2.93 0.00 0.00 61.98 58.25 2hwu s VAL 1216Cb -0.13 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 2hwu s VAL 1216CO -0.07 0.17 0.17 0.00 -3.33 0.00 0.00 175.10 172.04 2hwu s ALA 1217N -0.54 -0.42 -0.14 1.54 0.00 -0.25 -1.44 121.76 120.51 2hwu s ALA 1217Ca 0.04 -0.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 2hwu s ALA 1217Cb -0.06 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2hwu s ALA 1217CO 0.00 -0.21 0.16 0.20 0.00 0.00 0.00 175.76 175.91 2hwu s GLY 1218N -1.27 2.15 -0.24 0.00 0.00 -0.77 -0.42 107.32 106.76 2hwu s GLY 1218Ca -0.14 -0.62 -0.29 0.00 0.00 0.00 0.00 44.72 43.67 2hwu s GLY 1218CO 0.02 -0.17 1.22 0.14 0.00 0.00 0.00 173.10 174.31 2hwu s VAL 1219N -0.59 4.32 -1.06 1.40 1.01 -0.42 -1.41 120.40 123.65 2hwu s VAL 1219Ca 0.14 1.55 0.14 0.00 0.00 0.00 0.00 61.98 63.81 2hwu s VAL 1219Cb -0.12 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2hwu s VAL 1219CO 0.03 -0.30 0.71 2.30 0.00 0.00 0.00 175.10 177.83 2hwu n ILE 1220N 5.71 0.00 -3.61 2.22 -5.35 -0.32 -0.78 119.36 117.23 2hwu n ILE 1220Ca 0.14 -0.30 -0.14 0.00 -0.27 0.00 0.00 62.75 62.18 2hwu n ILE 1220Cb 0.46 1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 39.40 2hwu n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2hwu s VAL 1221N -1.88 0.00 -0.21 7.28 0.11 -1.24 -4.74 120.40 119.72 2hwu s VAL 1221Ca 0.09 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.09 2hwu s VAL 1221Cb 0.11 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2hwu s VAL 1221CO 0.41 0.00 0.03 0.21 -3.33 0.00 0.00 175.10 172.42 2hwu s ASN 1222N -0.03 5.02 0.00 3.54 3.84 -1.26 -1.05 114.94 125.00 2hwu s ASN 1222Ca -0.02 -0.16 0.26 0.00 0.21 0.00 0.00 52.86 53.16 2hwu s ASN 1222Cb -0.04 -1.87 1.50 0.00 -0.55 0.00 0.00 41.25 40.30 2hwu s ASN 1222CO 0.01 0.06 1.91 0.54 -2.79 0.00 0.00 177.10 176.83 2hwu n ARG 1223N 4.29 0.71 -0.03 0.43 5.12 0.05 -2.92 116.66 124.33 2hwu n ARG 1223Ca -0.17 0.01 -0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2hwu n ARG 1223Cb 0.52 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.25 2hwu n ARG 1223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2hwu n THR 1224N -1.07 0.33 -2.64 0.55 -2.24 -1.26 -5.04 114.28 102.91 2hwu n THR 1224Ca 0.18 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 2hwu n THR 1224Cb 0.12 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 2hwu n THR 1224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2hwu s GLN 1225N -2.39 4.06 -0.13 -0.78 -0.21 -1.15 -5.02 119.66 114.05 2hwu s GLN 1225Ca -0.04 1.10 -0.26 0.00 0.02 0.00 0.00 55.36 56.19 2hwu s GLN 1225Cb 0.04 -2.15 -0.26 0.00 1.00 0.00 0.00 33.01 31.64 2hwu s GLN 1225CO 0.36 -0.18 0.70 1.96 -2.12 0.00 0.00 175.29 176.01 2hwu h GLN 1226N 1.53 0.07 -6.27 2.91 4.20 -1.96 -3.46 115.11 112.12 2hwu h GLN 1226Ca -0.48 -0.12 -0.56 0.00 0.06 0.00 0.00 58.65 57.55 2hwu h GLN 1226Cb 1.19 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 2hwu h GLN 1226CO 0.61 1.06 0.77 -1.21 -0.67 0.00 0.00 178.83 179.39 2hwu s GLU 1227N -2.29 4.31 -0.20 1.46 2.02 -1.26 -5.03 118.70 117.71 2hwu s GLU 1227Ca -0.19 1.70 -0.05 0.00 0.02 0.00 0.00 54.97 56.45 2hwu s GLU 1227Cb -0.01 -3.62 -0.02 0.00 0.10 0.00 0.00 34.13 30.58 2hwu s GLU 1227CO 0.71 -0.54 -0.00 0.42 0.02 0.00 0.00 175.26 175.87 2hwu s ILE 1228N 2.62 3.94 0.92 -1.63 1.01 -1.26 -4.89 121.20 121.89 2hwu s ILE 1228Ca 0.56 -0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.76 2hwu s ILE 1228Cb -0.25 -2.78 0.03 0.00 0.01 0.00 0.00 42.46 39.47 2hwu s ILE 1228CO 0.20 0.43 0.44 -0.81 0.00 0.00 0.00 174.94 175.20 2hwu n PRO 1229N 4.22 -0.20 0.00 2.79 -0.04 -1.26 -5.02 135.00 135.49 2hwu n PRO 1229Ca -0.17 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2hwu n PRO 1229Cb 0.52 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2hwu n PRO 1229CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2hwu n ASN 1230N -1.22 -0.14 -0.25 3.54 2.04 -1.26 -4.73 115.26 113.23 2hwu n ASN 1230Ca 0.07 -0.20 0.05 0.00 -0.44 0.00 0.00 54.58 54.06 2hwu n ASN 1230Cb 0.53 0.00 0.17 0.00 -2.53 0.00 0.00 39.78 37.95 2hwu n ASN 1230CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2hwu h ALA 1231N -2.00 0.83 -0.37 -2.53 0.00 -2.05 -1.42 119.26 111.71 2hwu h ALA 1231Ca 0.00 0.22 -0.64 0.00 0.00 0.00 0.00 54.91 54.50 2hwu h ALA 1231Cb 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2hwu h ALA 1231CO 0.00 -0.41 2.32 -0.85 0.00 0.00 0.00 179.25 180.30 2hwu n GLU 1232N -5.30 3.79 -0.29 0.00 0.28 -1.26 -4.61 120.64 113.24 2hwu n GLU 1232Ca 0.14 -2.70 -0.04 0.00 -0.16 0.00 0.00 57.16 54.40 2hwu n GLU 1232Cb 0.48 -2.56 0.11 0.00 1.43 0.00 0.00 31.44 30.90 2hwu n GLU 1232CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2hwu h THR 1233N 2.58 1.25 0.01 3.84 1.35 -1.54 -3.31 112.91 117.08 2hwu h THR 1233Ca 0.67 -0.69 -0.42 0.00 -0.55 0.00 0.00 66.41 65.42 2hwu h THR 1233Cb 0.47 0.17 -0.07 0.00 -1.73 0.00 0.00 68.15 67.00 2hwu h THR 1233CO 1.37 0.30 -2.43 0.80 -0.25 0.00 0.00 175.52 175.31 2hwu n MET 1234N -4.31 0.63 -0.17 4.72 0.00 -1.26 -4.51 117.12 112.22 2hwu n MET 1234Ca 0.08 0.23 -0.01 0.00 -0.00 0.00 0.00 57.70 58.00 2hwu n MET 1234Cb 0.13 -1.53 0.02 0.00 0.00 0.00 0.00 33.22 31.84 2hwu n MET 1234CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2hwu n LYS 1235N -3.77 -0.10 0.00 2.12 4.76 -1.25 0.14 118.16 120.07 2hwu n LYS 1235Ca -0.49 0.66 0.07 0.00 -2.87 0.00 0.00 58.31 55.68 2hwu n LYS 1235Cb 0.93 -0.98 0.03 0.00 -1.84 0.00 0.00 35.03 33.17 2hwu n LYS 1235CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2hwu n GLN 1236N -4.63 1.47 0.11 1.97 6.02 -1.26 -3.29 117.38 117.77 2hwu n GLN 1236Ca 0.04 -1.03 -0.23 0.00 -0.01 0.00 0.00 57.00 55.77 2hwu n GLN 1236Cb 0.17 -1.24 -0.14 0.00 1.02 0.00 0.00 30.24 30.05 2hwu n GLN 1236CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2hwu h THR 1237N 2.16 1.30 -0.27 5.09 2.02 -0.61 -3.23 112.91 119.38 2hwu h THR 1237Ca 0.00 -2.55 0.04 0.00 0.77 0.00 0.00 66.41 64.67 2hwu h THR 1237Cb 0.54 2.87 -0.04 0.00 -1.74 0.00 0.00 68.15 69.78 2hwu h THR 1237CO 0.00 0.77 0.01 -0.08 0.37 0.00 0.00 175.52 176.59 2hwu h GLU 1238N 0.17 0.10 -0.33 6.66 4.81 0.11 -2.64 114.58 123.46 2hwu h GLU 1238Ca -0.21 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.11 2hwu h GLU 1238Cb 2.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.34 2hwu h GLU 1238CO 0.25 0.06 0.25 0.77 -0.73 0.00 0.00 179.01 179.61 2hwu h SER 1239N 0.10 0.00 0.05 1.04 0.02 -1.63 0.41 113.55 113.54 2hwu h SER 1239Ca 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2hwu h SER 1239Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2hwu h SER 1239CO -0.20 0.00 -0.03 0.45 -1.14 0.00 0.00 176.83 175.91 2hwu h HIS 1240N 0.00 -0.07 -0.42 3.45 3.86 -1.52 -2.93 115.15 117.53 2hwu h HIS 1240Ca 0.16 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 2hwu h HIS 1240Cb 0.65 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 2hwu h HIS 1240CO 0.00 0.46 -0.17 0.00 0.86 0.00 0.00 177.93 179.08 2hwu h ALA 1241N -0.39 0.92 -0.51 2.45 0.00 -1.11 -2.25 119.26 118.37 2hwu h ALA 1241Ca -0.01 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 2hwu h ALA 1241Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2hwu h ALA 1241CO 0.01 0.62 -0.17 0.28 0.00 0.00 0.00 179.25 179.99 2hwu h VAL 1242N 0.70 1.27 0.00 0.00 2.07 -0.37 -1.62 116.25 118.30 2hwu h VAL 1242Ca 0.11 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 2hwu h VAL 1242Cb 0.67 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2hwu h VAL 1242CO 0.05 0.47 -0.26 0.50 0.02 0.00 0.00 177.57 178.34 2hwu h LYS 1243N 0.88 0.00 0.05 1.57 3.11 -1.36 -2.77 116.57 118.05 2hwu h LYS 1243Ca 0.12 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.87 2hwu h LYS 1243Cb 0.75 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.99 2hwu h LYS 1243CO 0.06 0.26 -0.38 0.82 -2.81 0.00 0.00 179.45 177.40 2hwu h ILE 1244N 0.00 1.60 -0.65 2.00 2.04 -1.19 -2.77 117.51 118.55 2hwu h ILE 1244Ca -0.00 -2.26 0.03 0.00 1.00 0.00 0.00 64.86 63.63 2hwu h ILE 1244Cb 0.52 3.08 -0.04 0.00 -0.74 0.00 0.00 36.82 39.64 2hwu h ILE 1244CO 0.03 0.62 0.43 1.62 0.00 0.00 0.00 178.15 180.85 2hwu h VAL 1245N -0.57 1.11 -0.28 1.67 3.04 -1.26 0.24 116.25 120.20 2hwu h VAL 1245Ca -0.06 -0.27 -0.12 0.00 -1.01 0.00 0.00 66.70 65.24 2hwu h VAL 1245Cb 1.23 0.25 -0.00 0.00 -2.01 0.00 0.00 31.29 30.75 2hwu h VAL 1245CO 0.07 0.14 -0.29 0.58 -1.01 0.00 0.00 177.57 177.07 2hwu h VAL 1246N 0.79 1.30 -0.38 1.51 2.07 -1.60 -2.28 116.25 117.67 2hwu h VAL 1246Ca 0.25 -1.46 -0.09 0.00 0.82 0.00 0.00 66.70 66.22 2hwu h VAL 1246Cb 0.03 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2hwu h VAL 1246CO -0.07 0.46 -0.15 -0.08 0.02 0.00 0.00 177.57 177.75 2hwu h GLU 1247N 0.43 0.69 -0.57 1.57 4.57 -1.06 -2.65 114.58 117.56 2hwu h GLU 1247Ca 0.04 -0.24 -0.07 0.00 -1.18 0.00 0.00 59.36 57.92 2hwu h GLU 1247Cb 0.86 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 2hwu h GLU 1247CO 0.07 0.81 0.07 0.00 -1.18 0.00 0.00 179.01 178.78 2hwu h ALA 1248N 1.21 1.06 -0.12 2.92 0.00 -0.53 -2.97 119.26 120.83 2hwu h ALA 1248Ca 0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2hwu h ALA 1248Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2hwu h ALA 1248CO 0.04 0.60 -0.15 0.00 0.00 0.00 0.00 179.25 179.74 2hwu h ALA 1249N 1.20 1.52 -0.95 0.00 0.00 -1.06 -2.63 119.26 117.35 2hwu h ALA 1249Ca 0.18 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2hwu h ALA 1249Cb 0.41 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2hwu h ALA 1249CO 0.01 0.34 0.61 0.00 0.00 0.00 0.00 179.25 180.21 2hwu h ARG 1250N 0.18 0.94 -0.80 0.00 3.08 -1.33 -2.10 114.38 114.35 2hwu h ARG 1250Ca 0.04 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 2hwu h ARG 1250Cb 0.39 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 2hwu h ARG 1250CO 0.02 0.62 0.11 0.54 -1.07 0.00 0.00 179.97 180.19 2hwu n ARG 1251N -4.55 3.05 -0.07 0.04 1.74 -0.99 -3.79 116.66 112.09 2hwu n ARG 1251Ca 0.16 -1.98 0.00 0.00 -0.77 0.00 0.00 57.85 55.27 2hwu n ARG 1251Cb 0.30 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 2hwu n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2hwu n LEU 1252N 0.15 0.31 -0.34 0.55 4.77 -0.79 -4.97 117.00 116.69 2hwu n LEU 1252Ca 0.23 -0.47 0.15 0.00 -0.03 0.00 0.00 56.01 55.88 2hwu n LEU 1252Cb 0.96 -0.01 0.65 0.00 -2.33 0.00 0.00 43.42 42.69 2hwu n LEU 1252CO 0.25 0.12 0.94 0.18 -1.33 0.00 0.00 177.39 177.55