#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khg s ILE 1002N 0.00 -0.02 -0.09 -0.61 1.01 -1.26 -4.49 121.20 115.74 3khg s ILE 1002Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 3khg s ILE 1002Cb 0.00 -0.12 0.03 0.00 0.01 0.00 0.00 42.46 42.38 3khg s ILE 1002CO 0.00 0.03 -0.02 -0.69 0.00 0.00 0.00 174.94 174.26 3khg s VAL 1003N 0.41 0.57 -0.31 2.92 1.01 -0.58 -1.85 120.40 122.58 3khg s VAL 1003Ca -0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 3khg s VAL 1003Cb -0.04 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3khg s VAL 1003CO -0.01 0.28 0.18 -0.22 0.00 0.00 0.00 175.10 175.33 3khg s LEU 1004N 1.89 4.15 -0.09 3.92 0.20 -0.79 -2.79 118.68 125.16 3khg s LEU 1004Ca 0.05 -0.31 0.01 0.00 0.69 0.00 0.00 54.13 54.56 3khg s LEU 1004Cb -0.12 -2.07 -0.02 0.00 -0.43 0.00 0.00 46.19 43.54 3khg s LEU 1004CO -0.06 -0.15 -0.10 0.12 -0.29 0.00 0.00 176.35 175.87 3khg s PHE 1005N 1.69 2.85 -0.15 5.38 5.36 -0.24 -1.03 117.98 131.84 3khg s PHE 1005Ca 0.06 -0.25 -0.00 0.00 -0.96 0.00 0.00 56.93 55.78 3khg s PHE 1005Cb -0.17 -1.76 0.03 0.00 -0.34 0.00 0.00 43.02 40.79 3khg s PHE 1005CO 0.09 0.10 -0.08 0.08 -1.46 0.00 0.00 175.22 173.94 3khg s VAL 1006N -0.31 1.22 -0.24 3.12 1.01 -0.77 -0.32 120.40 124.12 3khg s VAL 1006Ca 0.03 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3khg s VAL 1006Cb -0.13 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 35.00 3khg s VAL 1006CO 0.03 0.25 -0.13 -0.62 0.00 0.00 0.00 175.10 174.63 3khg s ASP 1007N 1.60 4.10 0.38 3.32 -1.08 -0.74 -1.72 116.67 122.53 3khg s ASP 1007Ca 0.02 -1.17 -0.27 0.00 -0.52 0.00 0.00 52.55 50.61 3khg s ASP 1007Cb -0.14 -1.54 -0.09 0.00 -1.46 0.00 0.00 42.92 39.68 3khg s ASP 1007CO -0.08 -0.14 1.32 -0.36 0.52 0.00 0.00 175.17 176.42 3khg s PHE 1008N 1.16 2.89 0.11 -5.34 0.08 0.24 -2.52 117.98 114.61 3khg s PHE 1008Ca -0.05 1.40 -0.30 0.00 0.12 0.00 0.00 56.93 58.10 3khg s PHE 1008Cb -0.18 -3.70 -0.06 0.00 -0.57 0.00 0.00 43.02 38.51 3khg s PHE 1008CO -0.07 -2.06 0.95 -0.51 -0.10 0.00 0.00 175.22 173.43 3khg s ASP 1009N -0.61 7.49 0.00 1.36 1.01 -1.08 -4.59 116.67 120.26 3khg s ASP 1009Ca 0.54 1.78 0.00 0.00 0.71 0.00 0.00 52.55 55.58 3khg s ASP 1009Cb -0.39 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 40.96 3khg s ASP 1009CO 0.51 -0.05 0.00 0.00 0.21 0.00 0.00 175.17 175.84 3khg n TYR 1010N 2.72 0.00 0.00 4.23 -0.00 -1.26 -4.61 117.16 118.24 3khg n TYR 1010Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 3khg n TYR 1010Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.83 3khg n TYR 1010CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3khg n PHE 1011N 0.00 0.00 -0.20 -3.48 7.35 -1.26 -4.72 117.46 115.16 3khg n PHE 1011Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 3khg n PHE 1011Cb 0.00 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.85 3khg n PHE 1011CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 3khg h TYR 1012N 0.00 -0.74 -0.49 -5.13 0.05 -1.92 1.58 116.97 110.31 3khg h TYR 1012Ca 0.00 0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 3khg h TYR 1012Cb 0.00 0.41 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 3khg h TYR 1012CO 0.00 -0.35 0.30 0.00 -1.05 0.00 0.00 178.16 177.06 3khg h ALA 1013N 1.17 0.63 -0.69 3.88 0.00 -1.84 -2.46 119.26 119.94 3khg h ALA 1013Ca 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3khg h ALA 1013Cb 0.53 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3khg h ALA 1013CO -0.66 0.11 0.41 0.37 0.00 0.00 0.00 179.25 179.48 3khg h GLN 1014N 0.66 0.94 -0.71 0.00 4.15 0.01 -2.33 115.11 117.83 3khg h GLN 1014Ca 0.18 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3khg h GLN 1014Cb -0.02 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.43 3khg h GLN 1014CO -0.03 0.67 0.45 0.28 -1.93 0.00 0.00 178.83 178.27 3khg h VAL 1015N 0.94 1.19 -0.55 2.39 2.07 0.21 0.28 116.25 122.79 3khg h VAL 1015Ca 0.25 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3khg h VAL 1015Cb -0.03 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 3khg h VAL 1015CO -0.05 0.19 0.25 -0.33 0.02 0.00 0.00 177.57 177.66 3khg h GLU 1016N 0.98 0.78 -0.82 1.57 4.39 -0.97 -1.89 114.58 118.63 3khg h GLU 1016Ca 0.26 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3khg h GLU 1016Cb -0.08 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.39 3khg h GLU 1016CO -0.05 0.62 0.52 0.93 -1.16 0.00 0.00 179.01 179.87 3khg h GLU 1017N 0.78 1.09 0.34 2.33 5.08 -0.48 0.31 114.58 124.02 3khg h GLU 1017Ca 0.19 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3khg h GLU 1017Cb 0.10 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3khg h GLU 1017CO -0.02 0.74 -0.16 0.28 -1.00 0.00 0.00 179.01 178.84 3khg h VAL 1018N 1.11 0.64 0.00 3.13 2.07 -0.95 -1.79 116.25 120.46 3khg h VAL 1018Ca 0.30 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3khg h VAL 1018Cb -0.10 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3khg h VAL 1018CO -0.06 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.81 3khg n LEU 1019N -5.17 0.00 -3.26 2.57 4.32 -0.75 -3.91 117.00 110.80 3khg n LEU 1019Ca -0.10 0.49 -0.06 0.00 -0.02 0.00 0.00 56.01 56.33 3khg n LEU 1019Cb 0.27 -0.49 -0.03 0.00 -1.62 0.00 0.00 43.42 41.54 3khg n LEU 1019CO 0.31 -0.39 -0.00 0.21 -1.22 0.00 0.00 177.39 176.29 3khg s ASN 1020N -2.99 -0.55 0.00 -1.43 3.84 0.11 -5.03 114.94 108.89 3khg s ASN 1020Ca 0.03 -1.07 0.25 0.00 0.21 0.00 0.00 52.86 52.28 3khg s ASN 1020Cb 0.04 1.45 1.49 0.00 -0.55 0.00 0.00 41.25 43.68 3khg s ASN 1020CO 0.11 -0.20 1.86 -2.65 -2.79 0.00 0.00 177.10 173.42 3khg n PRO 1021N 4.36 0.80 0.10 0.43 -0.02 -0.69 -2.28 135.00 137.70 3khg n PRO 1021Ca 0.11 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.70 3khg n PRO 1021Cb 0.53 -1.49 0.45 0.00 -0.02 0.00 0.00 33.50 32.97 3khg n PRO 1021CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3khg n SER 1022N -0.99 0.54 -0.50 2.55 3.41 -1.26 -2.67 113.62 114.70 3khg n SER 1022Ca 0.19 0.63 0.05 0.00 -0.26 0.00 0.00 58.87 59.47 3khg n SER 1022Cb 0.09 -0.74 0.13 0.00 -0.26 0.00 0.00 64.21 63.42 3khg n SER 1022CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3khg n LEU 1023N -2.09 1.44 -4.76 1.04 4.32 -0.97 -4.97 117.00 111.01 3khg n LEU 1023Ca 0.03 -0.72 -0.40 0.00 -0.02 0.00 0.00 56.01 54.90 3khg n LEU 1023Cb 0.23 -0.18 -0.04 0.00 -1.62 0.00 0.00 43.42 41.82 3khg n LEU 1023CO 0.19 0.36 0.82 -0.75 -1.22 0.00 0.00 177.39 176.79 3khg s LYS 1024N -1.65 4.58 0.00 3.23 2.47 -1.09 -3.61 119.74 123.67 3khg s LYS 1024Ca 0.19 1.86 0.00 0.00 -1.56 0.00 0.00 55.97 56.46 3khg s LYS 1024Cb 0.10 -3.15 0.00 0.00 -1.46 0.00 0.00 37.83 33.32 3khg s LYS 1024CO 0.13 0.14 0.00 0.41 0.16 0.00 0.00 175.35 176.19 3khg n GLY 1025N 1.11 0.75 3.34 5.54 0.00 -1.26 -4.97 105.19 109.69 3khg n GLY 1025Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3khg n GLY 1025CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3khg s LYS 1026N -0.22 1.37 -0.31 1.61 -2.85 -1.24 -4.96 119.74 113.13 3khg s LYS 1026Ca 0.00 -1.70 -0.29 0.00 -1.00 0.00 0.00 55.97 52.98 3khg s LYS 1026Cb 0.00 -0.65 0.01 0.00 -2.06 0.00 0.00 37.83 35.13 3khg s LYS 1026CO 0.00 -0.10 1.25 -1.25 0.10 0.00 0.00 175.35 175.35 3khg s PRO 1027N -3.86 3.93 -0.16 1.78 0.04 -1.26 -4.82 135.00 130.65 3khg s PRO 1027Ca 0.29 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 3khg s PRO 1027Cb 0.06 -3.86 -0.02 0.00 0.04 0.00 0.00 34.50 30.72 3khg s PRO 1027CO 0.09 -1.10 -0.07 0.08 0.04 0.00 0.00 177.00 176.05 3khg s VAL 1028N 4.25 3.54 -0.22 -0.36 1.01 -1.26 -2.46 120.40 124.90 3khg s VAL 1028Ca 0.54 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3khg s VAL 1028Cb -0.15 -2.54 0.05 0.00 0.00 0.00 0.00 36.38 33.73 3khg s VAL 1028CO 0.22 0.49 -0.11 -0.69 0.00 0.00 0.00 175.10 175.01 3khg s VAL 1029N 0.56 1.81 -0.19 2.92 1.01 -0.87 -1.61 120.40 124.04 3khg s VAL 1029Ca -0.05 -1.21 -0.24 0.00 0.00 0.00 0.00 61.98 60.49 3khg s VAL 1029Cb -0.15 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3khg s VAL 1029CO 0.03 0.11 0.77 -0.69 0.00 0.00 0.00 175.10 175.32 3khg s VAL 1030N 1.31 4.92 0.18 2.92 1.01 -0.45 -2.13 120.40 128.15 3khg s VAL 1030Ca -0.03 1.49 0.10 0.00 0.00 0.00 0.00 61.98 63.53 3khg s VAL 1030Cb -0.17 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3khg s VAL 1030CO -0.07 0.04 -0.14 0.00 0.00 0.00 0.00 175.10 174.93 3khg s VAL 1032N -1.69 4.08 0.08 0.00 1.01 -0.64 -1.64 120.40 121.59 3khg s VAL 1032Ca 0.24 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 3khg s VAL 1032Cb -0.09 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 3khg s VAL 1032CO 0.14 0.44 0.41 -0.36 0.00 0.00 0.00 175.10 175.72 3khg s PHE 1033N 0.84 3.59 0.00 5.22 0.08 -1.26 -2.37 117.98 124.08 3khg s PHE 1033Ca 0.01 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.87 3khg s PHE 1033Cb -0.14 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 3khg s PHE 1033CO 0.02 0.52 0.03 0.45 -0.10 0.00 0.00 175.22 176.14 3khg n SER 1034N 0.96 0.00 0.00 1.36 2.88 -0.36 -4.98 113.62 113.48 3khg n SER 1034Ca -0.08 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3khg n SER 1034Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3khg n SER 1034CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3khg n GLY 1035N 1.26 0.81 2.60 0.46 0.00 -1.26 -4.96 105.19 104.09 3khg n GLY 1035Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3khg n GLY 1035CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khg n ARG 1036N 0.00 3.18 0.00 1.61 1.74 -1.26 -4.89 116.66 117.05 3khg n ARG 1036Ca 0.00 -4.11 0.00 0.00 -0.77 0.00 0.00 57.85 52.97 3khg n ARG 1036Cb 0.00 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.18 3khg n ARG 1036CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 3khg n PHE 1037N -0.53 0.00 -1.21 -1.55 -0.00 -1.26 -4.73 117.46 108.18 3khg n PHE 1037Ca 0.45 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.45 3khg n PHE 1037Cb 0.53 -0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.96 3khg n PHE 1037CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3khg n GLU 1038N 1.95 0.00 -1.05 3.97 2.13 -1.26 -1.44 120.64 124.94 3khg n GLU 1038Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 3khg n GLU 1038Cb 0.00 -1.05 -0.01 0.00 0.27 0.00 0.00 31.44 30.65 3khg n GLU 1038CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3khg n ASP 1039N 1.45 -4.52 -4.52 4.31 9.92 -1.26 -4.99 116.55 116.94 3khg n ASP 1039Ca 0.16 0.04 -0.38 0.00 -0.53 0.00 0.00 54.79 54.08 3khg n ASP 1039Cb 0.13 -2.18 -0.11 0.00 -0.64 0.00 0.00 41.12 38.32 3khg n ASP 1039CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3khg s SER 1040N -2.14 5.71 0.00 -2.24 1.04 -0.52 -3.76 113.70 111.78 3khg s SER 1040Ca 0.00 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3khg s SER 1040Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.07 3khg s SER 1040CO 0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 3khg n GLY 1041N 5.02 -0.80 3.62 7.32 0.00 -1.26 -1.22 105.19 117.85 3khg n GLY 1041Ca -0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 3khg n GLY 1041CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khg s ALA 1042N -1.00 -1.93 0.25 4.61 0.00 -1.00 -3.57 121.76 119.12 3khg s ALA 1042Ca 0.00 1.79 -0.30 0.00 0.00 0.00 0.00 51.96 53.45 3khg s ALA 1042Cb 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 23.12 21.85 3khg s ALA 1042CO 0.00 -0.27 1.49 0.08 0.00 0.00 0.00 175.76 177.06 3khg s VAL 1043N -0.14 2.54 -0.20 0.00 1.01 -0.40 -1.63 120.40 121.59 3khg s VAL 1043Ca 0.01 0.45 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 3khg s VAL 1043Cb -0.04 -3.28 -0.15 0.00 0.00 0.00 0.00 36.38 32.91 3khg s VAL 1043CO -0.03 0.07 0.11 0.00 0.00 0.00 0.00 175.10 175.24 3khg n ALA 1044N 2.53 0.72 -3.64 5.51 0.00 0.42 -0.75 120.51 125.30 3khg n ALA 1044Ca 0.08 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 3khg n ALA 1044Cb 0.39 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 3khg n ALA 1044CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3khg s THR 1045N -2.34 0.00 0.01 0.00 -1.32 -0.84 -4.53 115.64 106.62 3khg s THR 1045Ca -0.26 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.25 3khg s THR 1045Cb 0.05 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 3khg s THR 1045CO 0.50 0.00 -0.03 0.00 -2.21 0.00 0.00 174.62 172.88 3khg s ALA 1046N 0.36 3.16 1.27 11.08 0.00 -1.26 -1.34 121.76 135.03 3khg s ALA 1046Ca 0.01 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 3khg s ALA 1046Cb -0.05 -1.23 0.31 0.00 0.00 0.00 0.00 23.12 22.15 3khg s ALA 1046CO -0.04 0.64 1.08 0.54 0.00 0.00 0.00 175.76 177.97 3khg s ASN 1047N -1.55 0.33 0.36 0.00 2.20 -0.63 -4.72 114.94 110.92 3khg s ASN 1047Ca 0.19 0.59 0.19 0.00 -0.94 0.00 0.00 52.86 52.89 3khg s ASN 1047Cb -0.11 -0.79 0.34 0.00 -2.00 0.00 0.00 41.25 38.69 3khg s ASN 1047CO 0.10 -4.48 1.58 1.88 -2.94 0.00 0.00 177.10 173.23 3khg h TYR 1048N -2.83 0.00 -0.32 1.54 -1.99 -1.94 -2.11 116.97 109.32 3khg h TYR 1048Ca -0.43 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.28 3khg h TYR 1048Cb 1.30 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.01 3khg h TYR 1048CO -2.70 0.32 0.10 1.49 -0.00 0.00 0.00 178.16 177.37 3khg h GLU 1049N 0.00 0.45 0.06 4.88 4.57 -1.92 -1.89 114.58 120.73 3khg h GLU 1049Ca -0.00 -0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 57.88 3khg h GLU 1049Cb 1.14 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3khg h GLU 1049CO 0.04 0.40 -1.08 0.00 -1.18 0.00 0.00 179.01 177.20 3khg h ALA 1050N 1.66 0.27 -0.04 2.92 0.00 -1.75 -3.36 119.26 118.96 3khg h ALA 1050Ca 0.11 -0.82 -0.16 0.00 0.00 0.00 0.00 54.91 54.04 3khg h ALA 1050Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3khg h ALA 1050CO -0.01 0.96 -0.70 0.00 0.00 0.00 0.00 179.25 179.50 3khg h ARG 1051N 0.10 0.22 -0.97 0.00 3.08 -1.13 -2.40 114.38 113.28 3khg h ARG 1051Ca -0.09 -0.18 0.28 0.00 0.07 0.00 0.00 59.98 60.07 3khg h ARG 1051Cb 1.77 0.04 -0.14 0.00 0.08 0.00 0.00 29.97 31.71 3khg h ARG 1051CO 0.17 0.83 0.48 0.87 -1.07 0.00 0.00 179.97 181.25 3khg h LYS 1052N 0.15 0.32 -0.56 0.04 1.57 -1.49 -1.04 116.57 115.55 3khg h LYS 1052Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3khg h LYS 1052Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3khg h LYS 1052CO 0.11 0.21 0.00 1.19 -0.57 0.00 0.00 179.45 180.39 3khg n PHE 1053N -5.08 1.67 -0.36 -1.35 3.72 -1.10 -4.94 117.46 110.02 3khg n PHE 1053Ca 0.28 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 3khg n PHE 1053Cb 0.86 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3khg n PHE 1053CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khg n GLY 1054N 0.70 0.68 3.55 1.37 0.00 -0.39 -4.96 105.19 106.14 3khg n GLY 1054Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3khg n GLY 1054CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khg s VAL 1055N -2.71 3.72 0.41 1.61 1.01 -0.92 -4.97 120.40 118.55 3khg s VAL 1055Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3khg s VAL 1055Cb 0.00 -4.82 -0.06 0.00 0.00 0.00 0.00 36.38 31.50 3khg s VAL 1055CO 0.00 -1.74 0.13 -1.59 0.00 0.00 0.00 175.10 171.90 3khg s LYS 1056N 5.74 2.15 0.42 2.72 -2.85 -1.26 -3.94 119.74 122.72 3khg s LYS 1056Ca 0.42 -1.93 -0.26 0.00 -1.00 0.00 0.00 55.97 53.21 3khg s LYS 1056Cb -0.06 -1.88 -0.09 0.00 -2.06 0.00 0.00 37.83 33.74 3khg s LYS 1056CO 0.09 -0.10 1.43 0.00 0.10 0.00 0.00 175.35 176.86 3khg s ALA 1057N -2.63 3.34 -0.47 0.59 0.00 -1.26 -3.78 121.76 117.55 3khg s ALA 1057Ca 0.39 1.46 -0.02 0.00 0.00 0.00 0.00 51.96 53.79 3khg s ALA 1057Cb 0.06 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3khg s ALA 1057CO 0.21 -1.10 0.41 0.41 0.00 0.00 0.00 175.76 175.69 3khg n GLY 1058N 0.56 0.31 3.14 0.00 0.00 0.07 -4.97 105.19 104.31 3khg n GLY 1058Ca 0.04 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 3khg n GLY 1058CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3khg s ILE 1059N -3.12 0.96 0.36 -0.61 -4.36 -1.25 -4.91 121.20 108.27 3khg s ILE 1059Ca 0.13 -1.25 -0.26 0.00 -0.26 0.00 0.00 60.65 59.01 3khg s ILE 1059Cb -0.06 -0.96 -0.12 0.00 1.25 0.00 0.00 42.46 42.57 3khg s ILE 1059CO 0.26 -0.27 1.02 -2.65 0.24 0.00 0.00 174.94 173.55 3khg n PRO 1060N 1.31 1.41 -0.35 0.37 -0.02 -1.26 -1.28 135.00 135.19 3khg n PRO 1060Ca -0.22 0.50 -0.01 0.00 -2.02 0.00 0.00 63.50 61.76 3khg n PRO 1060Cb 0.54 -1.97 0.12 0.00 -0.02 0.00 0.00 33.50 32.17 3khg n PRO 1060CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3khg h ILE 1061N 1.81 1.16 0.00 4.25 2.04 -1.80 -2.07 117.51 122.90 3khg h ILE 1061Ca -0.42 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 3khg h ILE 1061Cb 1.33 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3khg h ILE 1061CO 0.59 0.22 -0.05 -0.37 0.00 0.00 0.00 178.15 178.54 3khg h VAL 1062N 1.18 0.29 0.14 1.67 -1.51 -1.89 0.15 116.25 116.28 3khg h VAL 1062Ca 0.37 -0.29 -0.29 0.00 -1.23 0.00 0.00 66.70 65.26 3khg h VAL 1062Cb -0.00 1.22 0.02 0.00 -2.13 0.00 0.00 31.29 30.39 3khg h VAL 1062CO -0.12 0.05 -1.26 -0.33 -1.23 0.00 0.00 177.57 174.68 3khg h GLU 1063N 0.00 0.43 -0.48 5.19 5.08 -1.74 -3.20 114.58 119.86 3khg h GLU 1063Ca -0.00 -0.65 -0.12 0.00 -1.00 0.00 0.00 59.36 57.59 3khg h GLU 1063Cb 0.21 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3khg h GLU 1063CO 0.01 1.29 -0.17 0.00 -1.00 0.00 0.00 179.01 179.13 3khg h ALA 1064N 0.44 0.79 -0.37 3.43 0.00 -0.65 -2.81 119.26 120.09 3khg h ALA 1064Ca -0.17 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3khg h ALA 1064Cb 1.95 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 3khg h ALA 1064CO 0.22 0.66 0.02 0.87 0.00 0.00 0.00 179.25 181.03 3khg h LYS 1065N 0.82 0.57 -0.24 0.00 1.79 -0.90 0.24 116.57 118.86 3khg h LYS 1065Ca 0.12 -0.12 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 3khg h LYS 1065Cb 0.72 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 3khg h LYS 1065CO 0.06 0.58 0.10 0.87 -1.08 0.00 0.00 179.45 179.98 3khg h LYS 1066N 0.55 0.22 0.12 3.15 1.57 -1.50 -2.28 116.57 118.40 3khg h LYS 1066Ca 0.12 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3khg h LYS 1066Cb 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3khg h LYS 1066CO 0.01 0.14 -0.06 0.82 -0.57 0.00 0.00 179.45 179.80 3khg h ILE 1067N 0.23 1.08 -2.96 1.86 2.04 -1.14 -3.40 117.51 115.20 3khg h ILE 1067Ca 0.10 -1.06 -0.61 0.00 1.00 0.00 0.00 64.86 64.29 3khg h ILE 1067Cb 0.05 1.71 -0.40 0.00 -0.74 0.00 0.00 36.82 37.43 3khg h ILE 1067CO -0.08 0.24 -0.72 -0.76 0.00 0.00 0.00 178.15 176.83 3khg s LEU 1068N -9.18 3.26 0.35 1.44 1.43 0.79 -4.97 118.68 111.80 3khg s LEU 1068Ca -0.15 -3.08 0.18 0.00 -1.03 0.00 0.00 54.13 50.06 3khg s LEU 1068Cb 0.01 -1.17 0.47 0.00 0.03 0.00 0.00 46.19 45.52 3khg s LEU 1068CO 0.58 -0.20 1.63 -0.65 0.23 0.00 0.00 176.35 177.94 3khg h PRO 1069N 6.16 0.00 -0.63 1.29 0.11 -1.62 -3.11 132.00 134.20 3khg h PRO 1069Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3khg h PRO 1069Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3khg h PRO 1069CO 0.55 0.40 0.00 0.09 -0.21 0.00 0.00 178.00 178.84 3khg n ASN 1070N -3.38 5.03 -4.85 -2.05 3.02 -1.26 -4.94 115.26 106.83 3khg n ASN 1070Ca 0.01 -2.65 -0.31 0.00 -0.03 0.00 0.00 54.58 51.60 3khg n ASN 1070Cb 0.59 -0.62 0.03 0.00 -0.61 0.00 0.00 39.78 39.17 3khg n ASN 1070CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3khg s ALA 1071N -2.24 2.87 0.21 5.41 0.00 -1.17 -4.98 121.76 121.85 3khg s ALA 1071Ca 0.50 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 3khg s ALA 1071Cb 0.35 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 3khg s ALA 1071CO 0.19 -1.00 0.70 0.08 0.00 0.00 0.00 175.76 175.74 3khg s VAL 1072N -3.15 4.60 -0.35 0.00 1.01 -1.03 -5.01 120.40 116.47 3khg s VAL 1072Ca 0.57 1.24 -0.00 0.00 0.00 0.00 0.00 61.98 63.79 3khg s VAL 1072Cb -0.12 -3.85 0.12 0.00 0.00 0.00 0.00 36.38 32.53 3khg s VAL 1072CO 0.54 0.22 0.17 -0.31 0.00 0.00 0.00 175.10 175.72 3khg s TYR 1073N -1.51 1.42 0.14 5.22 2.02 -1.26 -2.04 117.35 121.34 3khg s TYR 1073Ca 0.42 -1.82 -0.10 0.00 -0.37 0.00 0.00 57.07 55.20 3khg s TYR 1073Cb -0.17 -1.50 -0.06 0.00 -0.40 0.00 0.00 41.96 39.83 3khg s TYR 1073CO 0.21 -0.83 0.47 -0.51 -1.57 0.00 0.00 175.55 173.32 3khg s LEU 1074N 1.18 4.29 0.56 -1.29 1.43 -0.91 -4.90 118.68 119.04 3khg s LEU 1074Ca 0.14 0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 53.93 3khg s LEU 1074Cb -0.21 -3.29 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 3khg s LEU 1074CO -0.13 0.07 1.06 -2.16 0.23 0.00 0.00 176.35 175.42 3khg s PRO 1075N -2.27 3.44 -0.39 1.29 0.04 -1.26 -0.22 135.00 135.63 3khg s PRO 1075Ca 0.39 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 3khg s PRO 1075Cb -0.13 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3khg s PRO 1075CO 0.20 -0.73 1.04 1.41 0.04 0.00 0.00 177.00 178.97 3khg s MET 1076N -3.76 3.87 -1.19 4.56 1.75 -0.65 -4.78 119.30 119.10 3khg s MET 1076Ca 0.66 0.72 -0.09 0.00 -1.25 0.00 0.00 55.69 55.73 3khg s MET 1076Cb -0.17 -3.82 0.22 0.00 2.84 0.00 0.00 34.83 33.90 3khg s MET 1076CO 0.31 -1.07 1.52 0.54 -0.65 0.00 0.00 175.02 175.67 3khg n ARG 1077N 7.14 3.73 -0.10 4.11 1.74 -1.26 -4.87 116.66 127.15 3khg n ARG 1077Ca 0.10 -4.03 0.26 0.00 -0.77 0.00 0.00 57.85 53.42 3khg n ARG 1077Cb 0.48 -2.79 0.72 0.00 -1.02 0.00 0.00 32.46 29.84 3khg n ARG 1077CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3khg h LYS 1078N 6.23 0.00 0.07 5.56 1.63 -1.99 -1.86 116.57 126.21 3khg h LYS 1078Ca 0.29 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.91 3khg h LYS 1078Cb 0.74 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.39 3khg h LYS 1078CO 1.34 0.00 -0.74 0.93 -3.45 0.00 0.00 179.45 177.52 3khg h GLU 1079N 0.00 0.38 -0.10 1.90 3.07 -1.99 -0.59 114.58 117.26 3khg h GLU 1079Ca 0.36 -0.50 0.02 0.00 -0.50 0.00 0.00 59.36 58.74 3khg h GLU 1079Cb 1.59 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 29.64 3khg h GLU 1079CO -0.00 1.18 -0.03 0.28 -1.40 0.00 0.00 179.01 179.04 3khg h VAL 1080N -0.18 0.89 -0.46 3.13 2.07 -1.78 -2.43 116.25 117.49 3khg h VAL 1080Ca -0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3khg h VAL 1080Cb 1.50 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3khg h VAL 1080CO 0.14 0.00 0.27 1.88 0.02 0.00 0.00 177.57 179.88 3khg h TYR 1081N -0.00 0.62 -0.11 1.57 0.05 -1.40 -2.69 116.97 115.01 3khg h TYR 1081Ca 0.05 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3khg h TYR 1081Cb 0.08 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3khg h TYR 1081CO -0.15 0.45 0.07 0.37 -1.05 0.00 0.00 178.16 177.85 3khg h GLN 1082N 0.61 0.13 0.48 4.88 5.75 -0.94 -1.12 115.11 124.91 3khg h GLN 1082Ca 0.16 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 3khg h GLN 1082Cb 0.02 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3khg h GLN 1082CO -0.03 0.09 -0.23 1.96 -2.65 0.00 0.00 178.83 177.97 3khg h GLN 1083N 0.14 -0.62 -0.94 1.69 4.20 -1.09 -1.33 115.11 117.15 3khg h GLN 1083Ca 0.04 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.84 3khg h GLN 1083Cb -0.01 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 3khg h GLN 1083CO -0.01 -0.35 0.62 0.28 -0.67 0.00 0.00 178.83 178.70 3khg h VAL 1084N -0.80 1.13 0.28 -0.54 2.07 -1.33 -0.27 116.25 116.79 3khg h VAL 1084Ca -0.07 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3khg h VAL 1084Cb 0.56 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3khg h VAL 1084CO 0.11 0.21 -0.32 -1.28 0.02 0.00 0.00 177.57 176.31 3khg h SER 1085N 1.15 -0.88 -0.57 0.57 0.87 -1.19 -2.22 113.55 111.28 3khg h SER 1085Ca 0.38 0.07 0.14 0.00 -1.23 0.00 0.00 61.79 61.16 3khg h SER 1085Cb 0.07 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3khg h SER 1085CO -0.13 -0.40 0.40 0.28 -0.53 0.00 0.00 176.83 176.45 3khg h SER 1086N -0.60 0.13 -0.04 6.23 0.02 -0.12 0.57 113.55 119.74 3khg h SER 1086Ca -0.03 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 3khg h SER 1086Cb 0.53 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 3khg h SER 1086CO -0.06 0.07 -0.55 0.03 -1.14 0.00 0.00 176.83 175.18 3khg h ARG 1087N 0.14 0.62 0.10 3.45 3.08 -0.94 -2.15 114.38 118.69 3khg h ARG 1087Ca 0.27 -0.39 -0.26 0.00 0.07 0.00 0.00 59.98 59.67 3khg h ARG 1087Cb 0.89 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3khg h ARG 1087CO -0.04 1.01 -1.18 0.82 -1.07 0.00 0.00 179.97 179.51 3khg h ILE 1088N 0.48 1.49 -0.14 2.04 2.04 -0.45 -2.29 117.51 120.69 3khg h ILE 1088Ca 0.01 -2.96 -0.09 0.00 1.00 0.00 0.00 64.86 62.81 3khg h ILE 1088Cb 1.11 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 40.02 3khg h ILE 1088CO 0.11 0.87 -0.32 0.24 0.00 0.00 0.00 178.15 179.04 3khg h MET 1089N 0.10 0.27 -0.57 2.37 2.86 -1.01 0.85 114.93 119.80 3khg h MET 1089Ca -0.12 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.31 3khg h MET 1089Cb 1.89 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.52 3khg h MET 1089CO 0.19 0.57 -0.04 -0.91 1.06 0.00 0.00 176.91 177.79 3khg h ASN 1090N 0.24 1.01 0.86 1.22 2.35 -1.43 -3.06 115.58 116.77 3khg h ASN 1090Ca 0.03 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3khg h ASN 1090Cb 0.69 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3khg h ASN 1090CO 0.05 1.09 0.00 0.25 -1.65 0.00 0.00 177.43 177.17 3khg h LEU 1091N 0.91 0.00 0.00 1.61 6.46 -0.72 -2.04 115.31 121.53 3khg h LEU 1091Ca 0.16 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.75 3khg h LEU 1091Cb 0.59 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 3khg h LEU 1091CO 0.04 0.00 -0.94 -0.07 -0.62 0.00 0.00 178.44 176.84 3khg h LEU 1092N 0.00 0.00 -1.51 2.25 3.38 -0.81 -3.36 115.31 115.26 3khg h LEU 1092Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3khg h LEU 1092Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3khg h LEU 1092CO 0.00 0.72 -0.23 0.03 0.09 0.00 0.00 178.44 179.05 3khg h ARG 1093N 0.00 0.02 -1.08 1.13 3.08 -1.27 -1.45 114.38 114.81 3khg h ARG 1093Ca -0.06 -0.00 0.33 0.00 0.07 0.00 0.00 59.98 60.31 3khg h ARG 1093Cb 1.60 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.52 3khg h ARG 1093CO 0.08 0.25 0.66 0.93 -1.07 0.00 0.00 179.97 180.82 3khg h GLU 1094N 0.02 0.29 0.00 0.04 4.39 -1.71 -1.81 114.58 115.80 3khg h GLU 1094Ca 0.00 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.49 3khg h GLU 1094Cb 0.42 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 3khg h GLU 1094CO 0.03 0.19 -1.45 1.88 -1.16 0.00 0.00 179.01 178.50 3khg h TYR 1095N 0.30 0.00 -2.40 4.33 0.05 -1.51 -3.47 116.97 114.26 3khg h TYR 1095Ca 0.72 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.42 3khg h TYR 1095Cb 1.82 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 39.34 3khg h TYR 1095CO -0.01 0.68 -0.04 0.45 -1.05 0.00 0.00 178.16 178.20 3khg s SER 1096N -5.89 -0.54 0.05 3.88 0.15 -0.68 -5.00 113.70 105.68 3khg s SER 1096Ca -0.03 0.87 -0.16 0.00 0.70 0.00 0.00 55.95 57.33 3khg s SER 1096Cb 0.08 0.87 -0.22 0.00 -1.71 0.00 0.00 66.02 65.05 3khg s SER 1096CO 0.81 -0.33 1.17 1.05 1.20 0.00 0.00 173.24 177.15 3khg h GLU 1097N 4.53 0.60 -6.12 5.44 4.11 -1.89 -3.38 114.58 117.86 3khg h GLU 1097Ca -0.28 -0.61 -0.59 0.00 0.07 0.00 0.00 59.36 57.95 3khg h GLU 1097Cb 1.17 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 30.49 3khg h GLU 1097CO 0.25 1.22 0.64 0.15 0.07 0.00 0.00 179.01 181.33 3khg s LYS 1098N -3.35 3.88 -0.28 1.06 1.02 -1.26 -4.99 119.74 115.82 3khg s LYS 1098Ca -0.11 0.65 -0.06 0.00 0.02 0.00 0.00 55.97 56.47 3khg s LYS 1098Cb 0.06 -3.79 0.15 0.00 -0.52 0.00 0.00 37.83 33.72 3khg s LYS 1098CO 0.88 -0.94 0.57 -1.50 -0.92 0.00 0.00 175.35 173.44 3khg s ILE 1099N 3.50 -0.91 -0.50 2.17 2.07 -1.26 -2.60 121.20 123.67 3khg s ILE 1099Ca 0.39 0.02 -0.17 0.00 -1.41 0.00 0.00 60.65 59.48 3khg s ILE 1099Cb -0.12 -0.93 0.07 0.00 0.13 0.00 0.00 42.46 41.61 3khg s ILE 1099CO 0.18 -0.00 0.52 -0.70 -1.91 0.00 0.00 174.94 173.02 3khg s GLU 1100N 2.81 3.04 -0.35 3.50 2.12 0.89 -4.47 118.70 126.24 3khg s GLU 1100Ca 0.06 -1.20 -0.29 0.00 0.36 0.00 0.00 54.97 53.90 3khg s GLU 1100Cb -0.13 -4.14 -0.01 0.00 0.26 0.00 0.00 34.13 30.11 3khg s GLU 1100CO -0.19 -1.17 1.58 0.42 -0.54 0.00 0.00 175.26 175.37 3khg s ILE 1101N 2.09 3.72 -0.01 -3.70 -1.09 -1.26 -1.52 121.20 119.43 3khg s ILE 1101Ca 0.09 0.74 -0.20 0.00 -2.23 0.00 0.00 60.65 59.05 3khg s ILE 1101Cb -0.23 -3.92 -0.31 0.00 -1.58 0.00 0.00 42.46 36.42 3khg s ILE 1101CO 0.08 -0.56 0.96 0.00 -1.23 0.00 0.00 174.94 174.20 3khg h ALA 1102N 11.50 -0.08 -2.39 9.38 0.00 -1.24 -3.42 119.26 133.01 3khg h ALA 1102Ca -0.31 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3khg h ALA 1102Cb 1.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3khg h ALA 1102CO 1.05 0.47 0.15 -1.13 0.00 0.00 0.00 179.25 179.79 3khg n SER 1103N -4.02 -1.02 0.15 0.00 3.41 -1.11 -4.93 113.62 106.09 3khg n SER 1103Ca -0.14 -1.68 0.10 0.00 -0.26 0.00 0.00 58.87 56.88 3khg n SER 1103Cb 0.88 1.70 0.52 0.00 -0.26 0.00 0.00 64.21 67.04 3khg n SER 1103CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3khg n ILE 1104N -0.26 1.12 -1.18 -1.33 3.06 -1.26 -2.63 119.36 116.89 3khg n ILE 1104Ca -0.04 0.71 0.01 0.00 -2.50 0.00 0.00 62.75 60.94 3khg n ILE 1104Cb 0.27 -1.71 0.01 0.00 0.54 0.00 0.00 39.64 38.75 3khg n ILE 1104CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 3khg n ASP 1105N -2.17 0.54 -4.00 9.51 5.75 -1.26 -4.72 116.55 120.21 3khg n ASP 1105Ca -0.01 -1.68 -0.19 0.00 -0.01 0.00 0.00 54.79 52.90 3khg n ASP 1105Cb 0.04 -0.11 -0.15 0.00 -1.03 0.00 0.00 41.12 39.87 3khg n ASP 1105CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3khg s GLU 1106N -0.45 0.74 -0.18 0.11 2.02 -1.08 -0.59 118.70 119.27 3khg s GLU 1106Ca 0.03 -0.28 -0.06 0.00 0.02 0.00 0.00 54.97 54.68 3khg s GLU 1106Cb 0.03 -0.71 0.09 0.00 0.10 0.00 0.00 34.13 33.63 3khg s GLU 1106CO 0.00 0.15 0.35 0.00 0.02 0.00 0.00 175.26 175.78 3khg s ALA 1107N -0.03 -0.91 -0.05 5.21 0.00 -0.70 -0.62 121.76 124.65 3khg s ALA 1107Ca 0.01 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 52.95 3khg s ALA 1107Cb -0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 3khg s ALA 1107CO -0.00 -0.77 0.68 0.71 0.00 0.00 0.00 175.76 176.38 3khg s TYR 1108N 2.53 3.60 -0.12 0.00 2.02 -0.57 -1.84 117.35 122.96 3khg s TYR 1108Ca 0.01 1.24 0.01 0.00 -0.37 0.00 0.00 57.07 57.96 3khg s TYR 1108Cb -0.12 -2.77 -0.01 0.00 -0.40 0.00 0.00 41.96 38.65 3khg s TYR 1108CO -0.11 0.13 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.34 3khg s LEU 1109N 0.62 2.60 -0.19 -1.29 1.02 -0.20 -0.07 118.68 121.17 3khg s LEU 1109Ca 0.36 -0.37 -0.28 0.00 0.02 0.00 0.00 54.13 53.86 3khg s LEU 1109Cb -0.18 -1.57 -0.00 0.00 0.02 0.00 0.00 46.19 44.46 3khg s LEU 1109CO 0.18 0.16 0.97 -0.62 0.02 0.00 0.00 176.35 177.06 3khg s ASP 1110N 0.35 7.08 -0.12 2.29 2.15 -1.07 -1.89 116.67 125.46 3khg s ASP 1110Ca -0.12 1.34 0.14 0.00 0.43 0.00 0.00 52.55 54.34 3khg s ASP 1110Cb -0.16 -2.52 0.32 0.00 -0.30 0.00 0.00 42.92 40.26 3khg s ASP 1110CO 0.06 -0.55 1.16 2.30 -0.17 0.00 0.00 175.17 177.97 3khg n ILE 1111N 5.02 1.41 0.32 4.11 -5.35 -0.77 -4.72 119.36 119.37 3khg n ILE 1111Ca 0.09 -2.08 0.21 0.00 -0.27 0.00 0.00 62.75 60.70 3khg n ILE 1111Cb 0.47 0.08 1.03 0.00 -1.74 0.00 0.00 39.64 39.48 3khg n ILE 1111CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3khg h SER 1112N 0.53 0.00 0.00 7.28 0.02 -1.88 -1.70 113.55 117.80 3khg h SER 1112Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3khg h SER 1112Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3khg h SER 1112CO 0.02 0.00 -0.99 0.47 -1.14 0.00 0.00 176.83 175.18 3khg n ASP 1113N -3.06 0.84 0.00 3.07 8.00 -1.26 -4.56 116.55 119.59 3khg n ASP 1113Ca -0.02 -0.82 0.10 0.00 0.71 0.00 0.00 54.79 54.77 3khg n ASP 1113Cb 0.15 1.11 -0.15 0.00 -0.02 0.00 0.00 41.12 42.21 3khg n ASP 1113CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3khg n LYS 1114N -1.52 0.65 -4.20 -1.24 4.76 -0.67 -5.01 118.16 110.93 3khg n LYS 1114Ca 0.03 -0.15 -0.15 0.00 -2.87 0.00 0.00 58.31 55.16 3khg n LYS 1114Cb 0.31 -1.56 -0.08 0.00 -1.84 0.00 0.00 35.03 31.86 3khg n LYS 1114CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3khg s VAL 1115N -3.47 0.00 -0.21 -0.18 -7.23 -1.05 -5.09 120.40 103.16 3khg s VAL 1115Ca -0.07 -1.90 0.19 0.00 -1.81 0.00 0.00 61.98 58.39 3khg s VAL 1115Cb 0.13 -2.50 0.43 0.00 0.56 0.00 0.00 36.38 35.00 3khg s VAL 1115CO 0.89 0.00 1.22 -1.14 -0.31 0.00 0.00 175.10 175.76 3khg n ARG 1116N -0.45 1.18 0.00 4.82 0.63 -1.26 -4.82 116.66 116.76 3khg n ARG 1116Ca 0.04 -2.46 0.00 0.00 -0.92 0.00 0.00 57.85 54.51 3khg n ARG 1116Cb 0.64 -0.64 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3khg n ARG 1116CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3khg n ASP 1117N -0.59 0.00 -0.02 6.15 3.85 -1.26 -5.06 116.55 119.62 3khg n ASP 1117Ca -0.02 0.00 -0.06 0.00 -0.71 0.00 0.00 54.79 53.99 3khg n ASP 1117Cb 0.87 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.59 3khg n ASP 1117CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 3khg h TYR 1118N 0.00 -0.07 0.00 2.11 0.05 -1.99 -2.43 116.97 114.64 3khg h TYR 1118Ca 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3khg h TYR 1118Cb 0.00 0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 3khg h TYR 1118CO 0.00 0.29 -0.10 -0.09 -1.05 0.00 0.00 178.16 177.20 3khg h ARG 1119N -0.99 0.00 -0.70 4.88 2.43 -1.99 -0.32 114.38 117.70 3khg h ARG 1119Ca -0.01 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.79 3khg h ARG 1119Cb 0.39 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 29.72 3khg h ARG 1119CO 0.01 0.10 0.31 0.39 -1.51 0.00 0.00 179.97 179.28 3khg n GLU 1120N -3.88 2.07 -0.02 0.20 1.02 -1.25 -4.25 120.64 114.52 3khg n GLU 1120Ca -0.02 -3.11 -0.03 0.00 -0.02 0.00 0.00 57.16 53.98 3khg n GLU 1120Cb 0.20 -2.02 -0.02 0.00 -0.02 0.00 0.00 31.44 29.58 3khg n GLU 1120CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3khg n ALA 1121N -1.14 1.91 -0.26 0.62 0.00 -0.21 -4.61 120.51 116.82 3khg n ALA 1121Ca 0.48 -0.18 0.21 0.00 0.00 0.00 0.00 53.44 53.95 3khg n ALA 1121Cb 1.37 0.38 0.35 0.00 0.00 0.00 0.00 19.45 21.55 3khg n ALA 1121CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3khg n TYR 1122N -2.57 0.22 -0.01 0.00 9.36 -0.69 0.45 117.16 123.92 3khg n TYR 1122Ca -0.07 0.22 -0.11 0.00 3.32 0.00 0.00 57.90 61.26 3khg n TYR 1122Cb 0.58 -0.55 -0.05 0.00 -0.63 0.00 0.00 39.34 38.69 3khg n TYR 1122CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3khg h ASN 1123N 0.00 -1.22 -0.65 2.98 2.35 -1.82 -1.66 115.58 115.57 3khg h ASN 1123Ca 0.43 0.17 0.09 0.00 -0.55 0.00 0.00 56.30 56.44 3khg h ASN 1123Cb 1.50 0.51 -0.07 0.00 0.05 0.00 0.00 38.32 40.31 3khg h ASN 1123CO -0.15 -0.40 0.28 0.25 -1.65 0.00 0.00 177.43 175.76 3khg h LEU 1124N -0.44 0.33 -0.30 1.61 5.85 -0.34 0.41 115.31 122.43 3khg h LEU 1124Ca 0.09 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3khg h LEU 1124Cb 0.60 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3khg h LEU 1124CO -0.40 0.19 0.11 1.23 -0.34 0.00 0.00 178.44 179.23 3khg h GLY 1125N 0.49 0.38 1.35 3.75 0.00 -1.43 1.44 103.07 109.05 3khg h GLY 1125Ca 0.32 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 3khg h GLY 1125CO -0.29 0.04 0.08 1.41 0.00 0.00 0.00 176.54 177.79 3khg h LEU 1126N 0.25 0.76 -1.14 3.11 3.38 -0.53 -0.33 115.31 120.81 3khg h LEU 1126Ca 0.13 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3khg h LEU 1126Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3khg h LEU 1126CO -0.13 0.77 -0.41 -0.08 0.09 0.00 0.00 178.44 178.69 3khg h GLU 1127N 0.77 0.00 -0.03 1.13 4.81 0.11 -2.44 114.58 118.94 3khg h GLU 1127Ca 0.16 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3khg h GLU 1127Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3khg h GLU 1127CO 0.01 0.41 -0.14 0.82 -0.73 0.00 0.00 179.01 179.37 3khg h ILE 1128N 0.00 1.49 -0.72 2.32 2.04 0.25 -2.54 117.51 120.36 3khg h ILE 1128Ca -0.00 -1.66 0.13 0.00 1.00 0.00 0.00 64.86 64.33 3khg h ILE 1128Cb 0.78 2.50 -0.05 0.00 -0.74 0.00 0.00 36.82 39.31 3khg h ILE 1128CO 0.05 0.45 0.48 0.11 0.00 0.00 0.00 178.15 179.24 3khg h LYS 1129N -0.45 0.45 -0.04 2.37 1.57 -1.03 -1.53 116.57 117.90 3khg h LYS 1129Ca -0.01 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.52 3khg h LYS 1129Cb 0.81 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3khg h LYS 1129CO 0.03 0.30 -0.88 -0.91 -0.57 0.00 0.00 179.45 177.42 3khg h ASN 1130N 0.46 0.61 -0.02 0.86 2.35 -1.45 -1.15 115.58 117.24 3khg h ASN 1130Ca 0.34 -0.45 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3khg h ASN 1130Cb 0.71 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 3khg h ASN 1130CO -0.11 1.24 -0.01 0.50 -1.65 0.00 0.00 177.43 177.40 3khg h LYS 1131N 0.30 0.05 0.33 0.81 1.63 -0.97 -2.87 116.57 115.84 3khg h LYS 1131Ca -0.07 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 3khg h LYS 1131Cb 1.50 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.12 3khg h LYS 1131CO 0.16 0.41 -0.23 0.82 -3.45 0.00 0.00 179.45 177.16 3khg h ILE 1132N -0.32 0.52 -0.80 2.00 2.04 -1.38 -0.54 117.51 119.03 3khg h ILE 1132Ca 0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.05 3khg h ILE 1132Cb 0.39 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 3khg h ILE 1132CO 0.00 0.00 0.54 0.25 0.00 0.00 0.00 178.15 178.94 3khg h LEU 1133N -0.54 0.29 0.08 1.44 5.85 -1.19 0.77 115.31 122.01 3khg h LEU 1133Ca -0.03 0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 3khg h LEU 1133Cb 0.46 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3khg h LEU 1133CO 0.01 0.13 -1.06 -0.33 -0.34 0.00 0.00 178.44 176.85 3khg h GLU 1134N 0.30 0.18 0.00 1.25 5.08 -1.33 -1.35 114.58 118.71 3khg h GLU 1134Ca 0.40 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3khg h GLU 1134Cb 1.11 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3khg h GLU 1134CO -0.11 1.15 0.00 0.87 -1.00 0.00 0.00 179.01 179.92 3khg h LYS 1135N -0.53 0.00 0.00 2.33 1.57 -0.64 -3.37 116.57 115.93 3khg h LYS 1135Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3khg h LYS 1135Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.86 3khg h LYS 1135CO 0.02 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 3khg n GLU 1136N -2.50 0.00 -2.61 3.15 -0.58 0.22 -5.03 120.64 113.30 3khg n GLU 1136Ca 0.04 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.59 3khg n GLU 1136Cb 0.38 -0.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 3khg n GLU 1136CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3khg n LYS 1137N 0.00 -2.60 -5.13 3.49 4.76 -0.51 -4.98 118.16 113.20 3khg n LYS 1137Ca 0.00 0.84 -0.32 0.00 -2.87 0.00 0.00 58.31 55.96 3khg n LYS 1137Cb 0.17 -5.54 -0.16 0.00 -1.84 0.00 0.00 35.03 27.66 3khg n LYS 1137CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3khg s ILE 1138N -2.95 2.32 0.20 -0.18 -1.09 -1.25 -4.93 121.20 113.31 3khg s ILE 1138Ca 0.09 -0.95 -0.13 0.00 -2.23 0.00 0.00 60.65 57.43 3khg s ILE 1138Cb -0.04 -1.89 -0.07 0.00 -1.58 0.00 0.00 42.46 38.87 3khg s ILE 1138CO 0.11 0.56 0.59 0.42 -1.23 0.00 0.00 174.94 175.39 3khg s THR 1139N 0.12 4.83 0.36 2.92 -4.23 -1.26 -3.30 115.64 115.09 3khg s THR 1139Ca -0.11 0.77 0.04 0.00 -1.18 0.00 0.00 61.69 61.21 3khg s THR 1139Cb -0.16 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 3khg s THR 1139CO 0.06 0.09 0.17 0.68 -0.54 0.00 0.00 174.62 175.08 3khg s VAL 1140N -1.64 0.38 0.01 2.29 -7.23 -1.26 -2.62 120.40 110.31 3khg s VAL 1140Ca 0.43 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 3khg s VAL 1140Cb -0.13 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 3khg s VAL 1140CO 0.20 0.00 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.96 3khg s THR 1141N -3.38 1.12 0.18 5.32 2.01 -1.05 -3.47 115.64 116.37 3khg s THR 1141Ca 0.31 -0.74 0.11 0.00 0.31 0.00 0.00 61.69 61.68 3khg s THR 1141Cb 0.03 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 3khg s THR 1141CO 0.19 0.21 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.42 3khg s VAL 1142N -0.51 2.51 -0.15 3.82 1.01 -0.84 -1.79 120.40 124.45 3khg s VAL 1142Ca 0.04 -1.90 -0.07 0.00 0.00 0.00 0.00 61.98 60.06 3khg s VAL 1142Cb -0.06 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 34.19 3khg s VAL 1142CO 0.00 -0.07 0.35 -0.83 0.00 0.00 0.00 175.10 174.55 3khg s GLY 1143N -2.58 -0.25 -0.14 4.51 0.00 0.56 -2.40 107.32 107.02 3khg s GLY 1143Ca 0.20 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.21 3khg s GLY 1143CO 0.10 1.85 -0.11 -0.42 0.00 0.00 0.00 173.10 174.52 3khg s ILE 1144N 1.91 1.34 0.31 0.90 1.01 -0.52 -1.08 121.20 125.07 3khg s ILE 1144Ca -0.05 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 3khg s ILE 1144Cb -0.11 -1.33 0.06 0.00 0.01 0.00 0.00 42.46 41.09 3khg s ILE 1144CO -0.11 0.36 0.87 -0.55 0.00 0.00 0.00 174.94 175.51 3khg s SER 1145N 1.57 -0.03 0.63 3.58 0.15 -1.12 -0.45 113.70 118.04 3khg s SER 1145Ca 0.04 -0.93 0.35 0.00 0.70 0.00 0.00 55.95 56.11 3khg s SER 1145Cb -0.13 0.72 2.01 0.00 -1.71 0.00 0.00 66.02 66.91 3khg s SER 1145CO -0.09 -1.42 2.23 0.07 1.20 0.00 0.00 173.24 175.22 3khg h LYS 1146N 2.00 0.00 -3.40 5.44 2.10 -1.79 -1.54 116.57 119.38 3khg h LYS 1146Ca -0.29 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.31 3khg h LYS 1146Cb 1.24 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.51 3khg h LYS 1146CO 0.37 0.00 0.05 0.54 -2.00 0.00 0.00 179.45 178.41 3khg s ASN 1147N -5.47 0.02 0.09 7.07 2.20 -1.26 -4.46 114.94 113.14 3khg s ASN 1147Ca -0.05 -0.96 -0.32 0.00 -0.94 0.00 0.00 52.86 50.59 3khg s ASN 1147Cb 0.14 0.69 -0.14 0.00 -2.00 0.00 0.00 41.25 39.93 3khg s ASN 1147CO 0.46 -1.34 1.60 0.11 -2.94 0.00 0.00 177.10 175.00 3khg h LYS 1148N 2.11 -0.79 -0.59 3.55 1.57 -1.87 -1.32 116.57 119.24 3khg h LYS 1148Ca -0.26 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.69 3khg h LYS 1148Cb 1.25 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 33.63 3khg h LYS 1148CO 0.33 -0.52 -0.15 0.28 -0.57 0.00 0.00 179.45 178.82 3khg h VAL 1149N -0.82 0.41 0.00 0.50 2.07 -1.98 0.78 116.25 117.21 3khg h VAL 1149Ca -0.04 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 3khg h VAL 1149Cb 0.72 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3khg h VAL 1149CO -0.05 0.00 -0.47 -0.26 0.02 0.00 0.00 177.57 176.81 3khg h PHE 1150N -0.00 0.00 -0.80 1.57 0.04 -1.91 -0.93 116.94 114.90 3khg h PHE 1150Ca 0.28 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.01 3khg h PHE 1150Cb 0.43 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.55 3khg h PHE 1150CO -0.49 0.47 0.33 0.00 -0.60 0.00 0.00 178.31 178.02 3khg h ALA 1151N 1.53 1.06 -0.13 2.45 0.00 -0.07 -2.23 119.26 121.88 3khg h ALA 1151Ca -0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 3khg h ALA 1151Cb 1.30 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3khg h ALA 1151CO 0.06 0.67 -0.71 -0.22 0.00 0.00 0.00 179.25 179.05 3khg h LYS 1152N 1.17 0.58 -0.21 0.00 3.64 -0.25 -2.85 116.57 118.65 3khg h LYS 1152Ca 0.27 -0.45 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 3khg h LYS 1152Cb 0.20 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3khg h LYS 1152CO -0.02 1.08 -0.38 0.82 -2.27 0.00 0.00 179.45 178.67 3khg h ILE 1153N 0.41 1.30 -0.34 2.00 2.04 -1.18 -1.06 117.51 120.67 3khg h ILE 1153Ca -0.03 -1.52 0.07 0.00 1.00 0.00 0.00 64.86 64.38 3khg h ILE 1153Cb 1.30 1.56 -0.09 0.00 -0.74 0.00 0.00 36.82 38.86 3khg h ILE 1153CO 0.13 0.47 -0.34 0.00 0.00 0.00 0.00 178.15 178.42 3khg h ALA 1154N 1.20 -0.25 -0.66 1.87 0.00 -1.30 -1.38 119.26 118.74 3khg h ALA 1154Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3khg h ALA 1154Cb 0.85 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 3khg h ALA 1154CO 0.07 -0.76 0.41 0.00 0.00 0.00 0.00 179.25 178.97 3khg h ALA 1155N 0.65 1.47 -0.55 0.00 0.00 -1.18 -2.78 119.26 116.86 3khg h ALA 1155Ca 0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3khg h ALA 1155Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3khg h ALA 1155CO -0.50 0.47 0.15 -0.44 0.00 0.00 0.00 179.25 178.92 3khg h ASP 1156N 0.91 0.83 -0.63 0.00 3.32 -0.25 -3.14 116.42 117.45 3khg h ASP 1156Ca 0.24 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3khg h ASP 1156Cb -0.05 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 3khg h ASP 1156CO -0.05 0.83 0.15 0.24 -1.72 0.00 0.00 179.24 178.70 3khg h MET 1157N 0.78 1.04 0.00 3.56 2.86 -1.02 -2.61 114.93 119.55 3khg h MET 1157Ca 0.18 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3khg h MET 1157Cb 0.32 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3khg h MET 1157CO -0.00 0.93 0.00 0.00 1.06 0.00 0.00 176.91 178.90 3khg n ALA 1158N -2.46 1.52 -0.42 6.32 0.00 -1.14 -4.92 120.51 119.42 3khg n ALA 1158Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3khg n ALA 1158Cb 0.26 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3khg n ALA 1158CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3khg n LYS 1159N -1.26 0.00 0.00 0.00 4.81 -0.99 -4.12 118.16 116.59 3khg n LYS 1159Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3khg n LYS 1159Cb 0.05 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.10 3khg n LYS 1159CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3khg n PRO 1160N 14.00 0.00 -3.40 1.64 -0.04 -1.26 -4.66 135.00 141.28 3khg n PRO 1160Ca 0.00 0.32 -0.44 0.00 -0.04 0.00 0.00 63.50 63.34 3khg n PRO 1160Cb 0.00 -0.81 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 3khg n PRO 1160CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3khg s ASN 1161N -2.97 6.72 0.23 3.54 3.04 -1.26 -4.11 114.94 120.13 3khg s ASN 1161Ca 0.00 -3.13 -0.04 0.00 0.04 0.00 0.00 52.86 49.74 3khg s ASN 1161Cb 0.00 -2.14 0.02 0.00 -1.54 0.00 0.00 41.25 37.58 3khg s ASN 1161CO 0.00 -0.41 0.37 0.61 -3.04 0.00 0.00 177.10 174.62 3khg n GLY 1162N 3.32 2.12 3.15 1.21 0.00 -1.23 -5.05 105.19 108.71 3khg n GLY 1162Ca 0.17 -1.41 0.04 0.00 0.00 0.00 0.00 46.02 44.83 3khg n GLY 1162CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3khg s ILE 1163N -2.60 -0.91 0.09 -0.61 2.07 -1.26 -1.99 121.20 115.99 3khg s ILE 1163Ca 0.15 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.49 3khg s ILE 1163Cb -0.01 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.54 3khg s ILE 1163CO 0.11 0.00 -0.26 -0.75 -1.91 0.00 0.00 174.94 172.13 3khg s LYS 1164N 2.87 1.56 -0.14 3.50 2.47 -1.01 -4.99 119.74 124.00 3khg s LYS 1164Ca 0.18 -1.22 -0.01 0.00 -1.56 0.00 0.00 55.97 53.36 3khg s LYS 1164Cb -0.14 -1.89 0.04 0.00 -1.46 0.00 0.00 37.83 34.37 3khg s LYS 1164CO -0.20 0.47 -0.05 0.14 0.16 0.00 0.00 175.35 175.88 3khg s VAL 1165N -0.94 0.96 -0.75 4.02 -7.23 -1.26 -1.43 120.40 113.76 3khg s VAL 1165Ca 0.12 -0.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.88 3khg s VAL 1165Cb -0.10 -1.12 0.20 0.00 0.56 0.00 0.00 36.38 35.92 3khg s VAL 1165CO 0.04 0.18 0.62 -0.38 -0.31 0.00 0.00 175.10 175.25 3khg n ILE 1166N 4.94 2.16 -0.96 -0.62 5.41 0.41 -4.99 119.36 125.71 3khg n ILE 1166Ca -0.11 -5.01 -0.19 0.00 1.00 0.00 0.00 62.75 58.45 3khg n ILE 1166Cb 0.49 -2.22 0.15 0.00 -0.71 0.00 0.00 39.64 37.35 3khg n ILE 1166CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3khg n ASP 1167N 1.86 -1.40 0.00 4.38 5.75 -1.26 -4.45 116.55 121.43 3khg n ASP 1167Ca 0.22 -0.97 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 3khg n ASP 1167Cb 0.36 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 3khg n ASP 1167CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3khg n ASP 1168N -4.06 0.00 0.12 -1.12 9.92 -1.26 -2.02 116.55 118.13 3khg n ASP 1168Ca 0.10 0.03 0.08 0.00 -0.53 0.00 0.00 54.79 54.46 3khg n ASP 1168Cb 0.36 -0.03 0.02 0.00 -0.64 0.00 0.00 41.12 40.84 3khg n ASP 1168CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3khg h GLU 1169N 0.00 0.00 0.00 -1.24 4.39 -1.99 -3.30 114.58 112.44 3khg h GLU 1169Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 3khg h GLU 1169Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3khg h GLU 1169CO 0.00 0.12 -1.32 -0.85 -1.16 0.00 0.00 179.01 175.79 3khg n GLU 1170N -2.88 3.20 -0.17 2.33 0.00 -0.86 -4.25 120.64 118.02 3khg n GLU 1170Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.13 3khg n GLU 1170Cb 0.62 -1.12 0.08 0.00 0.00 0.00 0.00 31.44 31.02 3khg n GLU 1170CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3khg h VAL 1171N 0.00 0.75 -0.58 3.84 2.07 -1.66 1.89 116.25 122.57 3khg h VAL 1171Ca -0.13 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3khg h VAL 1171Cb 1.28 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3khg h VAL 1171CO 0.01 0.06 0.13 0.11 0.02 0.00 0.00 177.57 177.89 3khg h LYS 1172N 0.30 0.93 -0.06 1.57 1.57 -1.84 -2.88 116.57 116.17 3khg h LYS 1172Ca 0.26 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 3khg h LYS 1172Cb 0.34 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3khg h LYS 1172CO -0.31 0.87 -0.50 -0.09 -0.57 0.00 0.00 179.45 178.85 3khg h ARG 1173N 0.83 0.15 0.00 3.15 2.43 -1.27 -3.22 114.38 116.46 3khg h ARG 1173Ca 0.18 -0.08 -0.19 0.00 -0.81 0.00 0.00 59.98 59.07 3khg h ARG 1173Cb 0.37 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3khg h ARG 1173CO 0.00 0.62 -1.00 -0.07 -1.51 0.00 0.00 179.97 178.02 3khg h LEU 1174N 0.12 0.00 -0.87 3.80 3.38 0.29 -0.48 115.31 121.55 3khg h LEU 1174Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.10 3khg h LEU 1174Cb 0.93 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.60 3khg h LEU 1174CO 0.07 0.86 0.49 0.40 0.09 0.00 0.00 178.44 180.35 3khg h ILE 1175N 0.00 0.83 0.09 1.22 2.04 -1.52 -2.45 117.51 117.73 3khg h ILE 1175Ca -0.05 -0.26 -0.27 0.00 1.00 0.00 0.00 64.86 65.28 3khg h ILE 1175Cb 1.70 0.01 0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3khg h ILE 1175CO 0.10 0.14 -1.12 0.03 0.00 0.00 0.00 178.15 177.30 3khg h ARG 1176N 0.75 0.60 -2.21 2.37 3.08 -1.60 0.27 114.38 117.66 3khg h ARG 1176Ca 0.45 -0.77 -0.56 0.00 0.07 0.00 0.00 59.98 59.17 3khg h ARG 1176Cb 0.53 0.25 -0.41 0.00 0.08 0.00 0.00 29.97 30.41 3khg h ARG 1176CO -0.30 1.34 -0.78 0.39 -1.07 0.00 0.00 179.97 179.55 3khg n GLU 1177N -3.87 2.58 -3.74 0.04 1.02 -0.20 -4.73 120.64 111.75 3khg n GLU 1177Ca -0.13 -4.46 -0.12 0.00 -0.02 0.00 0.00 57.16 52.43 3khg n GLU 1177Cb 0.93 -2.09 -0.13 0.00 -0.02 0.00 0.00 31.44 30.13 3khg n GLU 1177CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3khg s LEU 1178N -3.07 0.50 0.18 -4.62 2.96 -0.96 -4.71 118.68 108.96 3khg s LEU 1178Ca 0.46 0.52 -0.32 0.00 -0.22 0.00 0.00 54.13 54.56 3khg s LEU 1178Cb 0.28 0.74 -0.11 0.00 0.50 0.00 0.00 46.19 47.60 3khg s LEU 1178CO -0.11 -0.16 1.71 -0.62 -1.32 0.00 0.00 176.35 175.85 3khg s ASP 1179N 1.13 6.43 0.41 3.68 -1.08 -1.26 -3.86 116.67 122.12 3khg s ASP 1179Ca -0.08 2.79 0.12 0.00 -0.52 0.00 0.00 52.55 54.86 3khg s ASP 1179Cb -0.09 -2.59 0.94 0.00 -1.46 0.00 0.00 42.92 39.71 3khg s ASP 1179CO -0.07 -0.95 1.95 -0.29 0.52 0.00 0.00 175.17 176.33 3khg h ILE 1180N 4.00 0.91 0.00 4.11 6.09 -0.71 -0.72 117.51 131.19 3khg h ILE 1180Ca -0.43 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 3khg h ILE 1180Cb 1.20 0.33 0.00 0.00 0.47 0.00 0.00 36.82 38.83 3khg h ILE 1180CO 0.95 0.10 0.00 0.00 -3.07 0.00 0.00 178.15 176.12 3khg n ALA 1181N -2.49 1.92 0.33 0.18 0.00 -1.26 -2.15 120.51 117.05 3khg n ALA 1181Ca 0.11 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.55 3khg n ALA 1181Cb 0.37 -1.31 0.22 0.00 0.00 0.00 0.00 19.45 18.72 3khg n ALA 1181CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3khg n ASP 1182N -1.45 2.87 -4.83 0.00 9.92 -0.27 -4.70 116.55 118.09 3khg n ASP 1182Ca 0.06 -2.13 -0.38 0.00 -0.53 0.00 0.00 54.79 51.81 3khg n ASP 1182Cb 0.21 -0.39 -0.06 0.00 -0.64 0.00 0.00 41.12 40.24 3khg n ASP 1182CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3khg s VAL 1183N -1.54 5.10 0.18 2.53 1.01 -0.91 -4.98 120.40 121.79 3khg s VAL 1183Ca 0.32 0.77 -0.33 0.00 0.00 0.00 0.00 61.98 62.74 3khg s VAL 1183Cb 0.19 -3.68 -0.15 0.00 0.00 0.00 0.00 36.38 32.74 3khg s VAL 1183CO 0.19 0.56 1.29 -2.65 0.00 0.00 0.00 175.10 174.49 3khg n PRO 1184N 2.01 1.52 -1.05 2.72 -0.02 -1.26 -1.75 135.00 137.16 3khg n PRO 1184Ca -0.14 0.54 -0.02 0.00 -2.02 0.00 0.00 63.50 61.86 3khg n PRO 1184Cb 0.53 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 3khg n PRO 1184CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khg n GLY 1185N 2.23 0.52 2.89 -1.23 0.00 -1.26 -5.01 105.19 103.32 3khg n GLY 1185Ca 0.14 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3khg n GLY 1185CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khg s ILE 1186N -1.95 1.34 0.00 -0.61 -1.09 -0.72 -5.06 121.20 113.11 3khg s ILE 1186Ca 0.00 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.23 3khg s ILE 1186Cb 0.00 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.17 3khg s ILE 1186CO 0.00 -0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.12 3khg n GLY 1187N 4.73 3.89 0.17 6.18 0.00 -1.26 -4.56 105.19 114.33 3khg n GLY 1187Ca -0.10 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 3khg n GLY 1187CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khg h ASN 1188N 0.00 0.47 0.24 1.61 -0.26 -1.99 -2.26 115.58 113.39 3khg h ASN 1188Ca 0.00 -0.25 -0.20 0.00 -0.56 0.00 0.00 56.30 55.29 3khg h ASN 1188Cb 0.00 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.13 3khg h ASN 1188CO 0.00 0.60 -0.82 0.40 -1.06 0.00 0.00 177.43 176.55 3khg h ILE 1189N 0.33 1.37 -0.02 2.81 1.08 -2.00 -2.90 117.51 118.19 3khg h ILE 1189Ca 0.09 -2.23 -0.26 0.00 -0.39 0.00 0.00 64.86 62.07 3khg h ILE 1189Cb 0.32 2.21 0.02 0.00 -3.07 0.00 0.00 36.82 36.30 3khg h ILE 1189CO 0.00 0.67 -1.00 0.74 -0.69 0.00 0.00 178.15 177.88 3khg h THR 1190N 0.29 1.28 -0.14 -0.27 2.02 -1.95 -3.07 112.91 111.07 3khg h THR 1190Ca -0.05 -2.20 -0.05 0.00 0.77 0.00 0.00 66.41 64.88 3khg h THR 1190Cb 1.42 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 70.16 3khg h THR 1190CO 0.14 0.68 -0.13 0.00 0.37 0.00 0.00 175.52 176.59 3khg h ALA 1191N 0.41 1.53 -0.03 6.16 0.00 -1.45 -1.88 119.26 124.01 3khg h ALA 1191Ca -0.12 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 3khg h ALA 1191Cb 1.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3khg h ALA 1191CO 0.20 0.34 -0.74 0.93 0.00 0.00 0.00 179.25 179.98 3khg h GLU 1192N 0.21 0.18 -0.01 0.00 4.39 -1.58 -1.88 114.58 115.89 3khg h GLU 1192Ca 0.04 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 3khg h GLU 1192Cb 0.36 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3khg h GLU 1192CO 0.02 0.84 -0.14 0.87 -1.16 0.00 0.00 179.01 179.44 3khg h LYS 1193N 0.12 0.02 0.00 2.33 6.56 -1.26 -2.72 116.57 121.61 3khg h LYS 1193Ca -0.02 -0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.42 3khg h LYS 1193Cb 1.31 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.94 3khg h LYS 1193CO 0.11 0.16 -1.42 1.28 -2.06 0.00 0.00 179.45 177.52 3khg n LEU 1194N -4.36 0.80 -0.23 2.94 4.77 -0.78 -3.08 117.00 117.04 3khg n LEU 1194Ca -0.02 0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 3khg n LEU 1194Cb 0.21 0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3khg n LEU 1194CO 0.36 0.11 1.09 0.11 -1.33 0.00 0.00 177.39 177.73 3khg h LYS 1195N 0.00 0.67 0.00 3.23 1.57 -1.33 -0.83 116.57 119.89 3khg h LYS 1195Ca -0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3khg h LYS 1195Cb 1.51 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3khg h LYS 1195CO 0.04 0.45 0.00 1.63 -0.57 0.00 0.00 179.45 180.99 3khg n LYS 1196N -4.78 0.26 0.00 3.15 4.76 -1.03 -2.14 118.16 118.37 3khg n LYS 1196Ca 0.08 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 3khg n LYS 1196Cb 0.17 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3khg n LYS 1196CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3khg n LEU 1197N -1.25 1.47 0.00 -0.35 4.77 -1.10 -5.01 117.00 115.53 3khg n LEU 1197Ca 0.08 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 3khg n LEU 1197Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3khg n LEU 1197CO 0.11 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3khg n GLY 1198N -0.29 3.03 3.59 -0.72 0.00 -0.91 -5.01 105.19 104.88 3khg n GLY 1198Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3khg n GLY 1198CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khg s ILE 1199N -2.06 3.28 -0.09 -0.61 1.01 -0.35 -4.75 121.20 117.62 3khg s ILE 1199Ca 0.00 0.27 0.12 0.00 0.00 0.00 0.00 60.65 61.04 3khg s ILE 1199Cb 0.00 -3.44 -0.18 0.00 0.01 0.00 0.00 42.46 38.85 3khg s ILE 1199CO 0.00 -0.32 0.13 0.59 0.00 0.00 0.00 174.94 175.34 3khg n ASN 1200N 11.64 1.78 -4.50 3.58 3.02 -1.26 -3.85 115.26 125.67 3khg n ASN 1200Ca 0.26 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.57 3khg n ASN 1200Cb 0.48 1.10 -0.09 0.00 -0.61 0.00 0.00 39.78 40.65 3khg n ASN 1200CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3khg s LYS 1201N -2.54 1.80 0.42 3.52 -0.14 -1.26 0.06 119.74 121.60 3khg s LYS 1201Ca -0.06 -1.70 0.20 0.00 -1.36 0.00 0.00 55.97 53.04 3khg s LYS 1201Cb 0.06 -1.84 0.94 0.00 -1.68 0.00 0.00 37.83 35.30 3khg s LYS 1201CO 0.55 0.33 1.87 1.25 -0.76 0.00 0.00 175.35 178.60 3khg h LEU 1202N 2.19 0.00 -0.56 3.17 6.46 -1.64 -2.62 115.31 122.31 3khg h LEU 1202Ca -0.41 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.23 3khg h LEU 1202Cb 1.26 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 3khg h LEU 1202CO 0.60 0.29 -0.20 1.62 -0.62 0.00 0.00 178.44 180.13 3khg h VAL 1203N 0.00 1.27 -0.06 1.05 3.04 -0.74 -3.25 116.25 117.56 3khg h VAL 1203Ca -0.00 -1.35 0.02 0.00 -1.01 0.00 0.00 66.70 64.36 3khg h VAL 1203Cb 0.64 1.11 -0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3khg h VAL 1203CO 0.04 0.46 0.13 0.44 -1.01 0.00 0.00 177.57 177.64 3khg h ASP 1204N 0.82 0.00 0.07 3.17 3.45 -1.75 -0.84 116.42 121.35 3khg h ASP 1204Ca 0.11 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 3khg h ASP 1204Cb 0.76 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.53 3khg h ASP 1204CO 0.06 0.00 -0.02 0.71 -1.57 0.00 0.00 179.24 178.42 3khg h THR 1205N 0.00 0.40 0.00 0.35 1.35 -1.69 -0.49 112.91 112.83 3khg h THR 1205Ca 0.03 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3khg h THR 1205Cb 0.30 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3khg h THR 1205CO -0.00 0.02 0.00 -0.07 -0.25 0.00 0.00 175.52 175.22 3khg h LEU 1206N 0.00 0.00 -0.53 3.87 3.38 -1.39 -3.32 115.31 117.33 3khg h LEU 1206Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3khg h LEU 1206Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3khg h LEU 1206CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 3khg n SER 1207N -2.74 0.77 -3.71 -0.43 7.64 -0.19 -4.75 113.62 110.21 3khg n SER 1207Ca 0.03 -2.00 -0.14 0.00 1.01 0.00 0.00 58.87 57.77 3khg n SER 1207Cb 0.40 -0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 63.41 3khg n SER 1207CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3khg s ILE 1208N -1.80 0.01 0.37 0.44 -4.36 -1.25 -5.15 121.20 109.46 3khg s ILE 1208Ca 0.09 -0.12 -0.28 0.00 -0.26 0.00 0.00 60.65 60.08 3khg s ILE 1208Cb 0.05 -0.66 -0.11 0.00 1.25 0.00 0.00 42.46 43.00 3khg s ILE 1208CO 0.06 -0.06 1.43 -1.61 0.24 0.00 0.00 174.94 175.00 3khg s GLU 1209N -0.28 4.16 0.00 0.37 2.02 -1.26 -4.85 118.70 118.85 3khg s GLU 1209Ca -0.04 2.46 0.08 0.00 0.02 0.00 0.00 54.97 57.48 3khg s GLU 1209Cb -0.03 -2.98 0.43 0.00 0.10 0.00 0.00 34.13 31.65 3khg s GLU 1209CO 0.02 -0.44 1.10 1.97 0.02 0.00 0.00 175.26 177.93 3khg n PHE 1210N 0.52 0.00 0.09 1.61 1.16 -1.26 -0.10 117.46 119.48 3khg n PHE 1210Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 57.45 55.59 3khg n PHE 1210Cb 0.40 -0.24 -0.03 0.00 -1.61 0.00 0.00 39.48 38.00 3khg n PHE 1210CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 3khg h ASP 1211N 0.00 0.00 0.65 5.98 3.32 -1.99 -2.78 116.42 121.60 3khg h ASP 1211Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3khg h ASP 1211Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3khg h ASP 1211CO 0.00 0.61 -0.22 0.50 -1.72 0.00 0.00 179.24 178.41 3khg h LYS 1212N 0.00 0.00 0.11 3.56 1.63 -0.84 -3.02 116.57 118.00 3khg h LYS 1212Ca -0.06 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.39 3khg h LYS 1212Cb 1.52 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.13 3khg h LYS 1212CO 0.07 0.22 -1.94 -0.11 -3.45 0.00 0.00 179.45 174.24 3khg n LEU 1213N -3.56 2.56 -0.37 5.20 7.94 -1.25 -4.42 117.00 123.10 3khg n LEU 1213Ca -0.01 0.22 0.03 0.00 -1.11 0.00 0.00 56.01 55.15 3khg n LEU 1213Cb 0.37 -1.10 0.10 0.00 0.53 0.00 0.00 43.42 43.32 3khg n LEU 1213CO 0.33 0.79 0.63 0.50 -1.11 0.00 0.00 177.39 178.54 3khg h LYS 1214N -0.05 -0.00 0.00 1.96 3.64 -1.37 -1.28 116.57 119.47 3khg h LYS 1214Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3khg h LYS 1214Cb 1.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 3khg h LYS 1214CO 0.05 -0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.64 3khg n GLY 1215N -1.57 -1.09 0.02 5.01 0.00 -1.18 0.42 105.19 106.79 3khg n GLY 1215Ca 0.14 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3khg n GLY 1215CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3khg n MET 1216N -1.17 0.69 0.00 1.61 1.56 -0.52 -4.82 117.12 114.47 3khg n MET 1216Ca 0.17 -0.13 0.00 0.00 -0.27 0.00 0.00 57.70 57.47 3khg n MET 1216Cb 0.17 -1.41 0.00 0.00 2.15 0.00 0.00 33.22 34.14 3khg n MET 1216CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 3khg n ILE 1217N -2.19 0.00 -1.25 1.12 -5.35 -0.97 -5.06 119.36 105.66 3khg n ILE 1217Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 3khg n ILE 1217Cb 0.56 1.42 0.00 0.00 -1.74 0.00 0.00 39.64 39.88 3khg n ILE 1217CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khg n GLY 1218N 0.00 -2.37 0.04 3.28 0.00 0.17 -4.63 105.19 101.67 3khg n GLY 1218Ca 0.00 -1.58 -0.00 0.00 0.00 0.00 0.00 46.02 44.44 3khg n GLY 1218CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3khg h GLU 1219N 0.00 -0.01 -1.00 1.61 4.81 -1.95 -3.33 114.58 114.72 3khg h GLU 1219Ca 0.00 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.41 3khg h GLU 1219Cb 0.00 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.28 3khg h GLU 1219CO 0.00 -0.00 0.60 0.00 -0.73 0.00 0.00 179.01 178.88 3khg h ALA 1220N -1.34 1.64 -0.27 2.92 0.00 -1.98 0.68 119.26 120.90 3khg h ALA 1220Ca -0.00 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3khg h ALA 1220Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3khg h ALA 1220CO 0.00 -0.03 -0.07 0.87 0.00 0.00 0.00 179.25 180.02 3khg h LYS 1221N 0.78 0.53 -0.61 0.00 6.56 -1.82 -1.23 116.57 120.78 3khg h LYS 1221Ca 0.57 -0.21 -0.05 0.00 -1.06 0.00 0.00 60.65 59.91 3khg h LYS 1221Cb 0.85 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.46 3khg h LYS 1221CO -0.37 0.74 0.20 0.00 -2.06 0.00 0.00 179.45 177.96 3khg h ALA 1222N 0.77 0.80 0.01 3.86 0.00 -1.02 0.25 119.26 123.94 3khg h ALA 1222Ca 0.07 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 3khg h ALA 1222Cb 0.55 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3khg h ALA 1222CO 0.03 0.46 -0.88 1.57 0.00 0.00 0.00 179.25 180.43 3khg h LYS 1223N 0.87 0.06 0.60 0.00 2.10 -1.32 -2.74 116.57 116.15 3khg h LYS 1223Ca 0.20 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.75 3khg h LYS 1223Cb 0.27 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3khg h LYS 1223CO -0.01 0.90 -0.32 -0.92 -2.00 0.00 0.00 179.45 177.10 3khg h TYR 1224N 0.03 -0.84 -0.03 0.07 3.20 -0.96 -1.35 116.97 117.09 3khg h TYR 1224Ca -0.02 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 3khg h TYR 1224Cb 1.53 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 3khg h TYR 1224CO 0.01 -0.51 -0.08 -0.07 -1.64 0.00 0.00 178.16 175.87 3khg h LEU 1225N -0.86 0.04 -0.06 2.82 3.38 -1.00 -2.44 115.31 117.19 3khg h LEU 1225Ca -0.08 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 3khg h LEU 1225Cb 0.67 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.42 3khg h LEU 1225CO 0.11 0.13 -0.66 0.40 0.09 0.00 0.00 178.44 178.52 3khg h ILE 1226N 0.05 1.36 0.00 1.22 2.04 -1.35 -0.33 117.51 120.49 3khg h ILE 1226Ca 0.01 -1.99 -0.03 0.00 1.00 0.00 0.00 64.86 63.85 3khg h ILE 1226Cb 0.17 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3khg h ILE 1226CO 0.01 0.60 -0.14 0.77 0.00 0.00 0.00 178.15 179.39 3khg h SER 1227N 0.15 0.00 0.34 1.72 4.64 -0.94 0.38 113.55 119.84 3khg h SER 1227Ca -0.06 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.03 3khg h SER 1227Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3khg h SER 1227CO 0.13 0.14 -0.94 -0.07 -0.87 0.00 0.00 176.83 175.23 3khg h LEU 1228N 0.00 0.52 -2.00 5.97 3.38 -1.40 0.37 115.31 122.15 3khg h LEU 1228Ca -0.00 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 3khg h LEU 1228Cb 0.35 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3khg h LEU 1228CO 0.02 1.21 -0.09 0.00 0.09 0.00 0.00 178.44 179.67 3khg h ALA 1229N 0.75 1.27 0.00 1.53 0.00 0.14 -2.61 119.26 120.34 3khg h ALA 1229Ca -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3khg h ALA 1229Cb 1.57 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 3khg h ALA 1229CO 0.16 0.12 -0.32 -2.13 0.00 0.00 0.00 179.25 177.08 3khg n ARG 1230N -3.59 1.46 -0.58 0.00 0.63 0.33 -4.89 116.66 110.03 3khg n ARG 1230Ca -0.02 -3.02 0.00 0.00 -0.92 0.00 0.00 57.85 53.89 3khg n ARG 1230Cb 0.22 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.57 3khg n ARG 1230CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3khg n ASP 1231N -1.22 0.00 -0.82 6.15 5.68 -0.99 -4.83 116.55 120.53 3khg n ASP 1231Ca 0.18 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.54 3khg n ASP 1231Cb 0.68 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.85 3khg n ASP 1231CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3khg n GLU 1232N -0.11 2.80 -2.20 0.11 1.02 0.12 -4.99 120.64 117.38 3khg n GLU 1232Ca 0.00 -2.19 -0.43 0.00 -0.02 0.00 0.00 57.16 54.52 3khg n GLU 1232Cb 0.00 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 3khg n GLU 1232CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3khg s TYR 1233N -1.00 2.36 -0.01 -0.32 5.04 -0.41 -4.87 117.35 118.13 3khg s TYR 1233Ca 0.30 0.59 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 3khg s TYR 1233Cb 0.15 -3.78 -0.00 0.00 0.35 0.00 0.00 41.96 38.69 3khg s TYR 1233CO 0.20 -2.79 0.26 -1.71 -1.34 0.00 0.00 175.55 170.17 3khg n ASN 1234N 7.20 0.52 -4.55 4.32 2.85 -1.26 -4.91 115.26 119.43 3khg n ASN 1234Ca 0.16 -0.76 -0.51 0.00 -0.11 0.00 0.00 54.58 53.36 3khg n ASN 1234Cb 0.44 0.49 -0.05 0.00 1.24 0.00 0.00 39.78 41.90 3khg n ASN 1234CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3khg n GLU 1235N -0.49 0.83 -3.44 1.20 -0.58 -1.26 -4.94 120.64 111.96 3khg n GLU 1235Ca 0.00 0.30 -0.33 0.00 -0.42 0.00 0.00 57.16 56.71 3khg n GLU 1235Cb 0.00 -1.77 -0.05 0.00 -0.57 0.00 0.00 31.44 29.04 3khg n GLU 1235CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3khg s PRO 1236N -0.21 3.81 0.12 3.49 0.04 -1.26 -4.65 135.00 136.34 3khg s PRO 1236Ca 0.78 0.27 -0.31 0.00 0.04 0.00 0.00 61.00 61.78 3khg s PRO 1236Cb -0.96 -2.74 -0.09 0.00 0.04 0.00 0.00 34.50 30.76 3khg s PRO 1236CO 0.52 0.37 1.48 0.42 0.04 0.00 0.00 177.00 179.84 3khg s ILE 1237N -1.71 3.06 -0.22 0.56 1.09 -1.26 -5.00 121.20 117.71 3khg s ILE 1237Ca 0.44 0.72 -0.13 0.00 -1.10 0.00 0.00 60.65 60.58 3khg s ILE 1237Cb -0.12 -3.46 0.07 0.00 -1.06 0.00 0.00 42.46 37.89 3khg s ILE 1237CO 0.21 0.05 0.55 0.00 -0.10 0.00 0.00 174.94 175.64 3khg s ARG 1238N 1.39 0.56 -0.23 2.79 1.04 -1.26 -4.86 118.95 118.38 3khg s ARG 1238Ca 0.68 0.97 -0.32 0.00 -1.04 0.00 0.00 55.73 56.02 3khg s ARG 1238Cb -0.39 0.09 -0.09 0.00 -2.04 0.00 0.00 34.95 32.51 3khg s ARG 1238CO 0.30 -0.15 2.13 0.25 -0.04 0.00 0.00 175.30 177.79 3khg n THR 1239N 4.11 0.36 -2.12 4.99 -2.24 -1.26 -4.69 114.28 113.43 3khg n THR 1239Ca -0.21 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 3khg n THR 1239Cb 0.57 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 3khg n THR 1239CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3khg s ARG 1240N 5.72 3.68 0.07 -0.78 1.81 -1.26 -5.04 118.95 123.15 3khg s ARG 1240Ca 1.02 1.95 0.06 0.00 -1.72 0.00 0.00 55.73 57.04 3khg s ARG 1240Cb -0.61 -2.46 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 3khg s ARG 1240CO 0.44 -0.66 -0.10 0.08 -0.68 0.00 0.00 175.30 174.38 3khg s VAL 1241N -1.43 3.35 -0.18 3.52 1.01 -1.26 -4.89 120.40 120.51 3khg s VAL 1241Ca 0.64 -1.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 3khg s VAL 1241Cb -0.33 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3khg s VAL 1241CO 0.40 0.21 2.11 -0.60 0.00 0.00 0.00 175.10 177.23 3khg s ARG 1242N -1.90 3.35 0.00 2.72 6.06 -1.26 -4.87 118.95 123.05 3khg s ARG 1242Ca 0.19 2.06 0.24 0.00 -2.50 0.00 0.00 55.73 55.72 3khg s ARG 1242Cb -0.11 -4.31 0.31 0.00 0.06 0.00 0.00 34.95 30.90 3khg s ARG 1242CO 0.11 -1.85 1.28 1.63 -2.50 0.00 0.00 175.30 173.97 3khg n LYS 1243N 8.47 0.49 -3.56 5.12 5.02 -1.26 -4.97 118.16 127.47 3khg n LYS 1243Ca 0.27 -0.34 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 3khg n LYS 1243Cb 0.44 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 3khg n LYS 1243CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3khg s SER 1244N -2.75 -0.47 -0.04 4.39 0.15 -1.26 -3.84 113.70 109.88 3khg s SER 1244Ca 0.16 0.49 -0.03 0.00 0.70 0.00 0.00 55.95 57.28 3khg s SER 1244Cb 0.18 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.89 3khg s SER 1244CO 0.66 -0.44 0.09 -0.63 1.20 0.00 0.00 173.24 174.12 3khg s ILE 1245N -1.21 -0.02 0.00 6.45 1.01 -0.74 -4.98 121.20 121.71 3khg s ILE 1245Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3khg s ILE 1245Cb -0.00 -0.15 0.00 0.00 0.01 0.00 0.00 42.46 42.32 3khg s ILE 1245CO 0.04 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.62 3khg n GLY 1246N 3.45 1.35 3.62 6.18 0.00 -1.26 0.59 105.19 119.12 3khg n GLY 1246Ca -0.18 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 3khg n GLY 1246CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3khg s ARG 1247N -1.86 0.43 -0.36 1.61 6.06 -0.59 -4.80 118.95 119.44 3khg s ARG 1247Ca 0.00 0.33 0.01 0.00 -2.50 0.00 0.00 55.73 53.57 3khg s ARG 1247Cb 0.00 0.21 0.15 0.00 0.06 0.00 0.00 34.95 35.36 3khg s ARG 1247CO 0.00 -0.09 0.26 -1.50 -2.50 0.00 0.00 175.30 171.47 3khg s ILE 1248N -0.32 0.05 0.37 4.11 2.07 -1.26 -0.51 121.20 125.70 3khg s ILE 1248Ca 0.03 -1.64 -0.25 0.00 -1.41 0.00 0.00 60.65 57.37 3khg s ILE 1248Cb -0.03 -1.02 -0.09 0.00 0.13 0.00 0.00 42.46 41.44 3khg s ILE 1248CO -0.05 -0.92 1.03 0.68 -1.91 0.00 0.00 174.94 173.76 3khg s VAL 1249N 1.05 3.84 0.10 4.00 -7.23 -0.37 -4.77 120.40 117.02 3khg s VAL 1249Ca 0.19 1.47 -0.14 0.00 -1.81 0.00 0.00 61.98 61.69 3khg s VAL 1249Cb -0.19 -3.79 -0.06 0.00 0.56 0.00 0.00 36.38 32.90 3khg s VAL 1249CO -0.02 0.07 0.50 -0.89 -0.31 0.00 0.00 175.10 174.45 3khg s THR 1250N -1.61 4.91 0.30 5.32 2.01 -1.26 -1.36 115.64 123.94 3khg s THR 1250Ca 0.55 0.80 0.01 0.00 0.31 0.00 0.00 61.69 63.36 3khg s THR 1250Cb -0.22 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3khg s THR 1250CO 0.28 0.34 0.48 -0.04 -0.69 0.00 0.00 174.62 174.98 3khg s MET 1251N -1.72 3.48 0.54 4.92 -1.94 0.46 -4.98 119.30 120.07 3khg s MET 1251Ca 0.34 -0.44 0.30 0.00 -1.71 0.00 0.00 55.69 54.18 3khg s MET 1251Cb -0.16 -2.75 1.54 0.00 2.01 0.00 0.00 34.83 35.48 3khg s MET 1251CO 0.18 0.26 2.09 -0.22 -0.01 0.00 0.00 175.02 177.32 3khg h LYS 1252N 1.07 0.00 -2.02 2.03 1.63 -1.90 -3.44 116.57 113.94 3khg h LYS 1252Ca -0.50 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.24 3khg h LYS 1252Cb 1.22 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.66 3khg h LYS 1252CO 0.62 0.09 0.18 -0.98 -3.45 0.00 0.00 179.45 175.91 3khg s ARG 1253N -4.08 1.03 0.60 1.90 1.70 -1.26 -5.03 118.95 113.82 3khg s ARG 1253Ca -0.02 0.31 -0.18 0.00 -0.47 0.00 0.00 55.73 55.36 3khg s ARG 1253Cb 0.12 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.96 3khg s ARG 1253CO 0.56 -0.31 1.18 -0.80 -1.08 0.00 0.00 175.30 174.84 3khg s ASN 1254N -1.07 5.20 0.13 -2.89 0.01 -1.26 -4.91 114.94 110.14 3khg s ASN 1254Ca -0.10 2.28 -0.24 0.00 -0.71 0.00 0.00 52.86 54.09 3khg s ASN 1254Cb -0.00 -2.59 0.07 0.00 0.41 0.00 0.00 41.25 39.14 3khg s ASN 1254CO 0.09 -1.58 0.70 -0.55 -1.51 0.00 0.00 177.10 174.25 3khg s SER 1255N -1.81 -0.48 0.00 -1.22 0.15 -0.15 -4.89 113.70 105.30 3khg s SER 1255Ca 0.75 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.33 3khg s SER 1255Cb -0.27 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 3khg s SER 1255CO 0.34 -0.90 0.47 0.54 1.20 0.00 0.00 173.24 174.89 3khg n ARG 1256N -0.35 -0.67 -2.00 5.44 1.74 -1.26 -0.82 116.66 118.74 3khg n ARG 1256Ca -0.13 -0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 56.05 3khg n ARG 1256Cb 0.63 -0.97 -0.03 0.00 -1.02 0.00 0.00 32.46 31.07 3khg n ARG 1256CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3khg s ASN 1257N -0.04 6.66 0.02 0.55 3.84 -1.26 -4.93 114.94 119.77 3khg s ASN 1257Ca 0.00 2.43 -0.24 0.00 0.21 0.00 0.00 52.86 55.27 3khg s ASN 1257Cb 0.00 -2.57 -0.17 0.00 -0.55 0.00 0.00 41.25 37.96 3khg s ASN 1257CO 0.00 -0.82 1.37 0.25 -2.79 0.00 0.00 177.10 175.11 3khg h LEU 1258N 8.01 0.12 0.00 3.21 5.85 -1.99 -2.64 115.31 127.87 3khg h LEU 1258Ca -0.42 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 57.90 3khg h LEU 1258Cb 1.20 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3khg h LEU 1258CO 0.92 0.49 0.00 -0.62 -0.34 0.00 0.00 178.44 178.89 3khg n GLU 1259N -4.81 0.71 -0.02 1.25 -0.58 -1.26 -0.88 120.64 115.05 3khg n GLU 1259Ca -0.07 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.54 3khg n GLU 1259Cb 0.24 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.47 3khg n GLU 1259CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3khg n GLU 1260N -1.14 0.68 0.03 3.49 1.02 -1.22 -4.57 120.64 118.93 3khg n GLU 1260Ca 0.19 0.27 -0.12 0.00 -0.02 0.00 0.00 57.16 57.48 3khg n GLU 1260Cb 0.17 -1.74 -0.09 0.00 -0.02 0.00 0.00 31.44 29.76 3khg n GLU 1260CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3khg h ILE 1261N 0.03 1.08 -0.75 -3.67 2.04 -0.95 -3.40 117.51 111.89 3khg h ILE 1261Ca -0.36 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 64.34 3khg h ILE 1261Cb 2.03 1.80 -0.09 0.00 -0.74 0.00 0.00 36.82 39.82 3khg h ILE 1261CO 0.08 0.27 -0.44 0.29 0.00 0.00 0.00 178.15 178.35 3khg n LYS 1262N -4.88 -0.32 -0.34 2.37 5.02 -0.06 0.01 118.16 119.96 3khg n LYS 1262Ca -0.08 1.14 0.21 0.00 -2.02 0.00 0.00 58.31 57.55 3khg n LYS 1262Cb 0.28 -1.67 0.43 0.00 -0.02 0.00 0.00 35.03 34.05 3khg n LYS 1262CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3khg h PRO 1263N 0.00 0.41 -0.19 1.97 0.11 -1.85 0.28 132.00 132.74 3khg h PRO 1263Ca 0.13 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.03 3khg h PRO 1263Cb 0.31 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.34 3khg h PRO 1263CO -0.71 0.27 -0.59 1.88 -0.21 0.00 0.00 178.00 178.64 3khg h TYR 1264N 0.42 0.95 -0.00 0.65 0.05 -0.65 -0.36 116.97 118.03 3khg h TYR 1264Ca 0.69 -0.39 -0.05 0.00 0.05 0.00 0.00 58.73 59.03 3khg h TYR 1264Cb 1.47 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 39.04 3khg h TYR 1264CO -0.02 1.19 -0.25 1.25 -1.05 0.00 0.00 178.16 179.28 3khg h LEU 1265N 0.44 0.00 -0.07 3.88 5.85 -0.35 -0.25 115.31 124.81 3khg h LEU 1265Ca -0.02 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3khg h LEU 1265Cb 1.21 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3khg h LEU 1265CO 0.13 0.25 -0.26 -0.26 -0.34 0.00 0.00 178.44 177.96 3khg h PHE 1266N 0.00 0.39 -0.57 1.25 0.04 -0.49 -2.31 116.94 115.25 3khg h PHE 1266Ca -0.00 -0.16 0.12 0.00 2.80 0.00 0.00 57.97 60.72 3khg h PHE 1266Cb 0.45 -0.06 -0.10 0.00 2.20 0.00 0.00 35.95 38.43 3khg h PHE 1266CO 0.00 0.88 -0.05 -0.09 -0.60 0.00 0.00 178.31 178.45 3khg h ARG 1267N -0.21 0.07 -0.37 1.51 2.43 -0.82 0.03 114.38 117.02 3khg h ARG 1267Ca -0.01 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 3khg h ARG 1267Cb 0.90 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.34 3khg h ARG 1267CO 0.05 0.04 -0.34 0.00 -1.51 0.00 0.00 179.97 178.22 3khg h ALA 1268N 1.54 -0.23 -0.77 2.80 0.00 -0.98 -1.98 119.26 119.64 3khg h ALA 1268Ca 0.29 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 3khg h ALA 1268Cb 0.45 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3khg h ALA 1268CO -0.52 -0.75 0.27 0.82 0.00 0.00 0.00 179.25 179.07 3khg h ILE 1269N -0.28 1.26 -0.49 0.00 2.04 -0.66 -1.19 117.51 118.20 3khg h ILE 1269Ca 0.16 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 3khg h ILE 1269Cb 0.54 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3khg h ILE 1269CO -0.52 0.35 0.15 -0.33 0.00 0.00 0.00 178.15 177.79 3khg h GLU 1270N 1.13 0.76 -0.10 2.37 4.39 -0.51 0.53 114.58 123.15 3khg h GLU 1270Ca 0.25 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.63 3khg h GLU 1270Cb 0.27 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3khg h GLU 1270CO -0.01 0.72 -0.61 0.93 -1.16 0.00 0.00 179.01 178.88 3khg h GLU 1271N 0.66 0.34 -0.26 2.33 5.08 -1.28 -1.29 114.58 120.15 3khg h GLU 1271Ca 0.16 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3khg h GLU 1271Cb 0.28 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3khg h GLU 1271CO -0.00 0.84 0.10 0.77 -1.00 0.00 0.00 179.01 179.72 3khg h SER 1272N 0.25 0.36 -0.25 1.42 0.02 -0.34 -1.84 113.55 113.17 3khg h SER 1272Ca -0.01 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 3khg h SER 1272Cb 1.13 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 3khg h SER 1272CO 0.10 0.43 -0.13 1.88 -1.14 0.00 0.00 176.83 177.97 3khg h TYR 1273N 0.27 0.73 -0.74 3.45 0.05 0.06 -2.52 116.97 118.26 3khg h TYR 1273Ca 0.09 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 58.75 3khg h TYR 1273Cb 0.19 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 3khg h TYR 1273CO -0.01 0.77 0.48 -0.92 -1.05 0.00 0.00 178.16 177.43 3khg h TYR 1274N 0.61 0.91 -0.57 4.88 3.20 -1.00 -2.90 116.97 122.10 3khg h TYR 1274Ca 0.10 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3khg h TYR 1274Cb 0.58 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3khg h TYR 1274CO 0.03 0.55 0.15 0.87 -1.64 0.00 0.00 178.16 178.11 3khg h LYS 1275N 0.97 0.91 0.12 1.82 1.57 -1.03 -3.08 116.57 117.84 3khg h LYS 1275Ca 0.28 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3khg h LYS 1275Cb -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3khg h LYS 1275CO -0.08 0.84 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.45 3khg h LEU 1276N 0.82 -0.33 0.00 2.94 3.38 -1.37 -3.48 115.31 117.28 3khg h LEU 1276Ca 0.18 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3khg h LEU 1276Cb 0.34 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3khg h LEU 1276CO 0.00 -0.19 0.00 -0.67 0.09 0.00 0.00 178.44 177.67 3khg n ASP 1277N -5.24 0.00 0.00 -0.43 4.64 -1.10 -2.96 116.55 111.46 3khg n ASP 1277Ca -0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.34 3khg n ASP 1277Cb 0.16 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.24 3khg n ASP 1277CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3khg n LYS 1278N 0.30 0.00 -3.63 -0.67 4.76 -1.26 -5.10 118.16 112.56 3khg n LYS 1278Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 3khg n LYS 1278Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 3khg n LYS 1278CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3khg s ARG 1279N 0.00 4.20 -0.35 1.97 0.52 -1.16 -5.07 118.95 119.07 3khg s ARG 1279Ca 0.00 -0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.05 3khg s ARG 1279Cb 0.00 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 32.06 3khg s ARG 1279CO 0.00 0.28 0.19 0.42 0.02 0.00 0.00 175.30 176.21 3khg s ILE 1280N 0.37 4.66 0.40 1.52 -1.09 -1.26 -4.90 121.20 120.90 3khg s ILE 1280Ca 0.13 -0.64 -0.20 0.00 -2.23 0.00 0.00 60.65 57.70 3khg s ILE 1280Cb -0.12 -3.50 -0.10 0.00 -1.58 0.00 0.00 42.46 37.16 3khg s ILE 1280CO 0.01 -0.11 0.91 -2.16 -1.23 0.00 0.00 174.94 172.36 3khg s PRO 1281N 1.59 4.22 -0.09 2.79 0.04 -1.26 -3.64 135.00 138.66 3khg s PRO 1281Ca 0.03 1.05 0.17 0.00 0.04 0.00 0.00 61.00 62.30 3khg s PRO 1281Cb -0.18 -2.30 -0.26 0.00 0.04 0.00 0.00 34.50 31.80 3khg s PRO 1281CO 0.07 0.04 0.26 1.63 0.04 0.00 0.00 177.00 179.04 3khg n LYS 1282N -0.44 0.82 -5.21 4.56 5.02 0.14 -1.14 118.16 121.91 3khg n LYS 1282Ca 0.06 -0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 55.94 3khg n LYS 1282Cb 0.53 -1.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.94 3khg n LYS 1282CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khg s ALA 1283N -2.93 2.15 -0.05 7.82 0.00 -0.12 -1.26 121.76 127.37 3khg s ALA 1283Ca -0.08 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.78 3khg s ALA 1283Cb 0.09 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3khg s ALA 1283CO 0.75 0.52 -0.13 -1.50 0.00 0.00 0.00 175.76 175.40 3khg s ILE 1284N -0.64 1.11 -0.09 0.00 2.07 -0.86 0.40 121.20 123.19 3khg s ILE 1284Ca 0.10 -0.51 0.04 0.00 -1.41 0.00 0.00 60.65 58.88 3khg s ILE 1284Cb -0.10 -0.99 -0.00 0.00 0.13 0.00 0.00 42.46 41.50 3khg s ILE 1284CO -0.00 0.34 -0.23 -1.00 -1.91 0.00 0.00 174.94 172.13 3khg s HIS 1285N 0.36 2.55 0.10 3.50 3.76 0.55 -2.45 115.29 123.65 3khg s HIS 1285Ca -0.08 -0.91 -0.18 0.00 -0.15 0.00 0.00 55.06 53.74 3khg s HIS 1285Cb -0.13 -1.69 -0.07 0.00 1.11 0.00 0.00 32.58 31.81 3khg s HIS 1285CO 0.02 -0.33 0.57 0.08 -0.85 0.00 0.00 174.74 174.23 3khg s VAL 1286N 0.18 4.76 -0.04 -0.90 1.01 0.93 -0.48 120.40 125.86 3khg s VAL 1286Ca -0.13 1.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 3khg s VAL 1286Cb -0.16 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.40 3khg s VAL 1286CO 0.07 0.46 0.07 -0.69 0.00 0.00 0.00 175.10 175.01 3khg s VAL 1287N -1.23 -0.10 -0.02 2.92 1.01 0.20 -0.99 120.40 122.19 3khg s VAL 1287Ca 0.32 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.67 3khg s VAL 1287Cb -0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3khg s VAL 1287CO 0.19 0.12 -0.25 0.00 0.00 0.00 0.00 175.10 175.16 3khg s ALA 1288N 1.57 2.13 -0.20 5.51 0.00 -1.26 -0.83 121.76 128.67 3khg s ALA 1288Ca -0.03 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 3khg s ALA 1288Cb -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 3khg s ALA 1288CO -0.04 0.51 -0.00 0.08 0.00 0.00 0.00 175.76 176.31 3khg s VAL 1289N -0.54 3.92 0.92 0.00 1.01 0.21 -2.45 120.40 123.46 3khg s VAL 1289Ca 0.08 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 3khg s VAL 1289Cb -0.10 -2.77 0.15 0.00 0.00 0.00 0.00 36.38 33.65 3khg s VAL 1289CO -0.00 0.43 1.18 0.42 0.00 0.00 0.00 175.10 177.13 3khg s THR 1290N 1.01 1.97 0.10 3.92 -4.23 -0.84 0.13 115.64 117.69 3khg s THR 1290Ca 0.02 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.47 3khg s THR 1290Cb -0.14 -2.85 0.13 0.00 1.34 0.00 0.00 72.50 70.97 3khg s THR 1290CO 0.02 0.00 0.63 -0.62 -0.54 0.00 0.00 174.62 174.11 3khg n GLU 1291N -3.72 -0.08 0.00 3.99 1.02 0.12 -3.64 120.64 118.34 3khg n GLU 1291Ca 0.09 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 3khg n GLU 1291Cb 0.60 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 3khg n GLU 1291CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3khg n ASP 1292N -4.62 0.00 -2.72 1.62 5.75 -1.26 -4.94 116.55 110.38 3khg n ASP 1292Ca 0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.79 3khg n ASP 1292Cb 0.18 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.29 3khg n ASP 1292CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3khg n LEU 1293N 0.00 -2.66 -4.41 -2.12 -0.00 -1.24 -5.02 117.00 101.55 3khg n LEU 1293Ca 0.00 -2.17 -0.21 0.00 -0.00 0.00 0.00 56.01 53.64 3khg n LEU 1293Cb 0.00 0.68 -0.10 0.00 -0.00 0.00 0.00 43.42 44.00 3khg n LEU 1293CO 0.00 1.65 -0.42 -0.62 -0.00 0.00 0.00 177.39 177.99 3khg s ASP 1294N 0.83 2.89 -0.08 1.45 -1.08 -1.26 -4.90 116.67 114.52 3khg s ASP 1294Ca 0.28 -1.08 0.04 0.00 -0.52 0.00 0.00 52.55 51.27 3khg s ASP 1294Cb 0.06 -0.19 -0.01 0.00 -1.46 0.00 0.00 42.92 41.32 3khg s ASP 1294CO -0.08 -0.18 -0.23 -0.63 0.52 0.00 0.00 175.17 174.57 3khg s ILE 1295N -2.88 2.20 -0.48 4.11 1.09 -1.26 -1.99 121.20 121.99 3khg s ILE 1295Ca 0.27 -0.99 0.08 0.00 -1.10 0.00 0.00 60.65 58.91 3khg s ILE 1295Cb -0.00 -1.83 0.31 0.00 -1.06 0.00 0.00 42.46 39.87 3khg s ILE 1295CO 0.10 0.56 0.76 0.52 -0.10 0.00 0.00 174.94 176.78 3khg n VAL 1296N 3.25 1.13 -2.70 2.92 0.31 -1.03 -5.00 118.33 117.22 3khg n VAL 1296Ca -0.18 -4.88 -0.43 0.00 -0.01 0.00 0.00 64.34 58.84 3khg n VAL 1296Cb 0.53 -1.27 -0.03 0.00 -0.91 0.00 0.00 33.84 32.16 3khg n VAL 1296CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3khg s SER 1297N -2.49 6.62 0.01 4.52 1.04 -1.26 -4.16 113.70 117.97 3khg s SER 1297Ca 0.42 0.42 0.08 0.00 0.48 0.00 0.00 55.95 57.35 3khg s SER 1297Cb 0.26 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.85 3khg s SER 1297CO -0.09 -1.11 -0.24 -0.13 0.98 0.00 0.00 173.24 172.65 3khg s ARG 1298N 4.04 1.82 -0.03 4.02 1.81 -0.16 -4.96 118.95 125.49 3khg s ARG 1298Ca 0.43 -0.92 -0.30 0.00 -1.72 0.00 0.00 55.73 53.22 3khg s ARG 1298Cb -0.09 -1.84 0.11 0.00 -0.45 0.00 0.00 34.95 32.68 3khg s ARG 1298CO 0.27 0.49 0.93 0.20 -0.68 0.00 0.00 175.30 176.52 3khg s GLY 1299N -0.80 -0.44 0.00 -3.53 0.00 -1.26 -0.05 107.32 101.25 3khg s GLY 1299Ca 0.10 1.11 0.02 0.00 0.00 0.00 0.00 44.72 45.95 3khg s GLY 1299CO 0.00 0.37 -0.01 -1.60 0.00 0.00 0.00 173.10 171.86 3khg s ARG 1300N -3.00 2.72 -0.18 2.90 3.52 -1.03 -4.97 118.95 118.92 3khg s ARG 1300Ca 0.06 -0.64 -0.06 0.00 -0.13 0.00 0.00 55.73 54.95 3khg s ARG 1300Cb -0.01 -2.63 -0.03 0.00 -1.56 0.00 0.00 34.95 30.72 3khg s ARG 1300CO -0.08 0.62 0.02 0.99 -0.81 0.00 0.00 175.30 176.03 3khg s THR 1301N -1.07 4.37 0.33 4.11 2.01 -1.26 -2.03 115.64 122.09 3khg s THR 1301Ca 0.19 -0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.08 3khg s THR 1301Cb -0.11 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 3khg s THR 1301CO 0.10 0.46 0.42 -0.36 -0.69 0.00 0.00 174.62 174.55 3khg s PHE 1302N 0.48 3.08 -0.82 4.92 0.40 -0.39 -5.00 117.98 120.65 3khg s PHE 1302Ca 0.00 -0.23 0.11 0.00 -0.60 0.00 0.00 56.93 56.21 3khg s PHE 1302Cb -0.13 -1.91 0.52 0.00 0.51 0.00 0.00 43.02 42.01 3khg s PHE 1302CO 0.02 0.07 1.34 -0.35 0.70 0.00 0.00 175.22 177.00 3khg n PRO 1303N -1.55 3.29 -4.13 0.24 -0.04 -1.26 -4.81 135.00 126.73 3khg n PRO 1303Ca -0.01 -2.03 -0.15 0.00 -0.04 0.00 0.00 63.50 61.26 3khg n PRO 1303Cb 0.58 -1.88 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 3khg n PRO 1303CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3khg s HIS 1304N -1.99 1.17 0.41 0.54 -3.43 -1.26 -5.16 115.29 105.57 3khg s HIS 1304Ca 0.36 -1.34 -0.24 0.00 -0.80 0.00 0.00 55.06 53.03 3khg s HIS 1304Cb 0.25 -0.22 -0.09 0.00 -1.43 0.00 0.00 32.58 31.10 3khg s HIS 1304CO 0.13 -1.05 1.08 0.20 -2.00 0.00 0.00 174.74 173.10 3khg s GLY 1305N -3.25 2.76 -0.38 -1.38 0.00 -1.26 -4.52 107.32 99.30 3khg s GLY 1305Ca 0.33 0.77 -0.21 0.00 0.00 0.00 0.00 44.72 45.61 3khg s GLY 1305CO 0.21 1.22 0.66 -0.42 0.00 0.00 0.00 173.10 174.77 3khg s ILE 1306N -1.60 4.85 0.60 0.90 1.01 -0.29 -5.01 121.20 121.66 3khg s ILE 1306Ca 0.58 0.52 -0.13 0.00 0.00 0.00 0.00 60.65 61.62 3khg s ILE 1306Cb -0.24 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 3khg s ILE 1306CO 0.30 -0.39 1.03 -0.94 0.00 0.00 0.00 174.94 174.93 3khg s SER 1307N 1.85 6.14 0.35 3.58 1.04 -1.26 -4.68 113.70 120.72 3khg s SER 1307Ca 0.25 1.56 0.14 0.00 0.48 0.00 0.00 55.95 58.37 3khg s SER 1307Cb -0.14 -2.50 0.99 0.00 0.10 0.00 0.00 66.02 64.48 3khg s SER 1307CO 0.16 -0.93 1.73 0.50 0.98 0.00 0.00 173.24 175.69 3khg h LYS 1308N 0.10 0.47 0.14 4.02 1.63 -1.98 -0.59 116.57 120.35 3khg h LYS 1308Ca -0.45 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 3khg h LYS 1308Cb 1.20 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 3khg h LYS 1308CO 0.60 0.31 -0.07 0.93 -3.45 0.00 0.00 179.45 177.77 3khg h GLU 1309N 0.48 -0.18 0.00 1.90 3.07 -1.99 0.16 114.58 118.02 3khg h GLU 1309Ca 0.65 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.48 3khg h GLU 1309Cb 1.41 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.36 3khg h GLU 1309CO -0.43 0.13 -0.18 1.79 -1.40 0.00 0.00 179.01 178.93 3khg h THR 1310N -0.51 0.66 0.50 1.13 1.35 -1.85 0.14 112.91 114.33 3khg h THR 1310Ca -0.02 -0.76 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 3khg h THR 1310Cb 0.40 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3khg h THR 1310CO 0.03 0.17 -0.52 0.00 -0.25 0.00 0.00 175.52 174.96 3khg h ALA 1311N 1.82 -1.16 -0.93 6.62 0.00 -0.64 0.22 119.26 125.20 3khg h ALA 1311Ca -0.00 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3khg h ALA 1311Cb 0.47 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 3khg h ALA 1311CO 0.02 -1.19 0.59 1.88 0.00 0.00 0.00 179.25 180.55 3khg h TYR 1312N -1.02 0.96 -0.05 0.00 0.05 0.24 -0.32 116.97 116.83 3khg h TYR 1312Ca -0.06 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.59 3khg h TYR 1312Cb 0.89 -0.31 0.01 0.00 1.01 0.00 0.00 36.73 38.33 3khg h TYR 1312CO -0.26 0.39 -0.55 0.77 -1.05 0.00 0.00 178.16 177.45 3khg h SER 1313N 0.84 0.58 0.03 3.88 0.02 -0.55 -3.10 113.55 115.25 3khg h SER 1313Ca 0.45 -0.70 -0.23 0.00 -0.84 0.00 0.00 61.79 60.48 3khg h SER 1313Cb 0.56 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 62.95 3khg h SER 1313CO -0.22 1.19 -0.90 -0.08 -1.14 0.00 0.00 176.83 175.68 3khg h GLU 1314N 0.01 0.55 -0.71 3.45 4.57 -0.40 -2.52 114.58 119.54 3khg h GLU 1314Ca -0.05 -0.64 0.14 0.00 -1.18 0.00 0.00 59.36 57.62 3khg h GLU 1314Cb 1.22 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 29.91 3khg h GLU 1314CO 0.11 1.25 0.23 0.66 -1.18 0.00 0.00 179.01 180.09 3khg h SER 1315N 0.13 0.16 0.17 1.04 4.64 -1.18 0.34 113.55 118.85 3khg h SER 1315Ca -0.12 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3khg h SER 1315Cb 1.60 0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.81 3khg h SER 1315CO 0.18 0.06 -0.09 0.58 -0.87 0.00 0.00 176.83 176.68 3khg h VAL 1316N 0.37 0.81 -0.15 0.95 2.07 -1.49 0.34 116.25 119.14 3khg h VAL 1316Ca 0.39 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.95 3khg h VAL 1316Cb 0.60 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3khg h VAL 1316CO -0.42 0.00 0.13 0.11 0.02 0.00 0.00 177.57 177.41 3khg h LYS 1317N -0.24 0.00 0.18 1.57 1.57 -0.70 0.49 116.57 119.43 3khg h LYS 1317Ca -0.02 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 3khg h LYS 1317Cb 0.20 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.53 3khg h LYS 1317CO 0.03 0.00 -1.02 -0.07 -0.57 0.00 0.00 179.45 177.82 3khg h LEU 1318N 0.00 0.58 -1.08 2.94 3.38 0.13 -2.18 115.31 119.08 3khg h LEU 1318Ca 0.07 -0.94 -0.09 0.00 0.09 0.00 0.00 57.88 57.01 3khg h LEU 1318Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3khg h LEU 1318CO -0.00 1.49 -0.31 0.25 0.09 0.00 0.00 178.44 179.96 3khg h LEU 1319N -0.22 0.26 -0.25 1.67 5.85 -0.22 0.44 115.31 122.84 3khg h LEU 1319Ca -0.18 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3khg h LEU 1319Cb 1.80 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 3khg h LEU 1319CO 0.19 0.57 0.14 1.56 -0.34 0.00 0.00 178.44 180.55 3khg h GLN 1320N 0.23 0.28 -0.68 1.25 4.20 -0.12 -2.34 115.11 117.93 3khg h GLN 1320Ca 0.03 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3khg h GLN 1320Cb 0.67 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 3khg h GLN 1320CO 0.05 0.18 0.25 -0.22 -0.67 0.00 0.00 178.83 178.42 3khg h LYS 1321N 0.29 1.02 -0.16 1.46 3.64 -0.62 0.11 116.57 122.31 3khg h LYS 1321Ca 0.10 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 3khg h LYS 1321Cb 0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3khg h LYS 1321CO -0.06 0.85 -0.46 0.82 -2.27 0.00 0.00 179.45 178.34 3khg h ILE 1322N 1.00 1.32 0.00 2.00 2.04 -0.85 0.70 117.51 123.72 3khg h ILE 1322Ca 0.23 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.44 3khg h ILE 1322Cb 0.23 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3khg h ILE 1322CO -0.02 0.50 -0.49 0.18 0.00 0.00 0.00 178.15 178.33 3khg n LEU 1323N -3.99 0.64 -1.26 1.44 4.32 -0.89 -1.52 117.00 115.74 3khg n LEU 1323Ca -0.02 0.25 0.12 0.00 -0.02 0.00 0.00 56.01 56.34 3khg n LEU 1323Cb 0.53 -0.23 0.28 0.00 -1.62 0.00 0.00 43.42 42.39 3khg n LEU 1323CO 0.44 -0.04 0.75 -0.62 -1.22 0.00 0.00 177.39 176.70 3khg n GLU 1324N -2.00 2.66 -0.72 3.23 1.02 0.36 -4.29 120.64 120.90 3khg n GLU 1324Ca 0.04 -2.53 0.01 0.00 -0.02 0.00 0.00 57.16 54.67 3khg n GLU 1324Cb 0.42 -1.54 0.01 0.00 -0.02 0.00 0.00 31.44 30.30 3khg n GLU 1324CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3khg n GLU 1325N 1.56 0.04 -3.64 3.49 1.02 0.21 -4.99 120.64 118.32 3khg n GLU 1325Ca 0.22 -1.27 -0.03 0.00 -0.02 0.00 0.00 57.16 56.06 3khg n GLU 1325Cb 0.61 -0.41 -0.07 0.00 -0.02 0.00 0.00 31.44 31.55 3khg n GLU 1325CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3khg s ASP 1326N -1.28 -0.31 -0.07 1.62 -1.08 -0.57 -4.97 116.67 110.01 3khg s ASP 1326Ca 0.09 0.53 0.14 0.00 -0.52 0.00 0.00 52.55 52.79 3khg s ASP 1326Cb 0.10 0.87 0.44 0.00 -1.46 0.00 0.00 42.92 42.87 3khg s ASP 1326CO -0.04 -0.09 1.37 -1.84 0.52 0.00 0.00 175.17 175.09 3khg n GLU 1327N 2.81 3.01 -1.39 4.34 -0.00 -1.26 -4.29 120.64 123.85 3khg n GLU 1327Ca -0.15 -2.43 -0.30 0.00 -0.00 0.00 0.00 57.16 54.28 3khg n GLU 1327Cb 0.57 -1.54 0.09 0.00 -0.00 0.00 0.00 31.44 30.56 3khg n GLU 1327CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3khg s ARG 1328N -1.68 2.16 0.35 3.44 0.52 -1.26 -5.06 118.95 117.42 3khg s ARG 1328Ca 0.34 0.91 -0.07 0.00 -0.52 0.00 0.00 55.73 56.39 3khg s ARG 1328Cb 0.22 -1.90 -0.06 0.00 0.52 0.00 0.00 34.95 33.73 3khg s ARG 1328CO 0.15 -1.64 0.65 0.15 0.02 0.00 0.00 175.30 174.64 3khg s LYS 1329N -5.00 3.68 0.13 3.54 1.02 -1.26 -4.84 119.74 117.00 3khg s LYS 1329Ca 0.61 0.19 0.07 0.00 0.02 0.00 0.00 55.97 56.86 3khg s LYS 1329Cb -0.16 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 3khg s LYS 1329CO 0.56 0.09 -0.05 0.42 -0.92 0.00 0.00 175.35 175.45 3khg s ILE 1330N -2.24 3.60 -0.04 2.17 1.01 0.00 0.15 121.20 125.86 3khg s ILE 1330Ca 0.47 -1.28 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 3khg s ILE 1330Cb -0.10 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 3khg s ILE 1330CO 0.31 0.03 -0.04 -1.14 0.00 0.00 0.00 174.94 174.11 3khg n ARG 1331N 0.39 0.08 -3.94 2.79 0.63 0.35 -0.98 116.66 115.98 3khg n ARG 1331Ca -0.12 0.03 -0.29 0.00 -0.92 0.00 0.00 57.85 56.55 3khg n ARG 1331Cb 0.53 -0.85 -0.16 0.00 0.45 0.00 0.00 32.46 32.43 3khg n ARG 1331CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3khg s ARG 1332N -2.07 1.75 0.05 -0.14 0.52 -0.97 -0.40 118.95 117.69 3khg s ARG 1332Ca -0.05 -0.54 0.04 0.00 -0.52 0.00 0.00 55.73 54.66 3khg s ARG 1332Cb 0.02 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 3khg s ARG 1332CO 0.07 -0.36 -0.02 -1.50 0.02 0.00 0.00 175.30 173.51 3khg s ILE 1333N 1.57 3.91 0.00 1.52 1.10 -0.47 0.64 121.20 129.47 3khg s ILE 1333Ca 0.02 -0.87 0.00 0.00 -0.51 0.00 0.00 60.65 59.29 3khg s ILE 1333Cb -0.14 -2.79 0.00 0.00 0.15 0.00 0.00 42.46 39.67 3khg s ILE 1333CO -0.08 0.24 0.00 0.61 -2.11 0.00 0.00 174.94 173.60 3khg n GLY 1334N 1.01 -0.25 3.11 1.50 0.00 -0.01 -1.23 105.19 109.32 3khg n GLY 1334Ca -0.13 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 3khg n GLY 1334CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3khg s VAL 1335N -2.00 0.62 -0.07 1.61 -7.23 0.33 0.62 120.40 114.28 3khg s VAL 1335Ca 0.00 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3khg s VAL 1335Cb 0.00 -1.11 0.02 0.00 0.56 0.00 0.00 36.38 35.86 3khg s VAL 1335CO 0.00 -0.60 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.53 3khg s ARG 1336N -2.61 1.12 -0.21 4.82 3.52 0.37 -1.54 118.95 124.41 3khg s ARG 1336Ca 0.00 -0.15 -0.07 0.00 -0.13 0.00 0.00 55.73 55.39 3khg s ARG 1336Cb -0.03 -1.18 -0.03 0.00 -1.56 0.00 0.00 34.95 32.15 3khg s ARG 1336CO -0.02 -0.17 0.05 -0.06 -0.81 0.00 0.00 175.30 174.29 3khg s PHE 1337N 1.36 3.13 0.12 5.12 0.08 0.20 -0.33 117.98 127.65 3khg s PHE 1337Ca -0.03 -0.23 0.10 0.00 0.12 0.00 0.00 56.93 56.89 3khg s PHE 1337Cb -0.14 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.14 3khg s PHE 1337CO -0.03 -0.13 -0.25 -1.12 -0.10 0.00 0.00 175.22 173.59 3khg s SER 1338N 0.98 3.11 -0.13 1.36 0.01 0.16 -1.78 113.70 117.41 3khg s SER 1338Ca 0.03 -0.73 -0.09 0.00 1.31 0.00 0.00 55.95 56.47 3khg s SER 1338Cb -0.14 -0.20 0.04 0.00 0.21 0.00 0.00 66.02 65.93 3khg s SER 1338CO 0.03 0.15 0.18 1.17 0.41 0.00 0.00 173.24 175.18 3khg n LYS 1339N 0.95 -4.80 0.00 12.44 3.00 -1.25 -0.95 118.16 127.54 3khg n LYS 1339Ca -0.18 3.57 0.00 0.00 -0.00 0.00 0.00 58.31 61.70 3khg n LYS 1339Cb 0.53 -4.99 0.00 0.00 0.00 0.00 0.00 35.03 30.57 3khg n LYS 1339CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3khg n PHE 1340N 1.75 0.00 -1.06 5.64 3.72 -1.26 0.26 117.46 126.50 3khg n PHE 1340Ca -0.31 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 3khg n PHE 1340Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3khg n PHE 1340CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82