#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khl s ILE 1002N 0.00 0.92 -0.09 -0.61 1.01 -1.26 -4.36 121.20 116.81 3khl s ILE 1002Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3khl s ILE 1002Cb 0.00 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 3khl s ILE 1002CO 0.00 0.34 -0.15 -0.69 0.00 0.00 0.00 174.94 174.43 3khl s VAL 1003N 1.43 2.91 -0.21 2.92 1.01 0.16 -1.72 120.40 126.89 3khl s VAL 1003Ca -0.01 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 3khl s VAL 1003Cb -0.13 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 3khl s VAL 1003CO -0.04 0.56 -0.07 -0.22 0.00 0.00 0.00 175.10 175.32 3khl s LEU 1004N -0.15 2.74 -0.08 3.92 0.20 -0.20 -2.06 118.68 123.05 3khl s LEU 1004Ca -0.01 -0.44 -0.01 0.00 0.69 0.00 0.00 54.13 54.36 3khl s LEU 1004Cb -0.14 -1.69 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 3khl s LEU 1004CO 0.03 -0.01 -0.04 0.12 -0.29 0.00 0.00 176.35 176.16 3khl s PHE 1005N 1.43 3.03 -0.08 5.38 5.36 0.11 -0.29 117.98 132.92 3khl s PHE 1005Ca 0.06 0.05 0.04 0.00 -0.96 0.00 0.00 56.93 56.12 3khl s PHE 1005Cb -0.14 -1.77 -0.00 0.00 -0.34 0.00 0.00 43.02 40.77 3khl s PHE 1005CO -0.05 0.34 -0.22 0.08 -1.46 0.00 0.00 175.22 173.91 3khl s VAL 1006N -0.71 1.87 -0.07 3.12 1.01 -0.14 -0.72 120.40 124.76 3khl s VAL 1006Ca 0.11 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 3khl s VAL 1006Cb -0.11 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.68 3khl s VAL 1006CO 0.02 0.52 0.01 -0.62 0.00 0.00 0.00 175.10 175.03 3khl s ASP 1007N 0.28 1.54 0.31 3.32 -1.08 -0.46 -1.53 116.67 119.04 3khl s ASP 1007Ca -0.15 -0.07 -0.28 0.00 -0.52 0.00 0.00 52.55 51.54 3khl s ASP 1007Cb -0.16 -0.41 -0.09 0.00 -1.46 0.00 0.00 42.92 40.80 3khl s ASP 1007CO 0.07 -0.20 1.02 -0.36 0.52 0.00 0.00 175.17 176.22 3khl s PHE 1008N 2.00 3.63 0.13 -5.34 0.08 -0.55 -0.70 117.98 117.23 3khl s PHE 1008Ca 0.05 1.76 -0.30 0.00 0.12 0.00 0.00 56.93 58.56 3khl s PHE 1008Cb -0.12 -3.10 -0.06 0.00 -0.57 0.00 0.00 43.02 39.16 3khl s PHE 1008CO -0.05 -0.17 1.04 -0.51 -0.10 0.00 0.00 175.22 175.43 3khl s ASP 1009N -1.25 7.36 -0.64 1.36 1.01 -0.82 -4.04 116.67 119.64 3khl s ASP 1009Ca 0.48 1.93 -0.08 0.00 0.71 0.00 0.00 52.55 55.59 3khl s ASP 1009Cb -0.26 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.09 3khl s ASP 1009CO 0.32 -0.17 0.15 0.00 0.21 0.00 0.00 175.17 175.68 3khl n TYR 1010N 2.77 -0.60 -0.08 4.23 0.18 -1.26 -4.55 117.16 117.84 3khl n TYR 1010Ca 0.03 0.16 -0.13 0.00 1.88 0.00 0.00 57.90 59.83 3khl n TYR 1010Cb 0.48 -1.28 -0.09 0.00 -0.38 0.00 0.00 39.34 38.06 3khl n TYR 1010CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3khl h PHE 1011N 0.06 -1.56 -0.70 -3.48 3.57 -1.95 0.12 116.94 113.01 3khl h PHE 1011Ca -0.32 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.25 3khl h PHE 1011Cb 0.65 0.72 -0.03 0.00 2.79 0.00 0.00 35.95 40.07 3khl h PHE 1011CO 0.21 -0.48 0.43 1.88 -2.23 0.00 0.00 178.31 178.12 3khl h TYR 1012N -0.44 0.90 -0.28 0.41 -1.99 -1.95 -1.77 116.97 111.86 3khl h TYR 1012Ca 0.05 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.69 3khl h TYR 1012Cb 0.58 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 3khl h TYR 1012CO -0.66 0.60 -0.25 0.00 -0.00 0.00 0.00 178.16 177.85 3khl h ALA 1013N 1.23 1.06 -0.44 3.88 0.00 -1.70 -2.22 119.26 121.06 3khl h ALA 1013Ca 0.25 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3khl h ALA 1013Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3khl h ALA 1013CO -0.05 0.57 -0.11 0.37 0.00 0.00 0.00 179.25 180.04 3khl h GLN 1014N 0.48 0.86 -0.72 0.00 4.15 -0.27 -1.49 115.11 118.11 3khl h GLN 1014Ca 0.07 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3khl h GLN 1014Cb 0.68 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.29 3khl h GLN 1014CO 0.05 0.96 0.46 0.28 -1.93 0.00 0.00 178.83 178.66 3khl h VAL 1015N 0.69 1.19 -0.82 2.39 2.07 -1.15 -0.44 116.25 120.19 3khl h VAL 1015Ca 0.11 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3khl h VAL 1015Cb 0.65 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3khl h VAL 1015CO 0.04 0.19 0.53 -0.33 0.02 0.00 0.00 177.57 178.02 3khl h GLU 1016N 0.97 1.03 -0.59 1.57 4.39 -1.14 -1.17 114.58 119.64 3khl h GLU 1016Ca 0.26 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 3khl h GLU 1016Cb -0.09 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.30 3khl h GLU 1016CO -0.05 0.68 0.12 0.93 -1.16 0.00 0.00 179.01 179.53 3khl h GLU 1017N 1.06 0.93 -0.51 2.33 5.08 -0.64 -0.89 114.58 121.94 3khl h GLU 1017Ca 0.31 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3khl h GLU 1017Cb -0.06 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3khl h GLU 1017CO -0.09 0.84 -0.00 0.28 -1.00 0.00 0.00 179.01 179.04 3khl h VAL 1018N 0.89 1.25 -0.01 3.13 2.07 -0.55 -2.51 116.25 120.52 3khl h VAL 1018Ca 0.19 -1.04 -0.15 0.00 0.82 0.00 0.00 66.70 66.52 3khl h VAL 1018Cb 0.35 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3khl h VAL 1018CO 0.00 0.37 -0.69 -0.07 0.02 0.00 0.00 177.57 177.20 3khl h LEU 1019N 0.79 0.05 -6.02 2.57 4.07 -0.89 -3.37 115.31 112.51 3khl h LEU 1019Ca 0.15 -0.03 -0.56 0.00 0.08 0.00 0.00 57.88 57.51 3khl h LEU 1019Cb 0.47 -0.02 -0.40 0.00 1.08 0.00 0.00 40.66 41.80 3khl h LEU 1019CO 0.02 0.72 -1.01 -3.20 -1.08 0.00 0.00 178.44 173.90 3khl n ASN 1020N -3.74 1.02 0.04 -0.43 2.85 -0.37 -5.01 115.26 109.63 3khl n ASN 1020Ca -0.01 -2.89 0.08 0.00 -0.11 0.00 0.00 54.58 51.65 3khl n ASN 1020Cb 0.68 -0.64 0.34 0.00 1.24 0.00 0.00 39.78 41.40 3khl n ASN 1020CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3khl n PRO 1021N 1.17 0.05 0.05 1.20 -0.02 -0.95 -1.22 135.00 135.28 3khl n PRO 1021Ca 0.23 0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.92 3khl n PRO 1021Cb 0.51 -1.60 -0.04 0.00 -0.02 0.00 0.00 33.50 32.35 3khl n PRO 1021CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3khl h SER 1022N 0.00 -0.55 -0.83 2.55 4.64 -1.95 -3.11 113.55 114.30 3khl h SER 1022Ca 0.00 0.08 0.32 0.00 -0.47 0.00 0.00 61.79 61.72 3khl h SER 1022Cb 0.26 0.23 -0.12 0.00 -0.31 0.00 0.00 62.40 62.47 3khl h SER 1022CO 0.00 -0.25 0.49 0.18 -0.87 0.00 0.00 176.83 176.38 3khl n LEU 1023N -5.32 0.21 -4.68 5.97 4.32 -0.35 -4.57 117.00 112.58 3khl n LEU 1023Ca -0.05 1.10 -0.38 0.00 -0.02 0.00 0.00 56.01 56.67 3khl n LEU 1023Cb 0.23 -0.54 0.05 0.00 -1.62 0.00 0.00 43.42 41.54 3khl n LEU 1023CO 0.24 -1.22 0.75 1.17 -1.22 0.00 0.00 177.39 177.11 3khl n LYS 1024N -4.40 1.23 -1.07 3.23 4.81 -1.18 -1.83 118.16 118.94 3khl n LYS 1024Ca 0.28 0.46 -0.03 0.00 -0.87 0.00 0.00 58.31 58.16 3khl n LYS 1024Cb 1.01 -2.35 -0.01 0.00 0.02 0.00 0.00 35.03 33.69 3khl n LYS 1024CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3khl n GLY 1025N 1.04 0.58 3.14 3.14 0.00 -1.26 -5.04 105.19 106.78 3khl n GLY 1025Ca 0.13 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 3khl n GLY 1025CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3khl s LYS 1026N -1.46 0.74 0.10 1.61 -2.85 -0.76 -5.14 119.74 111.98 3khl s LYS 1026Ca 0.00 -1.20 -0.31 0.00 -1.00 0.00 0.00 55.97 53.46 3khl s LYS 1026Cb 0.00 0.25 -0.08 0.00 -2.06 0.00 0.00 37.83 35.94 3khl s LYS 1026CO 0.00 -0.18 1.52 -1.25 0.10 0.00 0.00 175.35 175.54 3khl s PRO 1027N -3.93 4.25 -0.10 1.78 0.04 -1.26 -4.86 135.00 130.92 3khl s PRO 1027Ca 0.10 2.22 0.03 0.00 0.04 0.00 0.00 61.00 63.39 3khl s PRO 1027Cb 0.07 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.27 3khl s PRO 1027CO -0.08 -0.59 -0.19 0.08 0.04 0.00 0.00 177.00 176.26 3khl s VAL 1028N 1.69 1.71 -0.16 -0.36 1.01 -1.26 -1.00 120.40 122.03 3khl s VAL 1028Ca 0.69 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3khl s VAL 1028Cb -0.39 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.50 3khl s VAL 1028CO 0.31 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 175.07 3khl s VAL 1029N 0.62 1.56 -0.25 2.92 1.01 -0.01 -1.50 120.40 124.75 3khl s VAL 1029Ca -0.14 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 3khl s VAL 1029Cb -0.16 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3khl s VAL 1029CO 0.04 0.37 0.41 -0.69 0.00 0.00 0.00 175.10 175.23 3khl s VAL 1030N 1.47 5.15 0.04 2.92 1.01 -0.34 -1.02 120.40 129.63 3khl s VAL 1030Ca 0.03 0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.75 3khl s VAL 1030Cb -0.14 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3khl s VAL 1030CO -0.10 0.16 -0.15 0.00 0.00 0.00 0.00 175.10 175.01 3khl s VAL 1032N -0.96 4.91 -0.02 0.00 1.01 0.55 -0.53 120.40 125.36 3khl s VAL 1032Ca 0.16 -1.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.04 3khl s VAL 1032Cb -0.11 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 3khl s VAL 1032CO 0.06 -0.87 0.94 -0.36 0.00 0.00 0.00 175.10 174.88 3khl s PHE 1033N 1.23 3.63 -0.65 5.22 0.08 -1.26 -2.11 117.98 124.12 3khl s PHE 1033Ca 0.07 1.62 0.22 0.00 0.12 0.00 0.00 56.93 58.96 3khl s PHE 1033Cb -0.25 -3.08 -0.07 0.00 -0.57 0.00 0.00 43.02 39.05 3khl s PHE 1033CO -0.00 -0.02 0.93 -1.13 -0.10 0.00 0.00 175.22 174.90 3khl n SER 1034N 4.00 0.62 0.00 1.36 3.41 -0.61 -4.98 113.62 117.42 3khl n SER 1034Ca 0.05 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 3khl n SER 1034Cb 0.51 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.47 3khl n SER 1034CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khl n GLY 1035N 1.40 0.53 0.00 5.00 0.00 -1.26 -4.67 105.19 106.18 3khl n GLY 1035Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3khl n GLY 1035CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khl n ARG 1036N -2.94 0.00 -4.56 1.61 5.12 -1.26 -4.81 116.66 109.81 3khl n ARG 1036Ca 0.00 0.11 -0.26 0.00 -1.93 0.00 0.00 57.85 55.76 3khl n ARG 1036Cb 0.00 -0.86 -0.09 0.00 -1.16 0.00 0.00 32.46 30.35 3khl n ARG 1036CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3khl s PHE 1037N -0.84 1.91 -0.09 -1.55 -0.12 -1.26 -5.01 117.98 111.03 3khl s PHE 1037Ca 0.00 -1.07 -0.34 0.00 -0.05 0.00 0.00 56.93 55.47 3khl s PHE 1037Cb 0.00 -1.34 -0.11 0.00 -0.63 0.00 0.00 43.02 40.93 3khl s PHE 1037CO 0.00 -0.04 1.91 -1.91 -0.05 0.00 0.00 175.22 175.13 3khl n GLU 1038N -0.93 2.23 -1.13 1.99 2.13 -1.26 -1.97 120.64 121.70 3khl n GLU 1038Ca -0.08 0.81 -0.05 0.00 0.66 0.00 0.00 57.16 58.51 3khl n GLU 1038Cb 0.66 -2.70 -0.02 0.00 0.27 0.00 0.00 31.44 29.65 3khl n GLU 1038CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3khl n ASP 1039N 6.96 -3.68 -4.74 4.31 8.00 -1.26 -5.01 116.55 121.14 3khl n ASP 1039Ca 0.23 0.11 -0.41 0.00 0.71 0.00 0.00 54.79 55.43 3khl n ASP 1039Cb 0.31 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.12 39.79 3khl n ASP 1039CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3khl s SER 1040N -2.79 7.29 0.00 -2.24 1.04 -0.83 -3.71 113.70 112.46 3khl s SER 1040Ca 0.00 2.10 0.00 0.00 0.48 0.00 0.00 55.95 58.53 3khl s SER 1040Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3khl s SER 1040CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3khl n GLY 1041N 1.92 0.89 3.23 7.32 0.00 -1.26 -1.57 105.19 115.71 3khl n GLY 1041Ca 0.02 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 3khl n GLY 1041CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khl s ALA 1042N -1.00 1.39 0.13 4.61 0.00 -0.90 -1.17 121.76 124.82 3khl s ALA 1042Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 3khl s ALA 1042Cb 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 3khl s ALA 1042CO 0.00 0.01 1.16 0.08 0.00 0.00 0.00 175.76 177.01 3khl s VAL 1043N -2.54 3.86 -0.11 0.00 1.01 0.57 -0.33 120.40 122.86 3khl s VAL 1043Ca 0.10 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.44 3khl s VAL 1043Cb -0.02 -3.94 -0.27 0.00 0.00 0.00 0.00 36.38 32.15 3khl s VAL 1043CO 0.02 0.19 0.47 0.00 0.00 0.00 0.00 175.10 175.78 3khl h ALA 1044N 5.82 0.28 -2.49 5.51 0.00 -0.87 0.18 119.26 127.69 3khl h ALA 1044Ca -0.43 -1.23 0.16 0.00 0.00 0.00 0.00 54.91 53.40 3khl h ALA 1044Cb 1.21 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 3khl h ALA 1044CO 0.76 1.05 0.55 -0.08 0.00 0.00 0.00 179.25 181.53 3khl s THR 1045N -2.52 0.00 -0.01 0.00 -1.32 -1.18 -4.53 115.64 106.08 3khl s THR 1045Ca -0.21 -0.62 -0.20 0.00 -1.21 0.00 0.00 61.69 59.45 3khl s THR 1045Cb 0.06 -2.64 0.04 0.00 -1.51 0.00 0.00 72.50 68.44 3khl s THR 1045CO 0.77 0.00 0.43 0.00 -2.21 0.00 0.00 174.62 173.60 3khl s ALA 1046N -2.46 -1.08 0.90 11.08 0.00 -1.26 -1.20 121.76 127.74 3khl s ALA 1046Ca 0.19 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 3khl s ALA 1046Cb -0.02 0.12 0.13 0.00 0.00 0.00 0.00 23.12 23.35 3khl s ALA 1046CO 0.05 -0.33 1.11 0.54 0.00 0.00 0.00 175.76 177.12 3khl s ASN 1047N -1.46 3.50 0.40 0.00 4.22 -0.56 -4.79 114.94 116.25 3khl s ASN 1047Ca -0.11 1.17 0.12 0.00 -2.14 0.00 0.00 52.86 51.90 3khl s ASN 1047Cb -0.03 -1.82 0.82 0.00 1.28 0.00 0.00 41.25 41.50 3khl s ASN 1047CO 0.04 -2.58 1.91 1.88 -2.04 0.00 0.00 177.10 176.31 3khl h TYR 1048N -1.51 0.11 -0.59 1.54 -1.99 -1.96 -0.47 116.97 112.11 3khl h TYR 1048Ca -0.51 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.28 3khl h TYR 1048Cb 1.31 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 39.95 3khl h TYR 1048CO 0.35 0.32 0.28 0.93 -0.00 0.00 0.00 178.16 180.04 3khl h GLU 1049N 0.10 0.50 -0.06 4.88 3.07 -1.92 -2.67 114.58 118.49 3khl h GLU 1049Ca 0.02 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 3khl h GLU 1049Cb 0.44 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3khl h GLU 1049CO 0.03 0.33 -0.64 0.00 -1.40 0.00 0.00 179.01 177.33 3khl h ALA 1050N 1.35 0.80 0.00 3.43 0.00 -1.41 -3.26 119.26 120.18 3khl h ALA 1050Ca 0.28 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3khl h ALA 1050Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3khl h ALA 1050CO -0.22 0.76 -0.66 0.00 0.00 0.00 0.00 179.25 179.13 3khl h ARG 1051N 0.16 0.00 -1.01 0.00 3.08 -1.17 -2.54 114.38 112.90 3khl h ARG 1051Ca -0.01 0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.29 3khl h ARG 1051Cb 1.16 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.13 3khl h ARG 1051CO 0.10 0.66 0.66 0.87 -1.07 0.00 0.00 179.97 181.19 3khl h LYS 1052N 0.00 0.38 -0.44 0.04 1.57 -1.52 0.05 116.57 116.65 3khl h LYS 1052Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3khl h LYS 1052Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3khl h LYS 1052CO 0.09 0.25 0.00 1.19 -0.57 0.00 0.00 179.45 180.41 3khl n PHE 1053N -4.58 0.58 -0.32 -1.35 3.72 -0.99 -4.92 117.46 109.60 3khl n PHE 1053Ca 0.24 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3khl n PHE 1053Cb 0.84 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 3khl n PHE 1053CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khl n GLY 1054N 1.35 0.76 3.55 1.37 0.00 0.00 -5.00 105.19 107.22 3khl n GLY 1054Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3khl n GLY 1054CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khl s VAL 1055N -2.27 4.46 0.15 1.61 1.01 -1.03 -4.97 120.40 119.35 3khl s VAL 1055Ca 0.00 0.57 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 3khl s VAL 1055Cb 0.00 -4.46 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3khl s VAL 1055CO 0.00 -0.92 0.13 -1.59 0.00 0.00 0.00 175.10 172.72 3khl s LYS 1056N 3.79 1.02 -0.07 2.72 -2.85 -1.26 -3.43 119.74 119.66 3khl s LYS 1056Ca 0.34 -1.39 -0.37 0.00 -1.00 0.00 0.00 55.97 53.56 3khl s LYS 1056Cb -0.11 0.28 -0.15 0.00 -2.06 0.00 0.00 37.83 35.79 3khl s LYS 1056CO 0.24 -0.32 1.63 0.00 0.10 0.00 0.00 175.35 176.99 3khl n ALA 1057N -0.15 0.01 0.00 0.59 0.00 -1.26 -2.95 120.51 116.76 3khl n ALA 1057Ca -0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3khl n ALA 1057Cb 0.64 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3khl n ALA 1057CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khl n GLY 1058N 3.63 2.26 3.78 0.00 0.00 0.05 -4.99 105.19 109.91 3khl n GLY 1058Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3khl n GLY 1058CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3khl s ILE 1059N -2.31 3.56 0.41 -0.61 -4.36 -1.15 -4.65 121.20 112.09 3khl s ILE 1059Ca 0.00 1.23 -0.25 0.00 -0.26 0.00 0.00 60.65 61.37 3khl s ILE 1059Cb 0.00 -3.66 -0.10 0.00 1.25 0.00 0.00 42.46 39.95 3khl s ILE 1059CO 0.00 0.05 1.16 -0.81 0.24 0.00 0.00 174.94 175.58 3khl n PRO 1060N 0.01 1.69 -0.35 0.37 -0.04 -1.26 -0.31 135.00 135.10 3khl n PRO 1060Ca 0.05 0.60 -0.03 0.00 -0.04 0.00 0.00 63.50 64.08 3khl n PRO 1060Cb 0.49 -2.23 0.10 0.00 -0.04 0.00 0.00 33.50 31.81 3khl n PRO 1060CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3khl h ILE 1061N 1.88 1.24 -0.23 0.52 2.04 -1.36 -2.26 117.51 119.34 3khl h ILE 1061Ca -0.46 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3khl h ILE 1061Cb 1.31 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3khl h ILE 1061CO 0.59 0.23 0.12 -0.37 0.00 0.00 0.00 178.15 178.72 3khl h VAL 1062N 1.27 1.08 -0.06 1.67 -1.51 -1.82 -0.13 116.25 116.75 3khl h VAL 1062Ca 0.34 -0.22 -0.23 0.00 -1.23 0.00 0.00 66.70 65.37 3khl h VAL 1062Cb -0.14 0.78 0.02 0.00 -2.13 0.00 0.00 31.29 29.81 3khl h VAL 1062CO -0.07 0.09 -0.85 -0.08 -1.23 0.00 0.00 177.57 175.43 3khl h GLU 1063N 0.32 0.68 -0.61 5.19 4.81 -1.83 -2.75 114.58 120.39 3khl h GLU 1063Ca 0.08 -0.65 0.03 0.00 -0.13 0.00 0.00 59.36 58.69 3khl h GLU 1063Cb 0.03 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 3khl h GLU 1063CO -0.01 1.25 0.37 0.00 -0.73 0.00 0.00 179.01 179.88 3khl h ALA 1064N 0.45 0.79 -0.14 2.92 0.00 -0.79 -2.30 119.26 120.18 3khl h ALA 1064Ca -0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3khl h ALA 1064Cb 1.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3khl h ALA 1064CO 0.17 0.10 -0.11 0.87 0.00 0.00 0.00 179.25 180.27 3khl h LYS 1065N 0.72 0.22 -0.58 0.00 1.57 -1.09 0.63 116.57 118.03 3khl h LYS 1065Ca 0.25 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3khl h LYS 1065Cb 0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3khl h LYS 1065CO -0.11 0.35 0.35 0.87 -0.57 0.00 0.00 179.45 180.33 3khl h LYS 1066N 0.21 0.80 -0.00 3.15 1.57 -1.11 -2.32 116.57 118.87 3khl h LYS 1066Ca 0.05 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3khl h LYS 1066Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3khl h LYS 1066CO 0.02 0.58 -0.08 0.82 -0.57 0.00 0.00 179.45 180.21 3khl h ILE 1067N 0.79 1.58 -2.76 1.86 2.04 -1.03 -3.41 117.51 116.58 3khl h ILE 1067Ca 0.21 -1.83 -0.61 0.00 1.00 0.00 0.00 64.86 63.63 3khl h ILE 1067Cb -0.01 2.79 -0.41 0.00 -0.74 0.00 0.00 36.82 38.46 3khl h ILE 1067CO -0.04 0.49 -0.70 0.18 0.00 0.00 0.00 178.15 178.08 3khl n LEU 1068N -4.65 2.13 0.30 1.44 4.77 0.15 -4.92 117.00 116.23 3khl n LEU 1068Ca -0.09 -5.01 0.19 0.00 -0.03 0.00 0.00 56.01 51.07 3khl n LEU 1068Cb 0.42 -0.37 0.90 0.00 -2.33 0.00 0.00 43.42 42.03 3khl n LEU 1068CO 0.36 1.83 1.07 1.55 -1.33 0.00 0.00 177.39 180.86 3khl h PRO 1069N 5.25 0.00 -0.01 3.23 0.13 -1.65 -2.77 132.00 136.18 3khl h PRO 1069Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3khl h PRO 1069Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3khl h PRO 1069CO 0.64 0.00 -0.39 0.09 -0.23 0.00 0.00 178.00 178.10 3khl n ASN 1070N -3.04 1.42 -4.58 1.44 5.03 -1.26 -4.96 115.26 109.31 3khl n ASN 1070Ca -0.01 -1.13 -0.31 0.00 0.87 0.00 0.00 54.58 54.00 3khl n ASN 1070Cb 0.20 0.32 0.17 0.00 -1.02 0.00 0.00 39.78 39.45 3khl n ASN 1070CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3khl n ALA 1071N -0.46 -1.59 -2.60 5.41 0.00 -1.05 -4.96 120.51 115.26 3khl n ALA 1071Ca 0.10 -0.68 -0.41 0.00 0.00 0.00 0.00 53.44 52.46 3khl n ALA 1071Cb 0.40 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 3khl n ALA 1071CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3khl s VAL 1072N -2.54 4.90 -0.28 0.00 1.01 -0.17 -5.00 120.40 118.31 3khl s VAL 1072Ca 0.65 0.94 -0.09 0.00 0.00 0.00 0.00 61.98 63.47 3khl s VAL 1072Cb -0.22 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 3khl s VAL 1072CO 0.61 -0.18 0.13 -0.31 0.00 0.00 0.00 175.10 175.35 3khl s TYR 1073N 2.70 3.15 -0.02 5.22 2.02 -1.26 -0.83 117.35 128.33 3khl s TYR 1073Ca 0.27 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.67 3khl s TYR 1073Cb -0.15 -2.31 -0.01 0.00 -0.40 0.00 0.00 41.96 39.09 3khl s TYR 1073CO 0.12 -0.35 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.03 3khl s LEU 1074N 1.65 2.03 0.36 -1.29 1.43 -0.19 -4.99 118.68 117.67 3khl s LEU 1074Ca 0.06 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.51 3khl s LEU 1074Cb -0.16 -1.10 -0.09 0.00 0.03 0.00 0.00 46.19 44.87 3khl s LEU 1074CO 0.06 0.25 1.15 -2.16 0.23 0.00 0.00 176.35 175.87 3khl s PRO 1075N -0.41 4.26 0.15 1.29 0.04 -1.26 0.07 135.00 139.15 3khl s PRO 1075Ca 0.06 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 3khl s PRO 1075Cb -0.09 -2.83 -0.10 0.00 0.04 0.00 0.00 34.50 31.52 3khl s PRO 1075CO -0.00 -0.13 1.55 1.41 0.04 0.00 0.00 177.00 179.86 3khl s MET 1076N -2.05 4.23 -0.78 4.56 1.75 0.31 -4.73 119.30 122.59 3khl s MET 1076Ca 0.53 2.32 0.02 0.00 -1.25 0.00 0.00 55.69 57.32 3khl s MET 1076Cb -0.31 -3.18 0.20 0.00 2.84 0.00 0.00 34.83 34.38 3khl s MET 1076CO 0.39 -0.59 0.66 0.54 -0.65 0.00 0.00 175.02 175.37 3khl n ARG 1077N 4.03 2.30 -0.31 4.11 1.74 -1.26 -4.97 116.66 122.30 3khl n ARG 1077Ca 0.14 -4.52 -0.03 0.00 -0.77 0.00 0.00 57.85 52.67 3khl n ARG 1077Cb 0.39 -2.34 0.12 0.00 -1.02 0.00 0.00 32.46 29.61 3khl n ARG 1077CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3khl h LYS 1078N 5.44 1.20 -0.82 5.56 1.63 -2.00 -2.44 116.57 125.14 3khl h LYS 1078Ca 0.16 -0.14 0.11 0.00 -0.85 0.00 0.00 60.65 59.94 3khl h LYS 1078Cb 0.76 -0.23 -0.08 0.00 -0.60 0.00 0.00 32.23 32.07 3khl h LYS 1078CO 0.80 0.88 0.44 0.93 -3.45 0.00 0.00 179.45 179.05 3khl h GLU 1079N 1.20 0.68 -0.22 1.90 3.07 -1.98 0.17 114.58 119.39 3khl h GLU 1079Ca 0.30 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.10 3khl h GLU 1079Cb 0.03 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 3khl h GLU 1079CO -0.05 0.45 0.05 0.28 -1.40 0.00 0.00 179.01 178.34 3khl h VAL 1080N 0.70 1.21 -0.11 3.13 2.07 -1.88 -1.68 116.25 119.69 3khl h VAL 1080Ca 0.42 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3khl h VAL 1080Cb 0.48 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3khl h VAL 1080CO -0.30 0.22 -0.33 1.88 0.02 0.00 0.00 177.57 179.06 3khl h TYR 1081N 0.17 0.23 -0.40 1.57 0.05 -1.12 -2.47 116.97 115.00 3khl h TYR 1081Ca 0.07 -0.05 -0.14 0.00 0.05 0.00 0.00 58.73 58.66 3khl h TYR 1081Cb 0.29 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 3khl h TYR 1081CO 0.01 0.52 -0.29 0.37 -1.05 0.00 0.00 178.16 177.72 3khl h GLN 1082N 0.18 0.88 -0.01 4.88 5.75 -0.58 0.77 115.11 126.97 3khl h GLN 1082Ca 0.02 -0.40 -0.00 0.00 -0.15 0.00 0.00 58.65 58.12 3khl h GLN 1082Cb 0.68 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 3khl h GLN 1082CO 0.05 1.05 0.01 1.96 -2.65 0.00 0.00 178.83 179.25 3khl h GLN 1083N 0.74 0.02 -0.36 1.69 4.20 -1.06 -0.10 115.11 120.23 3khl h GLN 1083Ca 0.08 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.82 3khl h GLN 1083Cb 0.85 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 3khl h GLN 1083CO 0.07 0.07 0.17 0.28 -0.67 0.00 0.00 178.83 178.76 3khl h VAL 1084N -0.03 0.97 -0.26 -0.54 2.07 -1.32 -2.23 116.25 114.91 3khl h VAL 1084Ca 0.00 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.44 3khl h VAL 1084Cb 0.05 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3khl h VAL 1084CO -0.00 0.07 0.05 -1.28 0.02 0.00 0.00 177.57 176.42 3khl h SER 1085N 0.36 0.01 -0.92 0.57 0.87 -0.69 -1.16 113.55 112.59 3khl h SER 1085Ca 0.15 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3khl h SER 1085Cb 0.07 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 3khl h SER 1085CO -0.11 0.04 0.56 0.28 -0.53 0.00 0.00 176.83 177.06 3khl h SER 1086N 0.15 1.10 -0.22 6.23 0.02 -0.83 0.43 113.55 120.42 3khl h SER 1086Ca 0.12 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3khl h SER 1086Cb 0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3khl h SER 1086CO -0.16 0.84 0.12 0.03 -1.14 0.00 0.00 176.83 176.52 3khl h ARG 1087N 1.26 0.31 -0.38 3.45 3.08 -1.10 -2.34 114.38 118.67 3khl h ARG 1087Ca 0.33 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 3khl h ARG 1087Cb -0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3khl h ARG 1087CO -0.06 0.30 0.22 0.82 -1.07 0.00 0.00 179.97 180.17 3khl h ILE 1088N 0.24 1.13 -0.93 2.04 2.04 -0.55 -2.45 117.51 119.03 3khl h ILE 1088Ca 0.08 -0.33 0.15 0.00 1.00 0.00 0.00 64.86 65.76 3khl h ILE 1088Cb 0.08 0.67 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 3khl h ILE 1088CO -0.01 0.14 0.59 0.24 0.00 0.00 0.00 178.15 179.11 3khl h MET 1089N 0.49 0.73 -0.10 2.37 2.86 -0.89 -0.75 114.93 119.63 3khl h MET 1089Ca 0.13 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 3khl h MET 1089Cb 0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 3khl h MET 1089CO -0.02 0.48 -0.36 -0.91 1.06 0.00 0.00 176.91 177.16 3khl h ASN 1090N 0.75 0.21 -0.43 1.22 2.35 -0.97 -2.30 115.58 116.39 3khl h ASN 1090Ca 0.48 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 56.08 3khl h ASN 1090Cb 0.73 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 3khl h ASN 1090CO -0.24 0.56 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.00 3khl h LEU 1091N 0.18 0.77 -1.66 1.61 3.38 -0.75 -3.03 115.31 115.80 3khl h LEU 1091Ca 0.02 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3khl h LEU 1091Cb 0.72 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3khl h LEU 1091CO 0.05 0.90 0.25 -0.07 0.09 0.00 0.00 178.44 179.67 3khl h LEU 1092N 0.62 0.39 -2.49 1.67 3.38 -0.92 -1.02 115.31 116.93 3khl h LEU 1092Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3khl h LEU 1092Cb 0.52 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3khl h LEU 1092CO 0.03 0.27 -0.02 0.03 0.09 0.00 0.00 178.44 178.84 3khl h ARG 1093N 0.45 0.00 -0.06 1.13 3.08 -1.30 -1.18 114.38 116.51 3khl h ARG 1093Ca 0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3khl h ARG 1093Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3khl h ARG 1093CO -0.03 0.02 0.00 0.93 -1.07 0.00 0.00 179.97 179.82 3khl h GLU 1094N 0.00 0.08 0.00 0.04 4.39 -1.26 -3.17 114.58 114.67 3khl h GLU 1094Ca -0.00 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3khl h GLU 1094Cb 0.08 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3khl h GLU 1094CO 0.00 0.09 -1.64 0.66 -1.16 0.00 0.00 179.01 176.96 3khl n TYR 1095N -4.49 0.45 -3.64 4.33 4.01 -0.45 -4.92 117.16 112.45 3khl n TYR 1095Ca -0.02 0.14 -0.09 0.00 -0.16 0.00 0.00 57.90 57.77 3khl n TYR 1095Cb 0.12 -0.78 -0.07 0.00 -0.31 0.00 0.00 39.34 38.29 3khl n TYR 1095CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3khl s SER 1096N -5.07 -0.59 0.00 7.72 0.15 -1.18 -4.98 113.70 109.75 3khl s SER 1096Ca -0.05 1.07 0.19 0.00 0.70 0.00 0.00 55.95 57.86 3khl s SER 1096Cb 0.11 1.14 0.63 0.00 -1.71 0.00 0.00 66.02 66.20 3khl s SER 1096CO 0.85 -0.18 1.47 -0.62 1.20 0.00 0.00 173.24 175.97 3khl n GLU 1097N 2.91 1.79 -3.41 5.44 4.71 -1.26 -4.39 120.64 126.43 3khl n GLU 1097Ca -0.15 -1.19 -0.44 0.00 -0.01 0.00 0.00 57.16 55.36 3khl n GLU 1097Cb 0.56 -1.37 -0.03 0.00 -1.01 0.00 0.00 31.44 29.59 3khl n GLU 1097CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3khl s LYS 1098N -1.71 3.55 -0.03 3.49 1.02 -1.26 -5.04 119.74 119.77 3khl s LYS 1098Ca 0.31 -2.69 0.04 0.00 0.02 0.00 0.00 55.97 53.65 3khl s LYS 1098Cb 0.16 -4.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.15 3khl s LYS 1098CO 0.24 -1.26 -0.15 -1.50 -0.92 0.00 0.00 175.35 171.75 3khl s ILE 1099N -0.28 1.27 -0.31 2.17 2.07 -1.26 -1.47 121.20 123.39 3khl s ILE 1099Ca 0.21 -0.65 0.03 0.00 -1.41 0.00 0.00 60.65 58.83 3khl s ILE 1099Cb -0.11 -1.08 0.09 0.00 0.13 0.00 0.00 42.46 41.49 3khl s ILE 1099CO -0.08 0.36 0.00 -0.70 -1.91 0.00 0.00 174.94 172.62 3khl s GLU 1100N -0.12 1.62 -0.16 3.50 2.12 0.84 -4.07 118.70 122.43 3khl s GLU 1100Ca 0.01 -1.59 -0.29 0.00 0.36 0.00 0.00 54.97 53.45 3khl s GLU 1100Cb -0.09 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 3khl s GLU 1100CO 0.01 -0.82 1.33 0.42 -0.54 0.00 0.00 175.26 175.66 3khl s ILE 1101N 1.06 4.16 -0.06 -3.70 1.01 -1.26 -0.57 121.20 121.84 3khl s ILE 1101Ca 0.04 1.39 0.20 0.00 0.00 0.00 0.00 60.65 62.29 3khl s ILE 1101Cb -0.19 -3.93 -0.31 0.00 0.01 0.00 0.00 42.46 38.03 3khl s ILE 1101CO -0.09 -0.16 0.39 0.00 0.00 0.00 0.00 174.94 175.08 3khl n ALA 1102N 6.83 2.56 -3.46 9.38 0.00 0.02 -4.63 120.51 131.20 3khl n ALA 1102Ca 0.15 -0.64 0.03 0.00 0.00 0.00 0.00 53.44 52.98 3khl n ALA 1102Cb 0.45 -0.62 0.01 0.00 0.00 0.00 0.00 19.45 19.29 3khl n ALA 1102CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3khl n SER 1103N -2.32 -0.97 0.16 0.00 3.41 -1.17 -4.95 113.62 107.78 3khl n SER 1103Ca -0.09 -1.55 0.18 0.00 -0.26 0.00 0.00 58.87 57.15 3khl n SER 1103Cb 0.65 1.59 0.79 0.00 -0.26 0.00 0.00 64.21 66.98 3khl n SER 1103CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3khl h ILE 1104N 1.52 0.50 0.00 -1.33 2.10 -2.01 -3.18 117.51 115.11 3khl h ILE 1104Ca -0.15 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.77 3khl h ILE 1104Cb 0.64 0.79 -0.05 0.00 -1.09 0.00 0.00 36.82 37.11 3khl h ILE 1104CO 0.20 0.00 -0.41 -0.90 -1.08 0.00 0.00 178.15 175.96 3khl n ASP 1105N -3.87 1.08 -3.86 2.19 5.75 -1.26 -4.78 116.55 111.80 3khl n ASP 1105Ca 0.04 -2.55 -0.12 0.00 -0.01 0.00 0.00 54.79 52.15 3khl n ASP 1105Cb 0.41 -0.32 -0.12 0.00 -1.03 0.00 0.00 41.12 40.06 3khl n ASP 1105CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3khl s GLU 1106N -1.28 0.25 -0.02 0.11 2.02 -1.20 -1.48 118.70 117.10 3khl s GLU 1106Ca 0.19 -0.06 -0.07 0.00 0.02 0.00 0.00 54.97 55.05 3khl s GLU 1106Cb 0.18 0.11 0.01 0.00 0.10 0.00 0.00 34.13 34.53 3khl s GLU 1106CO -0.02 -0.05 0.15 0.00 0.02 0.00 0.00 175.26 175.37 3khl s ALA 1107N -0.48 -0.37 -0.13 5.21 0.00 -0.58 -0.80 121.76 124.60 3khl s ALA 1107Ca -0.06 0.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 3khl s ALA 1107Cb -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3khl s ALA 1107CO 0.00 -0.16 0.02 0.71 0.00 0.00 0.00 175.76 176.34 3khl s TYR 1108N -0.79 3.19 -0.14 0.00 2.02 0.26 -0.97 117.35 120.93 3khl s TYR 1108Ca -0.09 0.07 -0.00 0.00 -0.37 0.00 0.00 57.07 56.68 3khl s TYR 1108Cb -0.05 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 3khl s TYR 1108CO 0.01 0.27 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.62 3khl s LEU 1109N -0.21 2.68 -0.44 -1.29 1.02 0.60 -0.11 118.68 120.92 3khl s LEU 1109Ca 0.06 -0.35 -0.25 0.00 0.02 0.00 0.00 54.13 53.60 3khl s LEU 1109Cb -0.12 -1.61 0.02 0.00 0.02 0.00 0.00 46.19 44.51 3khl s LEU 1109CO 0.02 0.15 0.91 -0.62 0.02 0.00 0.00 176.35 176.83 3khl s ASP 1110N 0.46 6.53 -0.15 2.29 -1.08 -0.54 -1.03 116.67 123.15 3khl s ASP 1110Ca -0.10 0.20 0.16 0.00 -0.52 0.00 0.00 52.55 52.29 3khl s ASP 1110Cb -0.16 -2.45 0.47 0.00 -1.46 0.00 0.00 42.92 39.33 3khl s ASP 1110CO 0.05 -0.99 1.37 2.30 0.52 0.00 0.00 175.17 178.41 3khl n ILE 1111N 6.30 2.06 -0.34 4.11 -5.35 -0.70 -4.64 119.36 120.80 3khl n ILE 1111Ca 0.06 -1.77 0.13 0.00 -0.27 0.00 0.00 62.75 60.90 3khl n ILE 1111Cb 0.48 -0.13 0.32 0.00 -1.74 0.00 0.00 39.64 38.57 3khl n ILE 1111CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3khl h SER 1112N 1.68 0.71 -0.49 7.28 0.02 -1.84 -1.02 113.55 119.89 3khl h SER 1112Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3khl h SER 1112Cb 1.30 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3khl h SER 1112CO 0.17 0.22 0.00 0.47 -1.14 0.00 0.00 176.83 176.55 3khl n ASP 1113N -4.82 3.62 -0.05 3.07 8.00 -1.26 -4.22 116.55 120.89 3khl n ASP 1113Ca 0.23 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.74 3khl n ASP 1113Cb 0.60 -0.32 -0.16 0.00 -0.02 0.00 0.00 41.12 41.22 3khl n ASP 1113CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3khl n LYS 1114N 1.55 0.76 -3.99 -1.24 4.76 -0.43 -5.03 118.16 114.54 3khl n LYS 1114Ca 0.21 -0.09 -0.08 0.00 -2.87 0.00 0.00 58.31 55.47 3khl n LYS 1114Cb 0.61 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 32.22 3khl n LYS 1114CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3khl s VAL 1115N -2.92 0.18 -0.09 -0.18 -7.23 -0.97 -5.08 120.40 104.10 3khl s VAL 1115Ca -0.09 -1.48 0.21 0.00 -1.81 0.00 0.00 61.98 58.82 3khl s VAL 1115Cb 0.09 -1.33 -0.28 0.00 0.56 0.00 0.00 36.38 35.42 3khl s VAL 1115CO 0.82 -0.82 0.44 0.54 -0.31 0.00 0.00 175.10 175.77 3khl n ARG 1116N 0.20 0.66 -3.82 4.82 1.74 -1.26 -4.75 116.66 114.25 3khl n ARG 1116Ca -0.15 -0.11 -0.07 0.00 -0.77 0.00 0.00 57.85 56.74 3khl n ARG 1116Cb 0.61 -1.56 0.02 0.00 -1.02 0.00 0.00 32.46 30.51 3khl n ARG 1116CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3khl s ASP 1117N -4.88 -0.02 0.29 0.55 3.84 -1.26 -5.07 116.67 110.12 3khl s ASP 1117Ca -0.08 -1.00 0.09 0.00 -0.00 0.00 0.00 52.55 51.56 3khl s ASP 1117Cb 0.12 0.77 0.44 0.00 -1.38 0.00 0.00 42.92 42.87 3khl s ASP 1117CO 0.88 -1.52 1.67 1.88 -0.00 0.00 0.00 175.17 178.08 3khl h TYR 1118N 2.00 0.13 -0.19 2.11 0.05 -1.98 -2.02 116.97 117.06 3khl h TYR 1118Ca -0.30 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.45 3khl h TYR 1118Cb 1.24 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.95 3khl h TYR 1118CO 1.26 0.59 0.11 0.00 -1.05 0.00 0.00 178.16 179.07 3khl h ARG 1119N 0.08 0.21 -0.20 4.88 3.08 -1.99 0.22 114.38 120.67 3khl h ARG 1119Ca 0.00 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3khl h ARG 1119Cb 0.93 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3khl h ARG 1119CO 0.07 0.14 -0.25 0.93 -1.07 0.00 0.00 179.97 179.79 3khl h GLU 1120N 0.22 0.37 -0.49 0.04 5.08 -1.96 -2.60 114.58 115.24 3khl h GLU 1120Ca 0.07 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3khl h GLU 1120Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3khl h GLU 1120CO -0.04 0.60 0.24 0.00 -1.00 0.00 0.00 179.01 178.81 3khl h ALA 1121N 1.41 0.63 -0.25 3.43 0.00 -0.66 -1.61 119.26 122.20 3khl h ALA 1121Ca 0.05 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3khl h ALA 1121Cb 0.62 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3khl h ALA 1121CO 0.04 0.19 0.05 -0.92 0.00 0.00 0.00 179.25 178.61 3khl h TYR 1122N 0.64 0.08 -0.90 0.00 3.20 -0.38 -0.68 116.97 118.94 3khl h TYR 1122Ca 0.17 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.10 3khl h TYR 1122Cb 0.11 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 3khl h TYR 1122CO -0.01 0.02 0.59 -0.97 -1.64 0.00 0.00 178.16 176.15 3khl h ASN 1123N 0.14 0.94 -0.34 -2.11 -1.24 -1.21 -1.43 115.58 110.34 3khl h ASN 1123Ca 0.12 -0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.00 3khl h ASN 1123Cb 0.12 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 3khl h ASN 1123CO -0.15 0.63 -0.24 0.25 -1.29 0.00 0.00 177.43 176.63 3khl h LEU 1124N 1.08 0.85 -0.79 0.34 5.85 -0.79 -1.27 115.31 120.58 3khl h LEU 1124Ca 0.37 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3khl h LEU 1124Cb 0.09 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3khl h LEU 1124CO -0.12 1.05 0.51 1.23 -0.34 0.00 0.00 178.44 180.77 3khl h GLY 1125N 0.94 1.13 0.82 3.75 0.00 -0.23 -1.05 103.07 108.44 3khl h GLY 1125Ca 0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 3khl h GLY 1125CO 0.06 0.36 -0.01 1.41 0.00 0.00 0.00 176.54 178.36 3khl h LEU 1126N 1.02 0.37 -0.88 3.11 3.38 -1.12 -0.70 115.31 120.49 3khl h LEU 1126Ca 0.31 -0.32 0.13 0.00 0.09 0.00 0.00 57.88 58.08 3khl h LEU 1126Cb -0.05 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.52 3khl h LEU 1126CO -0.09 0.60 0.49 -0.08 0.09 0.00 0.00 178.44 179.45 3khl h GLU 1127N 0.12 0.73 0.02 1.13 4.81 -1.02 0.18 114.58 120.55 3khl h GLU 1127Ca 0.06 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3khl h GLU 1127Cb 0.42 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3khl h GLU 1127CO 0.01 0.48 -0.01 0.82 -0.73 0.00 0.00 179.01 179.58 3khl h ILE 1128N 0.75 1.31 -0.46 2.32 2.04 -1.01 -1.45 117.51 121.01 3khl h ILE 1128Ca 0.45 -1.06 0.09 0.00 1.00 0.00 0.00 64.86 65.34 3khl h ILE 1128Cb 0.55 2.02 -0.08 0.00 -0.74 0.00 0.00 36.82 38.57 3khl h ILE 1128CO -0.31 0.27 -0.01 0.11 0.00 0.00 0.00 178.15 178.21 3khl h LYS 1129N -0.49 0.10 -0.61 2.37 1.57 -0.74 -2.08 116.57 116.69 3khl h LYS 1129Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3khl h LYS 1129Cb 0.47 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 3khl h LYS 1129CO 0.01 0.07 0.37 -0.91 -0.57 0.00 0.00 179.45 178.41 3khl h ASN 1130N 0.10 0.73 -0.33 0.86 2.35 -0.59 -1.83 115.58 116.88 3khl h ASN 1130Ca 0.23 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 3khl h ASN 1130Cb 0.34 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3khl h ASN 1130CO -0.39 0.58 0.08 0.50 -1.65 0.00 0.00 177.43 176.55 3khl h LYS 1131N 0.82 0.53 -0.62 0.81 1.63 -1.00 -0.16 116.57 118.59 3khl h LYS 1131Ca 0.22 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3khl h LYS 1131Cb -0.02 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 3khl h LYS 1131CO -0.04 0.59 0.33 0.82 -3.45 0.00 0.00 179.45 177.69 3khl h ILE 1132N 0.38 1.21 -0.64 2.00 2.04 -1.32 0.88 117.51 122.06 3khl h ILE 1132Ca 0.10 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3khl h ILE 1132Cb 0.29 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3khl h ILE 1132CO 0.00 0.23 0.41 0.25 0.00 0.00 0.00 178.15 179.04 3khl h LEU 1133N 0.85 0.74 -0.25 1.44 5.85 -1.18 0.34 115.31 123.11 3khl h LEU 1133Ca 0.22 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3khl h LEU 1133Cb 0.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3khl h LEU 1133CO -0.03 0.55 0.05 -0.33 -0.34 0.00 0.00 178.44 178.33 3khl h GLU 1134N 0.87 0.41 0.20 1.25 5.08 -0.35 -1.13 114.58 120.90 3khl h GLU 1134Ca 0.23 -0.11 -0.33 0.00 -1.00 0.00 0.00 59.36 58.16 3khl h GLU 1134Cb -0.08 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.14 3khl h GLU 1134CO -0.05 0.53 -1.50 0.87 -1.00 0.00 0.00 179.01 177.86 3khl h LYS 1135N 0.22 0.43 0.00 2.33 1.79 -0.74 -3.40 116.57 117.20 3khl h LYS 1135Ca 0.08 -0.74 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 3khl h LYS 1135Cb 0.31 0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 3khl h LYS 1135CO 0.00 1.34 0.00 0.39 -1.08 0.00 0.00 179.45 180.11 3khl n GLU 1136N -3.63 5.64 -2.14 3.15 -0.58 0.12 -5.00 120.64 118.20 3khl n GLU 1136Ca -0.17 -0.04 -0.16 0.00 -0.42 0.00 0.00 57.16 56.38 3khl n GLU 1136Cb 1.08 -0.48 -0.02 0.00 -0.57 0.00 0.00 31.44 31.45 3khl n GLU 1136CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3khl n LYS 1137N -0.82 -1.21 -4.47 3.49 4.76 -0.43 -4.98 118.16 114.51 3khl n LYS 1137Ca 0.00 0.81 -0.33 0.00 -2.87 0.00 0.00 58.31 55.92 3khl n LYS 1137Cb 0.00 -5.14 -0.15 0.00 -1.84 0.00 0.00 35.03 27.91 3khl n LYS 1137CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3khl s ILE 1138N -2.74 2.99 0.28 -0.18 -1.09 -1.25 -4.94 121.20 114.28 3khl s ILE 1138Ca 0.00 -0.66 -0.25 0.00 -2.23 0.00 0.00 60.65 57.51 3khl s ILE 1138Cb 0.00 -2.29 -0.09 0.00 -1.58 0.00 0.00 42.46 38.50 3khl s ILE 1138CO 0.00 0.50 0.88 0.42 -1.23 0.00 0.00 174.94 175.51 3khl s THR 1139N 0.78 4.30 0.14 2.92 -4.23 -1.26 -3.65 115.64 114.64 3khl s THR 1139Ca -0.05 1.71 0.02 0.00 -1.18 0.00 0.00 61.69 62.20 3khl s THR 1139Cb -0.15 -4.01 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 3khl s THR 1139CO 0.01 0.22 -0.05 0.68 -0.54 0.00 0.00 174.62 174.95 3khl s VAL 1140N -1.51 0.80 -0.09 2.29 -7.23 -1.26 -1.94 120.40 111.45 3khl s VAL 1140Ca 0.46 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 3khl s VAL 1140Cb -0.19 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3khl s VAL 1140CO 0.24 -0.68 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.36 3khl s THR 1141N -3.57 3.42 -0.13 5.32 2.01 0.12 -3.69 115.64 119.13 3khl s THR 1141Ca 0.18 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.62 3khl s THR 1141Cb 0.05 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 3khl s THR 1141CO 0.00 0.57 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.66 3khl s VAL 1142N -0.41 2.89 -0.07 3.82 1.01 -0.78 -1.35 120.40 125.50 3khl s VAL 1142Ca 0.05 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3khl s VAL 1142Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3khl s VAL 1142CO 0.02 0.53 -0.13 -0.83 0.00 0.00 0.00 175.10 174.69 3khl s GLY 1143N 0.37 1.56 -0.05 4.51 0.00 0.10 -1.67 107.32 112.14 3khl s GLY 1143Ca -0.12 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.66 3khl s GLY 1143CO 0.06 -0.62 -0.05 -0.42 0.00 0.00 0.00 173.10 172.07 3khl s ILE 1144N -0.50 0.59 0.00 0.90 1.01 0.68 0.06 121.20 123.93 3khl s ILE 1144Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.59 3khl s ILE 1144Cb -0.12 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.72 3khl s ILE 1144CO 0.02 0.25 0.00 -0.24 0.00 0.00 0.00 174.94 174.97 3khl n SER 1145N 4.24 0.00 0.10 3.58 2.88 -0.87 -0.19 113.62 123.35 3khl n SER 1145Ca -0.21 -0.13 0.12 0.00 -1.33 0.00 0.00 58.87 57.32 3khl n SER 1145Cb 0.51 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.10 3khl n SER 1145CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3khl h LYS 1146N 0.00 0.00 -3.87 -1.46 2.10 -1.78 0.47 116.57 112.03 3khl h LYS 1146Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 3khl h LYS 1146Cb 0.00 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.25 3khl h LYS 1146CO 0.00 0.00 -0.14 0.54 -2.00 0.00 0.00 179.45 177.85 3khl s ASN 1147N -4.82 0.43 0.19 7.07 2.20 -1.26 -4.45 114.94 114.30 3khl s ASN 1147Ca 0.05 -1.25 -0.08 0.00 -0.94 0.00 0.00 52.86 50.63 3khl s ASN 1147Cb 0.11 0.64 0.10 0.00 -2.00 0.00 0.00 41.25 40.10 3khl s ASN 1147CO 0.73 -1.26 1.65 0.11 -2.94 0.00 0.00 177.10 175.39 3khl h LYS 1148N 2.18 1.05 -0.19 3.55 1.57 -1.90 -2.12 116.57 120.70 3khl h LYS 1148Ca -0.28 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.13 3khl h LYS 1148Cb 1.25 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3khl h LYS 1148CO 0.38 1.03 -0.01 0.28 -0.57 0.00 0.00 179.45 180.57 3khl h VAL 1149N 0.96 1.26 0.00 0.50 2.07 -1.97 -1.78 116.25 117.29 3khl h VAL 1149Ca 0.17 -0.89 -0.15 0.00 0.82 0.00 0.00 66.70 66.65 3khl h VAL 1149Cb 0.56 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3khl h VAL 1149CO 0.03 0.27 -0.70 -0.26 0.02 0.00 0.00 177.57 176.93 3khl h PHE 1150N 0.09 0.00 -0.61 1.57 0.04 -1.96 -0.59 116.94 115.48 3khl h PHE 1150Ca 0.05 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 3khl h PHE 1150Cb 0.41 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 3khl h PHE 1150CO 0.04 0.70 0.36 0.00 -0.60 0.00 0.00 178.31 178.81 3khl h ALA 1151N 1.30 0.77 -0.37 2.45 0.00 -1.36 0.64 119.26 122.69 3khl h ALA 1151Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3khl h ALA 1151Cb 1.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3khl h ALA 1151CO 0.09 0.26 0.12 -0.22 0.00 0.00 0.00 179.25 179.51 3khl h LYS 1152N 0.82 0.58 -0.67 0.00 3.64 -0.88 -2.25 116.57 117.80 3khl h LYS 1152Ca 0.22 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3khl h LYS 1152Cb -0.01 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 3khl h LYS 1152CO -0.04 0.58 0.42 0.82 -2.27 0.00 0.00 179.45 178.96 3khl h ILE 1153N 0.46 1.09 -0.63 2.00 2.04 -1.00 -1.58 117.51 119.89 3khl h ILE 1153Ca 0.12 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.79 3khl h ILE 1153Cb 0.24 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 3khl h ILE 1153CO -0.01 0.15 0.28 0.00 0.00 0.00 0.00 178.15 178.57 3khl h ALA 1154N 1.29 0.84 -0.21 1.87 0.00 -0.70 -1.58 119.26 120.76 3khl h ALA 1154Ca 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3khl h ALA 1154Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3khl h ALA 1154CO -0.10 -0.13 0.11 0.00 0.00 0.00 0.00 179.25 179.13 3khl h ALA 1155N 1.40 0.26 -0.94 0.00 0.00 -0.89 -2.22 119.26 116.88 3khl h ALA 1155Ca 0.31 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.35 3khl h ALA 1155Cb 0.34 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3khl h ALA 1155CO -0.27 -0.19 0.61 -0.44 0.00 0.00 0.00 179.25 178.95 3khl h ASP 1156N 0.22 0.50 0.80 0.00 3.32 -0.82 -0.28 116.42 120.15 3khl h ASP 1156Ca 0.07 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 3khl h ASP 1156Cb 0.08 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3khl h ASP 1156CO -0.01 0.19 -0.70 0.24 -1.72 0.00 0.00 179.24 177.24 3khl h MET 1157N 0.49 0.00 -0.01 3.56 2.86 -0.84 -3.30 114.93 117.69 3khl h MET 1157Ca 0.50 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.14 3khl h MET 1157Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3khl h MET 1157CO -0.22 0.70 -0.72 0.00 1.06 0.00 0.00 176.91 177.73 3khl n ALA 1158N -2.38 4.11 -1.77 6.32 0.00 -0.37 -5.00 120.51 121.42 3khl n ALA 1158Ca -0.01 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.44 3khl n ALA 1158Cb 0.71 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 3khl n ALA 1158CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3khl s LYS 1159N -2.69 4.31 0.43 0.00 -2.85 -0.26 -3.16 119.74 115.51 3khl s LYS 1159Ca 0.13 1.73 0.02 0.00 -1.00 0.00 0.00 55.97 56.85 3khl s LYS 1159Cb 0.17 -2.82 -0.00 0.00 -2.06 0.00 0.00 37.83 33.11 3khl s LYS 1159CO 0.70 -0.07 0.63 -1.25 0.10 0.00 0.00 175.35 175.46 3khl s PRO 1160N -2.05 3.02 -1.50 1.78 0.04 -1.26 -4.95 135.00 130.08 3khl s PRO 1160Ca 0.53 -0.66 -0.07 0.00 0.04 0.00 0.00 61.00 60.83 3khl s PRO 1160Cb -0.28 -2.62 0.06 0.00 0.04 0.00 0.00 34.50 31.69 3khl s PRO 1160CO 0.36 -0.23 0.64 -1.71 0.04 0.00 0.00 177.00 176.10 3khl n ASN 1161N -1.99 -1.93 -4.80 6.66 5.15 -1.26 -4.96 115.26 112.14 3khl n ASN 1161Ca 0.02 -0.95 -0.34 0.00 -0.60 0.00 0.00 54.58 52.71 3khl n ASN 1161Cb 0.58 -3.20 -0.07 0.00 -0.53 0.00 0.00 39.78 36.56 3khl n ASN 1161CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3khl s GLY 1162N -3.91 3.08 -0.21 8.20 0.00 -1.19 -4.97 107.32 108.33 3khl s GLY 1162Ca 0.31 -0.09 -0.16 0.00 0.00 0.00 0.00 44.72 44.78 3khl s GLY 1162CO 0.88 -2.20 0.53 -1.50 0.00 0.00 0.00 173.10 170.81 3khl s ILE 1163N -2.90 -0.01 -0.18 0.90 2.07 -1.26 -1.87 121.20 117.95 3khl s ILE 1163Ca 0.02 0.02 -0.10 0.00 -1.41 0.00 0.00 60.65 59.18 3khl s ILE 1163Cb -0.00 -0.76 0.06 0.00 0.13 0.00 0.00 42.46 41.89 3khl s ILE 1163CO 0.01 0.01 0.44 -0.75 -1.91 0.00 0.00 174.94 172.74 3khl s LYS 1164N 0.72 0.42 -0.20 3.50 2.47 -0.67 -4.97 119.74 121.02 3khl s LYS 1164Ca -0.04 0.83 -0.09 0.00 -1.56 0.00 0.00 55.97 55.11 3khl s LYS 1164Cb -0.05 -0.01 -0.05 0.00 -1.46 0.00 0.00 37.83 36.27 3khl s LYS 1164CO -0.05 -0.16 0.11 0.08 0.16 0.00 0.00 175.35 175.49 3khl s VAL 1165N 1.43 5.15 -0.44 4.02 1.01 -1.26 -0.23 120.40 130.08 3khl s VAL 1165Ca -0.10 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 3khl s VAL 1165Cb -0.08 -3.34 0.06 0.00 0.00 0.00 0.00 36.38 33.01 3khl s VAL 1165CO -0.13 0.44 0.33 -0.63 0.00 0.00 0.00 175.10 175.10 3khl s ILE 1166N 0.46 4.98 1.05 2.22 1.01 0.73 -4.96 121.20 126.69 3khl s ILE 1166Ca 0.06 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 3khl s ILE 1166Cb -0.12 -3.92 0.25 0.00 0.01 0.00 0.00 42.46 38.67 3khl s ILE 1166CO -0.00 -0.47 1.31 1.51 0.00 0.00 0.00 174.94 177.28 3khl s ASP 1167N 2.20 2.31 0.28 3.58 1.47 -1.26 -4.44 116.67 120.81 3khl s ASP 1167Ca 0.04 0.22 -0.02 0.00 1.18 0.00 0.00 52.55 53.97 3khl s ASP 1167Cb -0.22 -0.19 0.40 0.00 -0.34 0.00 0.00 42.92 42.56 3khl s ASP 1167CO 0.07 -3.23 1.86 0.44 0.68 0.00 0.00 175.17 174.99 3khl h ASP 1168N -1.98 0.83 -0.36 2.11 3.32 -1.99 -0.99 116.42 117.35 3khl h ASP 1168Ca -0.44 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.37 3khl h ASP 1168Cb 1.23 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3khl h ASP 1168CO 0.31 0.75 -0.25 -0.33 -1.72 0.00 0.00 179.24 178.00 3khl h GLU 1169N 0.89 0.87 -0.05 3.56 4.39 -2.00 -2.79 114.58 119.45 3khl h GLU 1169Ca 0.21 -0.38 -0.12 0.00 0.34 0.00 0.00 59.36 59.41 3khl h GLU 1169Cb 0.19 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3khl h GLU 1169CO -0.02 1.02 -0.51 1.49 -1.16 0.00 0.00 179.01 179.83 3khl h GLU 1170N 0.75 0.12 -0.52 2.33 4.81 -1.77 -2.19 114.58 118.11 3khl h GLU 1170Ca 0.09 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 3khl h GLU 1170Cb 0.80 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.11 3khl h GLU 1170CO 0.07 0.61 0.09 0.28 -0.73 0.00 0.00 179.01 179.33 3khl h VAL 1171N 0.10 0.68 -0.63 0.32 2.07 -1.08 -0.22 116.25 117.49 3khl h VAL 1171Ca 0.00 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3khl h VAL 1171Cb 0.94 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3khl h VAL 1171CO 0.07 0.04 0.28 0.11 0.02 0.00 0.00 177.57 178.09 3khl h LYS 1172N 0.22 0.92 -0.66 1.57 1.79 -1.19 -1.33 116.57 117.89 3khl h LYS 1172Ca 0.26 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 3khl h LYS 1172Cb 0.37 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 3khl h LYS 1172CO -0.36 0.76 0.18 -0.09 -1.08 0.00 0.00 179.45 178.86 3khl h ARG 1173N 0.87 1.02 -0.06 3.15 2.43 -1.05 -2.70 114.38 118.04 3khl h ARG 1173Ca 0.21 -0.22 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 3khl h ARG 1173Cb 0.16 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3khl h ARG 1173CO -0.02 0.88 -0.72 -0.07 -1.51 0.00 0.00 179.97 178.53 3khl h LEU 1174N 0.98 0.35 -1.00 3.80 3.38 -0.80 0.20 115.31 122.21 3khl h LEU 1174Ca 0.21 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3khl h LEU 1174Cb 0.31 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 3khl h LEU 1174CO -0.00 0.95 0.65 0.40 0.09 0.00 0.00 178.44 180.52 3khl h ILE 1175N 0.20 1.08 0.06 1.22 2.04 -1.08 0.35 117.51 121.38 3khl h ILE 1175Ca -0.02 -0.40 -0.24 0.00 1.00 0.00 0.00 64.86 65.20 3khl h ILE 1175Cb 1.28 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3khl h ILE 1175CO 0.12 0.21 -1.08 0.03 0.00 0.00 0.00 178.15 177.43 3khl h ARG 1176N 1.17 0.15 0.00 2.37 3.08 -1.14 0.12 114.38 120.13 3khl h ARG 1176Ca 0.43 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 3khl h ARG 1176Cb 0.17 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3khl h ARG 1176CO -0.18 1.09 -1.24 0.39 -1.07 0.00 0.00 179.97 178.96 3khl n GLU 1177N -3.49 1.32 -2.07 0.04 1.02 0.65 -4.81 120.64 113.31 3khl n GLU 1177Ca -0.04 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 3khl n GLU 1177Cb 0.95 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 31.23 3khl n GLU 1177CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3khl s LEU 1178N -3.70 4.33 0.07 -4.62 2.96 0.09 -4.95 118.68 112.87 3khl s LEU 1178Ca -0.02 2.27 -0.36 0.00 -0.22 0.00 0.00 54.13 55.80 3khl s LEU 1178Cb 0.02 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 43.01 3khl s LEU 1178CO 0.19 -0.83 1.51 -0.67 -1.32 0.00 0.00 176.35 175.23 3khl n ASP 1179N 5.90 2.43 0.05 3.68 4.64 -1.26 -3.80 116.55 128.19 3khl n ASP 1179Ca 0.15 1.09 0.07 0.00 -1.38 0.00 0.00 54.79 54.72 3khl n ASP 1179Cb 0.42 -1.30 0.51 0.00 -1.04 0.00 0.00 41.12 39.72 3khl n ASP 1179CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 3khl h ILE 1180N 3.76 1.02 0.00 5.18 2.10 -1.66 0.11 117.51 128.01 3khl h ILE 1180Ca -0.47 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.35 3khl h ILE 1180Cb 1.30 0.64 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 3khl h ILE 1180CO 0.85 0.06 0.02 0.00 -1.08 0.00 0.00 178.15 178.01 3khl h ALA 1181N 1.80 1.02 -0.01 0.18 0.00 -1.84 -0.46 119.26 119.95 3khl h ALA 1181Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3khl h ALA 1181Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3khl h ALA 1181CO -0.03 -0.02 -0.10 -0.25 0.00 0.00 0.00 179.25 178.84 3khl n ASP 1182N -2.91 1.06 -4.72 0.00 8.00 0.38 -4.83 116.55 113.53 3khl n ASP 1182Ca -0.03 -1.10 -0.41 0.00 0.71 0.00 0.00 54.79 53.96 3khl n ASP 1182Cb 0.09 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 3khl n ASP 1182CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3khl s VAL 1183N -2.24 4.90 0.12 2.53 1.01 -0.18 -4.99 120.40 121.55 3khl s VAL 1183Ca 0.33 1.75 -0.35 0.00 0.00 0.00 0.00 61.98 63.71 3khl s VAL 1183Cb 0.20 -4.18 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 3khl s VAL 1183CO 0.42 0.23 1.51 -2.65 0.00 0.00 0.00 175.10 174.62 3khl n PRO 1184N 3.64 1.81 -0.18 2.72 -0.02 -1.26 -1.84 135.00 139.86 3khl n PRO 1184Ca 0.02 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3khl n PRO 1184Cb 0.51 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3khl n PRO 1184CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khl n GLY 1185N 3.15 0.60 3.14 -1.23 0.00 -1.26 -5.02 105.19 104.57 3khl n GLY 1185Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3khl n GLY 1185CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khl s ILE 1186N -2.36 3.97 0.00 -0.61 -1.09 -0.77 -5.02 121.20 115.32 3khl s ILE 1186Ca 0.00 -2.66 0.00 0.00 -2.23 0.00 0.00 60.65 55.76 3khl s ILE 1186Cb 0.00 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 3khl s ILE 1186CO 0.00 -0.87 0.00 0.61 -1.23 0.00 0.00 174.94 173.45 3khl n GLY 1187N 3.83 -0.01 0.21 6.18 0.00 -1.26 -4.72 105.19 109.42 3khl n GLY 1187Ca 0.06 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 3khl n GLY 1187CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khl h ASN 1188N 0.00 0.34 0.21 1.61 -0.26 -1.98 -1.63 115.58 113.87 3khl h ASN 1188Ca 0.00 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 3khl h ASN 1188Cb 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 3khl h ASN 1188CO 0.00 0.23 -0.10 0.40 -1.06 0.00 0.00 177.43 176.90 3khl h ILE 1189N 0.48 0.83 -0.75 2.81 1.08 -2.00 -2.47 117.51 117.48 3khl h ILE 1189Ca 0.24 -0.15 -0.05 0.00 -0.39 0.00 0.00 64.86 64.50 3khl h ILE 1189Cb 0.17 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 3khl h ILE 1189CO -0.18 0.03 0.26 0.74 -0.69 0.00 0.00 178.15 178.31 3khl h THR 1190N -0.35 1.26 -0.98 -0.27 2.02 -1.91 -2.36 112.91 110.32 3khl h THR 1190Ca -0.03 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.31 3khl h THR 1190Cb 0.27 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 3khl h THR 1190CO 0.05 0.35 0.64 0.00 0.37 0.00 0.00 175.52 176.92 3khl h ALA 1191N 1.13 1.30 -0.02 6.16 0.00 -1.21 0.84 119.26 127.47 3khl h ALA 1191Ca 0.25 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 3khl h ALA 1191Cb 0.28 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3khl h ALA 1191CO -0.01 0.51 -0.87 0.93 0.00 0.00 0.00 179.25 179.81 3khl h GLU 1192N 1.23 0.36 -0.73 0.00 4.39 -1.26 -0.46 114.58 118.10 3khl h GLU 1192Ca 0.39 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 3khl h GLU 1192Cb 0.02 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3khl h GLU 1192CO -0.13 1.03 0.28 0.87 -1.16 0.00 0.00 179.01 179.90 3khl h LYS 1193N 0.21 1.10 -0.14 2.33 1.57 -0.98 -2.55 116.57 118.11 3khl h LYS 1193Ca -0.06 -0.20 -0.18 0.00 -1.87 0.00 0.00 60.65 58.34 3khl h LYS 1193Cb 1.49 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 3khl h LYS 1193CO 0.15 0.90 -0.65 -0.07 -0.57 0.00 0.00 179.45 179.20 3khl h LEU 1194N 1.07 0.61 -1.23 2.94 3.38 -0.70 -2.97 115.31 118.41 3khl h LEU 1194Ca 0.24 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3khl h LEU 1194Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3khl h LEU 1194CO -0.02 1.10 0.17 0.11 0.09 0.00 0.00 178.44 179.90 3khl h LYS 1195N 0.38 0.70 0.00 1.13 1.57 -0.99 0.16 116.57 119.53 3khl h LYS 1195Ca -0.02 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3khl h LYS 1195Cb 1.22 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3khl h LYS 1195CO 0.12 0.60 -0.21 0.87 -0.57 0.00 0.00 179.45 180.26 3khl h LYS 1196N 0.70 0.00 -0.01 3.15 1.79 -1.31 -1.16 116.57 119.73 3khl h LYS 1196Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3khl h LYS 1196Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3khl h LYS 1196CO -0.01 0.21 -0.01 1.28 -1.08 0.00 0.00 179.45 179.84 3khl n LEU 1197N -3.75 1.06 -0.04 2.94 4.77 -0.91 -4.92 117.00 116.14 3khl n LEU 1197Ca -0.02 -0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3khl n LEU 1197Cb 0.32 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3khl n LEU 1197CO 0.33 0.18 -0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3khl n GLY 1198N 1.13 0.47 3.50 -0.72 0.00 -0.44 -5.03 105.19 104.11 3khl n GLY 1198Ca 0.20 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 3khl n GLY 1198CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khl s ILE 1199N -1.99 4.92 -0.05 -0.61 1.01 0.51 -4.90 121.20 120.09 3khl s ILE 1199Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.64 3khl s ILE 1199Cb 0.00 -4.16 -0.13 0.00 0.01 0.00 0.00 42.46 38.18 3khl s ILE 1199CO 0.00 -0.56 0.13 0.59 0.00 0.00 0.00 174.94 175.10 3khl n ASN 1200N 6.04 2.86 -4.09 3.58 3.02 -1.26 -3.82 115.26 121.59 3khl n ASN 1200Ca -0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.40 3khl n ASN 1200Cb 0.47 1.11 -0.11 0.00 -0.61 0.00 0.00 39.78 40.65 3khl n ASN 1200CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3khl s LYS 1201N -2.45 0.61 0.30 3.52 -0.14 -1.26 -1.70 119.74 118.62 3khl s LYS 1201Ca -0.04 -0.97 0.06 0.00 -1.36 0.00 0.00 55.97 53.67 3khl s LYS 1201Cb 0.04 -0.18 0.83 0.00 -1.68 0.00 0.00 37.83 36.84 3khl s LYS 1201CO 0.37 0.00 1.68 -0.07 -0.76 0.00 0.00 175.35 176.58 3khl h LEU 1202N 3.90 0.33 -1.94 3.17 3.38 -1.65 0.11 115.31 122.61 3khl h LEU 1202Ca -0.35 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3khl h LEU 1202Cb 1.19 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 3khl h LEU 1202CO 0.51 -0.06 -0.05 1.62 0.09 0.00 0.00 178.44 180.55 3khl h VAL 1203N 0.35 1.00 -0.05 1.22 3.04 -1.28 -2.35 116.25 118.18 3khl h VAL 1203Ca 0.61 -0.16 0.01 0.00 -1.01 0.00 0.00 66.70 66.15 3khl h VAL 1203Cb 1.23 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.60 3khl h VAL 1203CO -0.57 0.05 0.05 0.44 -1.01 0.00 0.00 177.57 176.52 3khl h ASP 1204N 0.00 0.00 0.41 3.17 3.32 -1.06 -1.52 116.42 120.73 3khl h ASP 1204Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3khl h ASP 1204Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3khl h ASP 1204CO 0.01 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.88 3khl n THR 1205N -4.07 0.46 0.68 0.35 -2.24 -0.88 -2.20 114.28 106.37 3khl n THR 1205Ca -0.02 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 3khl n THR 1205Cb 0.14 -0.80 0.16 0.00 -2.10 0.00 0.00 70.33 67.73 3khl n THR 1205CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3khl n LEU 1206N -1.32 0.63 -0.94 3.22 4.77 -0.57 -4.18 117.00 118.61 3khl n LEU 1206Ca 0.08 0.11 0.08 0.00 -0.03 0.00 0.00 56.01 56.25 3khl n LEU 1206Cb 0.16 -0.18 0.23 0.00 -2.33 0.00 0.00 43.42 41.30 3khl n LEU 1206CO 0.15 0.01 0.69 -1.20 -1.33 0.00 0.00 177.39 175.72 3khl n SER 1207N -1.92 3.53 -4.46 -1.43 7.64 -0.94 -4.92 113.62 111.12 3khl n SER 1207Ca 0.03 -2.23 -0.32 0.00 1.01 0.00 0.00 58.87 57.37 3khl n SER 1207Cb 0.41 -0.37 -0.13 0.00 -1.01 0.00 0.00 64.21 63.11 3khl n SER 1207CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3khl s ILE 1208N -1.41 2.86 0.18 0.44 2.07 -1.24 -5.10 121.20 119.00 3khl s ILE 1208Ca 0.35 -0.97 -0.32 0.00 -1.41 0.00 0.00 60.65 58.30 3khl s ILE 1208Cb 0.21 -2.15 -0.11 0.00 0.13 0.00 0.00 42.46 40.54 3khl s ILE 1208CO 0.19 0.47 1.62 -0.70 -1.91 0.00 0.00 174.94 174.60 3khl s GLU 1209N -1.07 4.18 0.24 3.50 2.12 -1.26 -4.90 118.70 121.51 3khl s GLU 1209Ca 0.13 2.45 -0.07 0.00 0.36 0.00 0.00 54.97 57.84 3khl s GLU 1209Cb -0.11 -3.12 0.28 0.00 0.26 0.00 0.00 34.13 31.44 3khl s GLU 1209CO 0.03 -0.65 1.87 0.35 -0.54 0.00 0.00 175.26 176.32 3khl h PHE 1210N 6.73 1.03 -0.44 5.30 3.57 -1.98 -2.15 116.94 129.00 3khl h PHE 1210Ca -0.43 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 3khl h PHE 1210Cb 1.20 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3khl h PHE 1210CO 0.64 0.57 0.18 -0.44 -2.23 0.00 0.00 178.31 177.03 3khl h ASP 1211N 1.05 0.56 -0.28 0.41 3.32 -1.98 -0.16 116.42 119.33 3khl h ASP 1211Ca 0.35 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 3khl h ASP 1211Cb 0.05 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3khl h ASP 1211CO -0.13 0.51 -0.21 0.50 -1.72 0.00 0.00 179.24 178.19 3khl h LYS 1212N 0.62 0.64 -0.51 3.56 3.64 -1.79 0.10 116.57 122.83 3khl h LYS 1212Ca 0.15 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 3khl h LYS 1212Cb 0.12 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3khl h LYS 1212CO -0.02 0.91 0.22 1.25 -2.27 0.00 0.00 179.45 179.54 3khl h LEU 1213N 0.37 0.70 -0.42 5.20 5.85 -1.25 -2.80 115.31 122.96 3khl h LEU 1213Ca 0.05 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.66 3khl h LEU 1213Cb 0.76 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3khl h LEU 1213CO 0.06 0.67 0.16 0.50 -0.34 0.00 0.00 178.44 179.48 3khl h LYS 1214N 0.69 0.32 -0.27 1.25 3.64 -0.96 -1.27 116.57 119.97 3khl h LYS 1214Ca 0.17 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 3khl h LYS 1214Cb 0.18 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3khl h LYS 1214CO -0.02 0.21 0.19 0.78 -2.27 0.00 0.00 179.45 178.34 3khl h GLY 1215N 0.33 0.13 0.35 5.01 0.00 -0.85 0.23 103.07 108.26 3khl h GLY 1215Ca 0.19 -0.04 -0.28 0.00 0.00 0.00 0.00 47.33 47.20 3khl h GLY 1215CO -0.19 0.03 -1.50 1.98 0.00 0.00 0.00 176.54 176.86 3khl h MET 1216N 0.10 0.15 -0.00 4.80 1.85 -1.20 -3.42 114.93 117.21 3khl h MET 1216Ca 0.12 -0.26 0.00 0.00 -0.61 0.00 0.00 59.70 58.95 3khl h MET 1216Cb 0.35 0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.48 3khl h MET 1216CO -0.01 1.12 -0.12 0.44 -0.40 0.00 0.00 176.91 177.94 3khl n ILE 1217N -4.00 0.00 0.00 1.77 -5.35 -0.52 -5.04 119.36 106.22 3khl n ILE 1217Ca -0.29 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 3khl n ILE 1217Cb 0.85 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.82 3khl n ILE 1217CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khl n GLY 1218N 0.71 -0.01 0.10 3.28 0.00 0.79 -4.50 105.19 105.56 3khl n GLY 1218Ca 0.02 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 3khl n GLY 1218CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3khl h GLU 1219N 0.00 0.18 -0.36 1.61 4.81 -1.92 -1.93 114.58 116.97 3khl h GLU 1219Ca 0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3khl h GLU 1219Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3khl h GLU 1219CO 0.00 0.12 0.02 0.00 -0.73 0.00 0.00 179.01 178.42 3khl h ALA 1220N 1.11 0.48 -0.15 2.92 0.00 -1.96 -1.00 119.26 120.66 3khl h ALA 1220Ca 0.08 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3khl h ALA 1220Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3khl h ALA 1220CO -0.07 0.22 -0.45 0.87 0.00 0.00 0.00 179.25 179.82 3khl h LYS 1221N 0.44 0.38 0.21 0.00 1.57 -1.78 -1.97 116.57 115.43 3khl h LYS 1221Ca 0.10 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3khl h LYS 1221Cb 0.42 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3khl h LYS 1221CO 0.01 0.76 -0.10 0.00 -0.57 0.00 0.00 179.45 179.55 3khl h ALA 1222N 1.21 -0.28 -0.72 3.86 0.00 -1.20 -0.99 119.26 121.14 3khl h ALA 1222Ca 0.02 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3khl h ALA 1222Cb 0.92 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3khl h ALA 1222CO 0.08 -0.63 0.45 0.87 0.00 0.00 0.00 179.25 180.01 3khl h LYS 1223N -0.34 0.84 0.33 0.00 1.57 -1.15 -0.34 116.57 117.48 3khl h LYS 1223Ca -0.03 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3khl h LYS 1223Cb 0.26 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3khl h LYS 1223CO 0.05 0.56 -0.27 -0.92 -0.57 0.00 0.00 179.45 178.30 3khl h TYR 1224N 0.87 -0.70 -0.50 -1.35 3.20 -1.27 -1.30 116.97 115.91 3khl h TYR 1224Ca 0.29 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 3khl h TYR 1224Cb 0.04 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3khl h TYR 1224CO -0.04 -0.40 0.17 -0.07 -1.64 0.00 0.00 178.16 176.19 3khl h LEU 1225N -0.60 0.71 -0.52 2.82 3.38 -0.85 -1.85 115.31 118.39 3khl h LEU 1225Ca -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3khl h LEU 1225Cb 0.53 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3khl h LEU 1225CO -0.02 0.71 0.34 0.40 0.09 0.00 0.00 178.44 179.96 3khl h ILE 1226N 0.67 1.14 0.00 1.22 2.04 -1.03 -0.15 117.51 121.40 3khl h ILE 1226Ca 0.16 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 3khl h ILE 1226Cb 0.24 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3khl h ILE 1226CO -0.01 0.14 -0.48 0.77 0.00 0.00 0.00 178.15 178.56 3khl h SER 1227N 0.71 0.00 -0.01 1.72 4.64 -0.96 0.14 113.55 119.80 3khl h SER 1227Ca 0.19 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3khl h SER 1227Cb -0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3khl h SER 1227CO -0.04 0.48 0.00 -0.07 -0.87 0.00 0.00 176.83 176.33 3khl h LEU 1228N 0.00 0.01 -1.23 5.97 3.38 -1.11 0.75 115.31 123.08 3khl h LEU 1228Ca -0.00 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 57.78 3khl h LEU 1228Cb 0.88 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 3khl h LEU 1228CO 0.06 0.31 0.57 0.00 0.09 0.00 0.00 178.44 179.47 3khl h ALA 1229N 0.70 1.70 0.00 1.53 0.00 -0.43 0.64 119.26 123.41 3khl h ALA 1229Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3khl h ALA 1229Cb 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3khl h ALA 1229CO 0.00 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.89 3khl n ARG 1230N -4.54 0.77 -3.20 0.00 1.74 0.45 -4.86 116.66 107.02 3khl n ARG 1230Ca 0.16 0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 57.04 3khl n ARG 1230Cb 0.36 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.35 3khl n ARG 1230CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3khl n ASP 1231N -1.06 -5.79 -0.02 0.55 -0.08 0.22 -4.91 116.55 105.46 3khl n ASP 1231Ca 0.19 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 3khl n ASP 1231Cb 0.12 -4.52 0.00 0.00 2.34 0.00 0.00 41.12 39.07 3khl n ASP 1231CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3khl n GLU 1232N -4.09 1.47 -1.93 -0.67 1.02 0.19 -5.03 120.64 111.60 3khl n GLU 1232Ca -0.05 -0.38 -0.42 0.00 -0.02 0.00 0.00 57.16 56.29 3khl n GLU 1232Cb 0.58 -0.87 -0.03 0.00 -0.02 0.00 0.00 31.44 31.11 3khl n GLU 1232CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3khl s TYR 1233N -0.37 2.83 -0.34 -0.32 5.04 -0.80 -4.89 117.35 118.50 3khl s TYR 1233Ca 0.01 0.51 0.14 0.00 -2.44 0.00 0.00 57.07 55.29 3khl s TYR 1233Cb 0.01 -3.94 0.43 0.00 0.35 0.00 0.00 41.96 38.80 3khl s TYR 1233CO 0.02 -3.60 1.35 -1.71 -1.34 0.00 0.00 175.55 170.27 3khl n ASN 1234N 4.55 -0.73 -4.73 4.32 5.15 -1.26 -4.79 115.26 117.77 3khl n ASN 1234Ca 0.15 -2.30 -0.41 0.00 -0.60 0.00 0.00 54.58 51.41 3khl n ASN 1234Cb 0.39 0.44 -0.03 0.00 -0.53 0.00 0.00 39.78 40.04 3khl n ASN 1234CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3khl s GLU 1235N -0.91 4.46 0.67 1.20 0.41 -1.26 -4.99 118.70 118.28 3khl s GLU 1235Ca 0.18 1.90 -0.13 0.00 -0.41 0.00 0.00 54.97 56.50 3khl s GLU 1235Cb 0.41 -3.24 0.00 0.00 -1.78 0.00 0.00 34.13 29.52 3khl s GLU 1235CO -0.08 -0.15 1.08 -2.14 -0.49 0.00 0.00 175.26 173.48 3khl s PRO 1236N -0.03 2.88 -0.36 0.39 0.02 -1.26 -4.72 135.00 131.92 3khl s PRO 1236Ca 0.55 1.21 -0.29 0.00 0.02 0.00 0.00 61.00 62.48 3khl s PRO 1236Cb -0.33 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.23 3khl s PRO 1236CO 0.36 -1.17 1.29 0.42 -0.33 0.00 0.00 177.00 177.57 3khl s ILE 1237N -2.62 4.12 0.07 2.83 1.09 -1.26 -5.02 121.20 120.41 3khl s ILE 1237Ca 0.63 1.22 0.07 0.00 -1.10 0.00 0.00 60.65 61.47 3khl s ILE 1237Cb -0.17 -4.26 -0.03 0.00 -1.06 0.00 0.00 42.46 36.94 3khl s ILE 1237CO 0.46 -0.64 -0.19 0.00 -0.10 0.00 0.00 174.94 174.47 3khl s ARG 1238N 4.37 1.15 0.09 2.79 1.70 -1.26 -4.82 118.95 122.97 3khl s ARG 1238Ca 0.55 -1.01 -0.35 0.00 -0.47 0.00 0.00 55.73 54.45 3khl s ARG 1238Cb -0.14 -1.30 -0.14 0.00 -0.57 0.00 0.00 34.95 32.80 3khl s ARG 1238CO 0.26 0.31 1.57 2.41 -1.08 0.00 0.00 175.30 178.78 3khl n THR 1239N 1.46 0.09 -3.12 4.99 -1.04 -1.26 -4.50 114.28 110.90 3khl n THR 1239Ca -0.19 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.05 61.42 3khl n THR 1239Cb 0.54 -1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 67.59 3khl n THR 1239CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3khl s ARG 1240N 1.34 4.35 -0.19 -2.82 0.52 -1.26 -5.05 118.95 115.85 3khl s ARG 1240Ca 0.83 0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 56.95 3khl s ARG 1240Cb -0.76 -3.14 -0.00 0.00 0.52 0.00 0.00 34.95 31.56 3khl s ARG 1240CO 0.43 0.54 -0.11 0.08 0.02 0.00 0.00 175.30 176.26 3khl s VAL 1241N -1.25 2.92 0.07 3.52 1.01 -1.26 -5.02 120.40 120.39 3khl s VAL 1241Ca 0.35 -0.66 -0.36 0.00 0.00 0.00 0.00 61.98 61.31 3khl s VAL 1241Cb -0.20 -2.28 -0.16 0.00 0.00 0.00 0.00 36.38 33.74 3khl s VAL 1241CO 0.22 0.48 1.43 -1.14 0.00 0.00 0.00 175.10 176.09 3khl n ARG 1242N 4.42 1.35 -0.04 2.72 3.00 -1.26 -4.90 116.66 121.95 3khl n ARG 1242Ca -0.19 0.49 -0.02 0.00 -0.00 0.00 0.00 57.85 58.13 3khl n ARG 1242Cb 0.51 -2.16 -0.10 0.00 0.00 0.00 0.00 32.46 30.71 3khl n ARG 1242CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3khl n LYS 1243N 2.99 1.53 -3.86 -0.14 5.02 -1.26 -4.99 118.16 117.45 3khl n LYS 1243Ca 0.19 -0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 56.34 3khl n LYS 1243Cb 0.21 -1.30 -0.08 0.00 -0.02 0.00 0.00 35.03 33.83 3khl n LYS 1243CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3khl s SER 1244N -4.14 0.08 -0.04 4.39 1.04 -1.26 -3.84 113.70 109.93 3khl s SER 1244Ca -0.05 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 3khl s SER 1244Cb 0.05 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.49 3khl s SER 1244CO 0.50 -0.59 0.04 -0.63 0.98 0.00 0.00 173.24 173.54 3khl s ILE 1245N -2.89 -0.02 0.28 -1.02 -1.09 -0.38 -4.98 121.20 111.10 3khl s ILE 1245Ca -0.03 0.33 -0.01 0.00 -2.23 0.00 0.00 60.65 58.71 3khl s ILE 1245Cb 0.00 -0.19 -0.02 0.00 -1.58 0.00 0.00 42.46 40.67 3khl s ILE 1245CO -0.06 0.17 0.32 -0.83 -1.23 0.00 0.00 174.94 173.32 3khl s GLY 1246N 1.86 1.53 -0.15 6.18 0.00 -1.26 -0.76 107.32 114.72 3khl s GLY 1246Ca 0.01 -1.61 -0.09 0.00 0.00 0.00 0.00 44.72 43.03 3khl s GLY 1246CO -0.03 -1.17 0.37 -1.60 0.00 0.00 0.00 173.10 170.66 3khl s ARG 1247N -3.63 0.37 -0.01 2.90 6.06 -0.55 -4.84 118.95 119.24 3khl s ARG 1247Ca 0.34 0.68 0.04 0.00 -2.50 0.00 0.00 55.73 54.29 3khl s ARG 1247Cb 0.02 0.01 -0.01 0.00 0.06 0.00 0.00 34.95 35.04 3khl s ARG 1247CO 0.18 -0.13 -0.14 -1.50 -2.50 0.00 0.00 175.30 171.20 3khl s ILE 1248N 1.10 1.12 0.09 4.11 2.07 -1.26 -1.18 121.20 127.26 3khl s ILE 1248Ca -0.07 -0.61 0.04 0.00 -1.41 0.00 0.00 60.65 58.60 3khl s ILE 1248Cb -0.07 -0.94 -0.03 0.00 0.13 0.00 0.00 42.46 41.54 3khl s ILE 1248CO -0.09 0.32 -0.11 0.68 -1.91 0.00 0.00 174.94 173.83 3khl s VAL 1249N -0.31 0.95 -0.13 4.00 -7.23 -0.52 -4.97 120.40 112.19 3khl s VAL 1249Ca 0.05 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 3khl s VAL 1249Cb -0.06 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 3khl s VAL 1249CO -0.00 -0.50 0.22 -0.89 -0.31 0.00 0.00 175.10 173.62 3khl s THR 1250N -2.23 5.35 0.36 5.32 2.01 -1.26 -1.56 115.64 123.63 3khl s THR 1250Ca 0.04 0.40 -0.23 0.00 0.31 0.00 0.00 61.69 62.21 3khl s THR 1250Cb -0.04 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 3khl s THR 1250CO 0.00 0.51 0.92 -0.04 -0.69 0.00 0.00 174.62 175.32 3khl s MET 1251N -0.33 4.38 0.15 4.92 -1.94 -0.92 -4.96 119.30 120.60 3khl s MET 1251Ca 0.15 1.17 -0.24 0.00 -1.71 0.00 0.00 55.69 55.06 3khl s MET 1251Cb -0.13 -2.54 0.01 0.00 2.01 0.00 0.00 34.83 34.18 3khl s MET 1251CO 0.04 0.16 1.62 0.87 -0.01 0.00 0.00 175.02 177.70 3khl h LYS 1252N 2.64 -0.30 -5.79 2.03 1.57 -1.89 -3.43 116.57 111.40 3khl h LYS 1252Ca -0.48 0.02 -0.49 0.00 -1.87 0.00 0.00 60.65 57.83 3khl h LYS 1252Cb 1.19 0.07 -0.21 0.00 0.08 0.00 0.00 32.23 33.36 3khl h LYS 1252CO 0.63 -0.20 -0.80 -0.98 -0.57 0.00 0.00 179.45 177.53 3khl s ARG 1253N -6.03 1.02 0.48 3.15 1.70 -1.26 -4.78 118.95 113.24 3khl s ARG 1253Ca -0.15 -1.12 -0.22 0.00 -0.47 0.00 0.00 55.73 53.77 3khl s ARG 1253Cb 0.12 -1.14 -0.09 0.00 -0.57 0.00 0.00 34.95 33.26 3khl s ARG 1253CO 0.67 0.26 0.88 0.09 -1.08 0.00 0.00 175.30 176.11 3khl n ASN 1254N 1.02 0.57 -3.49 -2.89 3.02 -1.26 -4.94 115.26 107.29 3khl n ASN 1254Ca -0.19 0.92 -0.16 0.00 -0.03 0.00 0.00 54.58 55.13 3khl n ASN 1254Cb 0.54 -1.31 -0.05 0.00 -0.61 0.00 0.00 39.78 38.36 3khl n ASN 1254CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3khl s SER 1255N -0.94 -0.62 0.00 6.41 0.15 -0.72 -4.90 113.70 113.09 3khl s SER 1255Ca 0.67 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.78 3khl s SER 1255Cb -0.51 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 3khl s SER 1255CO 0.54 -0.73 0.79 0.54 1.20 0.00 0.00 173.24 175.59 3khl n ARG 1256N 0.48 1.77 -3.30 5.44 1.74 -1.26 -0.29 116.66 121.23 3khl n ARG 1256Ca -0.18 -1.10 -0.39 0.00 -0.77 0.00 0.00 57.85 55.40 3khl n ARG 1256Cb 0.60 -0.86 -0.08 0.00 -1.02 0.00 0.00 32.46 31.10 3khl n ARG 1256CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3khl s ASN 1257N -0.62 6.43 0.17 0.55 3.84 -1.26 -5.00 114.94 119.06 3khl s ASN 1257Ca 0.00 0.52 -0.13 0.00 0.21 0.00 0.00 52.86 53.46 3khl s ASN 1257Cb 0.00 -2.26 0.07 0.00 -0.55 0.00 0.00 41.25 38.51 3khl s ASN 1257CO 0.00 -0.20 1.77 0.25 -2.79 0.00 0.00 177.10 176.14 3khl h LEU 1258N 8.29 0.74 -1.57 3.21 5.85 -1.99 -1.09 115.31 128.76 3khl h LEU 1258Ca -0.32 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 3khl h LEU 1258Cb 1.15 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3khl h LEU 1258CO 0.71 0.64 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.91 3khl h GLU 1259N 0.78 0.00 0.12 1.25 4.39 -2.00 -0.81 114.58 118.32 3khl h GLU 1259Ca 0.20 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.62 3khl h GLU 1259Cb 0.08 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3khl h GLU 1259CO -0.03 0.21 -1.22 1.49 -1.16 0.00 0.00 179.01 178.30 3khl h GLU 1260N 0.00 0.43 0.04 2.33 4.81 -1.88 -3.35 114.58 116.96 3khl h GLU 1260Ca -0.00 -0.63 -0.23 0.00 -0.13 0.00 0.00 59.36 58.37 3khl h GLU 1260Cb 0.50 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3khl h GLU 1260CO 0.03 1.27 -1.01 0.82 -0.73 0.00 0.00 179.01 179.39 3khl h ILE 1261N 0.17 1.50 -0.63 2.32 2.04 -0.91 -3.39 117.51 118.61 3khl h ILE 1261Ca -0.16 -2.80 0.13 0.00 1.00 0.00 0.00 64.86 63.03 3khl h ILE 1261Cb 1.91 2.64 -0.10 0.00 -0.74 0.00 0.00 36.82 40.53 3khl h ILE 1261CO 0.22 0.82 0.07 0.11 0.00 0.00 0.00 178.15 179.37 3khl h LYS 1262N 0.11 0.18 -0.07 2.37 1.57 -1.28 -2.27 116.57 117.17 3khl h LYS 1262Ca -0.08 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3khl h LYS 1262Cb 1.69 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.95 3khl h LYS 1262CO 0.16 0.12 -0.21 -1.35 -0.57 0.00 0.00 179.45 177.60 3khl h PRO 1263N 0.19 0.12 -0.04 3.15 0.11 -1.77 0.19 132.00 133.94 3khl h PRO 1263Ca 0.33 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 3khl h PRO 1263Cb 0.54 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 3khl h PRO 1263CO -0.48 0.33 0.01 1.88 -0.21 0.00 0.00 178.00 179.52 3khl h TYR 1264N 0.11 0.07 -0.56 0.65 0.05 -1.68 -2.01 116.97 113.60 3khl h TYR 1264Ca 0.02 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.81 3khl h TYR 1264Cb 0.44 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.12 3khl h TYR 1264CO 0.00 0.30 0.34 1.25 -1.05 0.00 0.00 178.16 179.01 3khl h LEU 1265N -0.19 0.56 -0.93 3.88 5.85 -1.01 -1.88 115.31 121.59 3khl h LEU 1265Ca 0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3khl h LEU 1265Cb 0.27 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3khl h LEU 1265CO 0.00 0.39 0.58 -0.26 -0.34 0.00 0.00 178.44 178.81 3khl h PHE 1266N 0.68 1.21 -0.22 1.25 0.04 -0.61 -2.25 116.94 117.03 3khl h PHE 1266Ca 0.22 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.91 3khl h PHE 1266Cb 0.02 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 37.75 3khl h PHE 1266CO -0.06 0.79 -0.27 -0.09 -0.60 0.00 0.00 178.31 178.08 3khl h ARG 1267N 1.28 0.43 -0.83 1.51 2.43 -1.00 -1.37 114.38 116.83 3khl h ARG 1267Ca 0.34 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3khl h ARG 1267Cb -0.08 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 3khl h ARG 1267CO -0.07 0.67 0.54 0.00 -1.51 0.00 0.00 179.97 179.61 3khl h ALA 1268N 1.34 1.06 -0.05 2.80 0.00 -0.85 -1.99 119.26 121.56 3khl h ALA 1268Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3khl h ALA 1268Cb 0.68 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3khl h ALA 1268CO 0.05 0.43 0.00 0.82 0.00 0.00 0.00 179.25 180.56 3khl h ILE 1269N 1.10 1.24 -0.29 0.00 2.04 -0.93 -0.93 117.51 119.74 3khl h ILE 1269Ca 0.31 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.51 3khl h ILE 1269Cb -0.10 1.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 3khl h ILE 1269CO -0.08 0.20 -0.15 -0.33 0.00 0.00 0.00 178.15 177.79 3khl h GLU 1270N -0.18 -0.11 -0.34 2.37 4.39 -1.08 0.44 114.58 120.06 3khl h GLU 1270Ca 0.02 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3khl h GLU 1270Cb 0.31 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3khl h GLU 1270CO 0.00 -0.07 0.08 0.93 -1.16 0.00 0.00 179.01 178.79 3khl h GLU 1271N -0.11 0.55 -0.60 2.33 5.08 -1.40 -2.09 114.58 118.33 3khl h GLU 1271Ca 0.15 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3khl h GLU 1271Cb 0.34 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3khl h GLU 1271CO -0.36 0.60 0.39 0.77 -1.00 0.00 0.00 179.01 179.41 3khl h SER 1272N 0.40 0.67 0.11 1.42 0.02 -0.54 -2.05 113.55 113.57 3khl h SER 1272Ca 0.11 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 3khl h SER 1272Cb 0.30 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3khl h SER 1272CO 0.00 0.48 -0.29 0.22 -1.14 0.00 0.00 176.83 176.10 3khl h TYR 1273N 0.79 0.33 -0.65 3.45 5.03 -0.02 -2.05 116.97 123.86 3khl h TYR 1273Ca 0.22 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.40 3khl h TYR 1273Cb -0.07 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.10 3khl h TYR 1273CO -0.04 0.57 0.16 -0.92 -1.32 0.00 0.00 178.16 176.61 3khl h TYR 1274N 0.26 1.08 0.00 -3.82 3.20 -1.01 -2.75 116.97 113.93 3khl h TYR 1274Ca 0.04 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3khl h TYR 1274Cb 0.66 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3khl h TYR 1274CO 0.01 0.90 0.00 0.87 -1.64 0.00 0.00 178.16 178.30 3khl h LYS 1275N 0.96 0.00 -0.77 1.82 1.57 -0.68 -3.26 116.57 116.21 3khl h LYS 1275Ca 0.20 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 3khl h LYS 1275Cb 0.35 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 3khl h LYS 1275CO 0.00 0.00 0.50 -0.07 -0.57 0.00 0.00 179.45 179.31 3khl h LEU 1276N 0.00 0.66 -1.95 2.94 3.38 -1.14 -3.47 115.31 115.73 3khl h LEU 1276Ca 0.00 0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.64 3khl h LEU 1276Cb 0.29 -0.13 0.14 0.00 0.09 0.00 0.00 40.66 41.06 3khl h LEU 1276CO 0.00 0.40 -0.82 -0.67 0.09 0.00 0.00 178.44 177.45 3khl n ASP 1277N -4.50 -2.94 0.00 -0.43 4.64 -1.23 -1.99 116.55 110.10 3khl n ASP 1277Ca 0.12 -0.72 0.00 0.00 -1.38 0.00 0.00 54.79 52.82 3khl n ASP 1277Cb 0.29 -4.74 0.00 0.00 -1.04 0.00 0.00 41.12 35.63 3khl n ASP 1277CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3khl n LYS 1278N -3.99 0.00 -2.23 -0.67 4.76 -1.26 -5.04 118.16 109.73 3khl n LYS 1278Ca -0.24 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.80 3khl n LYS 1278Cb 0.66 -0.46 -0.03 0.00 -1.84 0.00 0.00 35.03 33.35 3khl n LYS 1278CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3khl s ARG 1279N -0.43 4.43 -0.31 1.97 0.52 -0.84 -5.02 118.95 119.26 3khl s ARG 1279Ca 0.00 2.07 -0.03 0.00 -0.52 0.00 0.00 55.73 57.25 3khl s ARG 1279Cb 0.00 -3.14 0.05 0.00 0.52 0.00 0.00 34.95 32.38 3khl s ARG 1279CO 0.00 -0.13 0.03 0.42 0.02 0.00 0.00 175.30 175.64 3khl s ILE 1280N -0.67 3.12 0.22 1.52 -1.09 -1.26 -4.90 121.20 118.14 3khl s ILE 1280Ca 0.51 -1.38 -0.30 0.00 -2.23 0.00 0.00 60.65 57.25 3khl s ILE 1280Cb -0.37 -2.81 -0.09 0.00 -1.58 0.00 0.00 42.46 37.61 3khl s ILE 1280CO 0.45 -0.15 0.94 -2.16 -1.23 0.00 0.00 174.94 172.78 3khl s PRO 1281N 1.27 4.83 0.02 2.79 0.04 -1.26 -0.90 135.00 141.79 3khl s PRO 1281Ca -0.04 1.47 0.22 0.00 0.04 0.00 0.00 61.00 62.70 3khl s PRO 1281Cb -0.20 -3.29 -0.09 0.00 0.04 0.00 0.00 34.50 30.96 3khl s PRO 1281CO -0.01 0.49 0.91 1.63 0.04 0.00 0.00 177.00 180.06 3khl n LYS 1282N 1.65 0.26 -4.45 4.56 5.02 -0.17 -0.26 118.16 124.76 3khl n LYS 1282Ca -0.02 -0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.01 3khl n LYS 1282Cb 0.47 -1.55 -0.13 0.00 -0.02 0.00 0.00 35.03 33.80 3khl n LYS 1282CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khl s ALA 1283N -3.19 1.52 -0.02 7.82 0.00 -0.85 -0.44 121.76 126.61 3khl s ALA 1283Ca 0.03 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3khl s ALA 1283Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3khl s ALA 1283CO 0.84 0.31 -0.07 -1.50 0.00 0.00 0.00 175.76 175.34 3khl s ILE 1284N -0.91 0.63 0.03 0.00 2.07 -0.60 -1.89 121.20 120.54 3khl s ILE 1284Ca 0.05 -0.30 0.06 0.00 -1.41 0.00 0.00 60.65 59.05 3khl s ILE 1284Cb -0.09 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 3khl s ILE 1284CO 0.02 0.19 -0.18 -1.00 -1.91 0.00 0.00 174.94 172.07 3khl s HIS 1285N 0.07 1.57 -0.10 3.50 3.76 -0.49 -0.62 115.29 122.99 3khl s HIS 1285Ca -0.01 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 3khl s HIS 1285Cb -0.06 -0.94 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 3khl s HIS 1285CO -0.00 0.06 -0.00 0.08 -0.85 0.00 0.00 174.74 174.03 3khl s VAL 1286N -0.76 4.29 -0.05 -0.90 1.01 0.98 -1.03 120.40 123.95 3khl s VAL 1286Ca 0.05 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3khl s VAL 1286Cb -0.08 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3khl s VAL 1286CO 0.01 0.59 -0.16 0.68 0.00 0.00 0.00 175.10 176.22 3khl s VAL 1287N -0.71 2.90 -0.08 2.92 -7.23 0.22 -2.03 120.40 116.39 3khl s VAL 1287Ca 0.11 -0.78 0.05 0.00 -1.81 0.00 0.00 61.98 59.54 3khl s VAL 1287Cb -0.12 -2.12 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 3khl s VAL 1287CO 0.02 0.59 -0.22 0.00 -0.31 0.00 0.00 175.10 175.18 3khl s ALA 1288N -0.69 2.00 -0.21 1.32 0.00 -0.11 -0.80 121.76 123.27 3khl s ALA 1288Ca 0.11 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 3khl s ALA 1288Cb -0.11 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 3khl s ALA 1288CO 0.00 0.31 0.49 0.08 0.00 0.00 0.00 175.76 176.64 3khl s VAL 1289N 0.17 5.12 0.92 0.00 1.01 -0.09 -1.20 120.40 126.33 3khl s VAL 1289Ca -0.12 0.88 -0.14 0.00 0.00 0.00 0.00 61.98 62.60 3khl s VAL 1289Cb -0.16 -3.81 0.15 0.00 0.00 0.00 0.00 36.38 32.56 3khl s VAL 1289CO 0.06 0.18 1.21 0.42 0.00 0.00 0.00 175.10 176.97 3khl s THR 1290N 1.67 1.97 0.27 3.92 -4.23 0.49 0.46 115.64 120.18 3khl s THR 1290Ca 0.22 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.73 3khl s THR 1290Cb -0.15 -2.90 0.25 0.00 1.34 0.00 0.00 72.50 71.04 3khl s THR 1290CO 0.09 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 175.62 3khl h GLU 1291N -1.48 0.68 -0.95 3.99 5.08 -0.86 -0.91 114.58 120.14 3khl h GLU 1291Ca -0.46 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 57.64 3khl h GLU 1291Cb 1.30 -0.15 -0.13 0.00 0.50 0.00 0.00 28.75 30.26 3khl h GLU 1291CO 0.53 0.45 0.27 -0.40 -1.00 0.00 0.00 179.01 178.86 3khl n ASP 1292N -4.82 3.44 -0.87 1.42 3.85 -1.26 -4.88 116.55 113.43 3khl n ASP 1292Ca 0.18 -2.78 -0.11 0.00 -0.71 0.00 0.00 54.79 51.37 3khl n ASP 1292Cb 0.43 -0.66 -0.05 0.00 -1.35 0.00 0.00 41.12 39.49 3khl n ASP 1292CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3khl n LEU 1293N -0.21 -0.37 -4.77 -2.12 4.32 -0.34 -4.98 117.00 108.52 3khl n LEU 1293Ca 0.28 0.28 -0.37 0.00 -0.02 0.00 0.00 56.01 56.18 3khl n LEU 1293Cb 1.04 -2.69 -0.01 0.00 -1.62 0.00 0.00 43.42 40.14 3khl n LEU 1293CO 0.29 -1.05 0.84 -0.62 -1.22 0.00 0.00 177.39 175.63 3khl s ASP 1294N -2.41 6.11 -0.23 -1.43 2.15 -1.26 -4.77 116.67 114.84 3khl s ASP 1294Ca 0.00 2.34 -0.06 0.00 0.43 0.00 0.00 52.55 55.26 3khl s ASP 1294Cb 0.00 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.99 3khl s ASP 1294CO 0.00 -0.96 0.02 -0.63 -0.17 0.00 0.00 175.17 173.43 3khl s ILE 1295N -1.53 3.95 -0.01 4.11 1.01 -1.26 -0.38 121.20 127.09 3khl s ILE 1295Ca 0.64 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 61.04 3khl s ILE 1295Cb -0.29 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 3khl s ILE 1295CO 0.36 0.39 -0.16 -0.69 0.00 0.00 0.00 174.94 174.84 3khl s VAL 1296N 1.37 1.23 0.06 2.92 1.01 -0.34 -5.02 120.40 121.64 3khl s VAL 1296Ca 0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3khl s VAL 1296Cb -0.15 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3khl s VAL 1296CO 0.01 0.31 0.01 -0.94 0.00 0.00 0.00 175.10 174.49 3khl s SER 1297N -0.47 0.42 -0.04 3.32 1.04 -1.26 -0.93 113.70 115.78 3khl s SER 1297Ca 0.06 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 55.48 3khl s SER 1297Cb -0.06 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.30 3khl s SER 1297CO -0.00 -0.63 0.13 -0.13 0.98 0.00 0.00 173.24 173.58 3khl s ARG 1298N -3.92 0.19 0.22 4.02 1.81 -0.86 -4.99 118.95 115.42 3khl s ARG 1298Ca 0.08 0.10 -0.00 0.00 -1.72 0.00 0.00 55.73 54.18 3khl s ARG 1298Cb 0.07 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.62 3khl s ARG 1298CO -0.09 -0.03 0.13 0.20 -0.68 0.00 0.00 175.30 174.83 3khl s GLY 1299N -0.13 1.54 -0.05 -3.53 0.00 -1.26 -0.01 107.32 103.88 3khl s GLY 1299Ca -0.02 -1.75 -0.05 0.00 0.00 0.00 0.00 44.72 42.90 3khl s GLY 1299CO 0.00 -1.45 0.13 -1.60 0.00 0.00 0.00 173.10 170.18 3khl s ARG 1300N -4.11 0.17 -0.05 2.90 3.52 0.21 -4.98 118.95 116.62 3khl s ARG 1300Ca 0.39 0.15 0.04 0.00 -0.13 0.00 0.00 55.73 56.18 3khl s ARG 1300Cb 0.07 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.52 3khl s ARG 1300CO 0.13 -0.02 -0.16 0.99 -0.81 0.00 0.00 175.30 175.43 3khl s THR 1301N -0.01 2.91 0.23 4.11 2.01 -1.26 -1.56 115.64 122.07 3khl s THR 1301Ca -0.01 -0.78 0.09 0.00 0.31 0.00 0.00 61.69 61.31 3khl s THR 1301Cb -0.01 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 3khl s THR 1301CO 0.00 0.59 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.10 3khl s PHE 1302N -0.63 2.65 -2.00 4.92 0.40 0.42 -5.00 117.98 118.73 3khl s PHE 1302Ca 0.09 -0.23 0.26 0.00 -0.60 0.00 0.00 56.93 56.46 3khl s PHE 1302Cb -0.11 -1.22 1.56 0.00 0.51 0.00 0.00 43.02 43.75 3khl s PHE 1302CO 0.01 0.58 1.92 -0.35 0.70 0.00 0.00 175.22 178.08 3khl n PRO 1303N -0.47 0.83 -4.15 0.24 -0.04 -1.26 -4.82 135.00 125.33 3khl n PRO 1303Ca -0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.27 3khl n PRO 1303Cb 0.57 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 3khl n PRO 1303CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3khl s HIS 1304N -2.00 0.97 0.77 0.54 -3.43 -1.26 -5.13 115.29 105.75 3khl s HIS 1304Ca 0.39 -1.23 -0.14 0.00 -0.80 0.00 0.00 55.06 53.28 3khl s HIS 1304Cb 0.18 -0.39 0.06 0.00 -1.43 0.00 0.00 32.58 31.00 3khl s HIS 1304CO 0.30 -0.72 1.22 0.20 -2.00 0.00 0.00 174.74 173.74 3khl s GLY 1305N -3.12 2.28 -0.31 -1.38 0.00 -1.26 -4.53 107.32 99.00 3khl s GLY 1305Ca 0.35 0.90 -0.07 0.00 0.00 0.00 0.00 44.72 45.89 3khl s GLY 1305CO 0.11 1.32 0.10 -0.42 0.00 0.00 0.00 173.10 174.20 3khl s ILE 1306N -2.02 4.05 0.88 0.90 1.01 0.64 -4.95 121.20 121.71 3khl s ILE 1306Ca 0.75 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 3khl s ILE 1306Cb -0.30 -3.12 0.12 0.00 0.01 0.00 0.00 42.46 39.17 3khl s ILE 1306CO 0.48 0.03 1.11 -0.94 0.00 0.00 0.00 174.94 175.62 3khl s SER 1307N 1.50 3.68 0.28 3.58 1.04 -1.26 -4.65 113.70 117.88 3khl s SER 1307Ca 0.02 1.22 -0.00 0.00 0.48 0.00 0.00 55.95 57.67 3khl s SER 1307Cb -0.18 -1.88 0.49 0.00 0.10 0.00 0.00 66.02 64.55 3khl s SER 1307CO 0.03 -2.47 1.89 0.50 0.98 0.00 0.00 173.24 174.17 3khl h LYS 1308N -1.44 1.05 0.70 4.02 3.64 -1.99 -1.50 116.57 121.06 3khl h LYS 1308Ca -0.50 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.79 3khl h LYS 1308Cb 1.30 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3khl h LYS 1308CO 0.59 0.70 -0.40 0.93 -2.27 0.00 0.00 179.45 178.99 3khl h GLU 1309N 1.08 -0.99 -0.88 1.90 3.07 -2.01 -1.83 114.58 114.92 3khl h GLU 1309Ca 0.43 0.07 0.16 0.00 -0.50 0.00 0.00 59.36 59.52 3khl h GLU 1309Cb 0.24 0.23 -0.10 0.00 -0.84 0.00 0.00 28.75 28.27 3khl h GLU 1309CO -0.18 -0.66 0.47 1.15 -1.40 0.00 0.00 179.01 178.39 3khl h THR 1310N -1.03 0.70 -0.59 1.13 2.02 -1.91 -2.23 112.91 111.00 3khl h THR 1310Ca -0.09 -0.21 0.06 0.00 0.77 0.00 0.00 66.41 66.94 3khl h THR 1310Cb 0.82 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 3khl h THR 1310CO 0.11 0.11 0.29 0.00 0.37 0.00 0.00 175.52 176.40 3khl h ALA 1311N 1.59 0.77 0.42 6.16 0.00 -0.64 0.26 119.26 127.83 3khl h ALA 1311Ca 0.50 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 3khl h ALA 1311Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3khl h ALA 1311CO -0.38 -0.08 -0.41 1.88 0.00 0.00 0.00 179.25 180.26 3khl h TYR 1312N 0.53 -1.13 -0.14 0.00 0.05 -0.73 0.25 116.97 115.81 3khl h TYR 1312Ca 0.27 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.98 3khl h TYR 1312Cb 0.23 0.44 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 3khl h TYR 1312CO -0.11 -0.55 -0.28 0.66 -1.05 0.00 0.00 178.16 176.83 3khl h SER 1313N -0.83 0.26 -0.34 3.88 4.64 -1.35 -2.65 113.55 117.17 3khl h SER 1313Ca -0.05 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.02 3khl h SER 1313Cb 0.71 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3khl h SER 1313CO -0.04 0.54 -0.41 -0.08 -0.87 0.00 0.00 176.83 175.97 3khl h GLU 1314N 0.23 0.90 -0.63 4.77 4.57 -0.36 -3.13 114.58 120.94 3khl h GLU 1314Ca 0.03 -0.49 -0.03 0.00 -1.18 0.00 0.00 59.36 57.69 3khl h GLU 1314Cb 0.62 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 3khl h GLU 1314CO 0.05 1.14 0.27 0.66 -1.18 0.00 0.00 179.01 179.94 3khl h SER 1315N 0.73 0.83 -0.44 1.04 4.64 -0.60 -2.75 113.55 117.01 3khl h SER 1315Ca 0.05 -0.10 0.05 0.00 -0.47 0.00 0.00 61.79 61.32 3khl h SER 1315Cb 1.01 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.84 3khl h SER 1315CO 0.10 0.74 0.17 0.58 -0.87 0.00 0.00 176.83 177.55 3khl h VAL 1316N 0.91 0.89 -0.27 0.95 2.07 -1.44 -0.47 116.25 118.88 3khl h VAL 1316Ca 0.22 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.50 3khl h VAL 1316Cb 0.15 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3khl h VAL 1316CO -0.02 0.07 -0.30 0.11 0.02 0.00 0.00 177.57 177.44 3khl h LYS 1317N 0.36 0.56 -0.44 1.57 1.57 -1.53 0.13 116.57 118.79 3khl h LYS 1317Ca 0.20 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 3khl h LYS 1317Cb 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3khl h LYS 1317CO -0.19 0.80 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.25 3khl h LEU 1318N 0.49 0.91 -0.71 2.94 3.38 -1.19 -0.81 115.31 120.30 3khl h LEU 1318Ca 0.06 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3khl h LEU 1318Cb 0.76 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3khl h LEU 1318CO 0.06 1.09 0.28 0.25 0.09 0.00 0.00 178.44 180.21 3khl h LEU 1319N 0.72 0.99 -1.38 1.67 5.85 -0.75 -2.27 115.31 120.14 3khl h LEU 1319Ca 0.10 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3khl h LEU 1319Cb 0.73 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3khl h LEU 1319CO 0.06 0.90 0.37 1.56 -0.34 0.00 0.00 178.44 180.99 3khl h GLN 1320N 1.03 0.79 -0.46 1.25 4.20 -0.41 0.40 115.11 121.90 3khl h GLN 1320Ca 0.24 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.77 3khl h GLN 1320Cb 0.22 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3khl h GLN 1320CO -0.02 0.54 -0.18 -0.22 -0.67 0.00 0.00 178.83 178.28 3khl h LYS 1321N 0.81 0.90 0.03 1.46 3.64 -0.83 -1.48 116.57 121.09 3khl h LYS 1321Ca 0.21 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3khl h LYS 1321Cb -0.06 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3khl h LYS 1321CO -0.04 1.00 -0.02 0.82 -2.27 0.00 0.00 179.45 178.94 3khl h ILE 1322N 0.79 1.14 -0.86 2.00 2.04 -0.76 -1.65 117.51 120.21 3khl h ILE 1322Ca 0.11 -0.55 0.18 0.00 1.00 0.00 0.00 64.86 65.60 3khl h ILE 1322Cb 0.72 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 3khl h ILE 1322CO 0.06 0.14 0.57 -0.07 0.00 0.00 0.00 178.15 178.84 3khl h LEU 1323N -0.29 0.44 0.00 1.44 4.07 -0.81 -0.90 115.31 119.26 3khl h LEU 1323Ca -0.00 0.04 -0.16 0.00 0.08 0.00 0.00 57.88 57.84 3khl h LEU 1323Cb 0.26 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 3khl h LEU 1323CO 0.01 0.20 -1.22 -0.33 -1.08 0.00 0.00 178.44 176.02 3khl h GLU 1324N 0.45 0.00 -0.02 1.13 5.08 -1.11 -3.36 114.58 116.75 3khl h GLU 1324Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3khl h GLU 1324Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3khl h GLU 1324CO -0.17 0.35 -0.34 0.39 -1.00 0.00 0.00 179.01 178.24 3khl n GLU 1325N -2.97 1.45 -3.73 2.33 1.02 -0.63 -4.87 120.64 113.23 3khl n GLU 1325Ca -0.07 -1.17 -0.15 0.00 -0.02 0.00 0.00 57.16 55.76 3khl n GLU 1325Cb 0.82 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.61 3khl n GLU 1325CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3khl s ASP 1326N -2.36 0.11 0.05 1.62 -1.08 -0.38 -5.06 116.67 109.57 3khl s ASP 1326Ca 0.22 0.27 0.24 0.00 -0.52 0.00 0.00 52.55 52.76 3khl s ASP 1326Cb 0.19 0.16 0.33 0.00 -1.46 0.00 0.00 42.92 42.14 3khl s ASP 1326CO 0.50 -0.17 1.29 -0.62 0.52 0.00 0.00 175.17 176.69 3khl n GLU 1327N 4.44 0.15 -1.60 4.34 4.71 -1.26 -4.54 120.64 126.89 3khl n GLU 1327Ca -0.22 0.03 -0.32 0.00 -0.01 0.00 0.00 57.16 56.64 3khl n GLU 1327Cb 0.51 -1.58 0.06 0.00 -1.01 0.00 0.00 31.44 29.42 3khl n GLU 1327CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3khl s ARG 1328N -3.09 2.70 0.47 3.49 0.52 -1.26 -5.03 118.95 116.75 3khl s ARG 1328Ca 0.08 1.23 -0.20 0.00 -0.52 0.00 0.00 55.73 56.32 3khl s ARG 1328Cb 0.15 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.58 3khl s ARG 1328CO 0.73 -1.31 0.99 0.15 0.02 0.00 0.00 175.30 175.89 3khl s LYS 1329N -4.50 3.97 -0.12 3.54 1.02 -1.26 -4.90 119.74 117.49 3khl s LYS 1329Ca 0.63 1.19 -0.09 0.00 0.02 0.00 0.00 55.97 57.72 3khl s LYS 1329Cb -0.18 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 3khl s LYS 1329CO 0.48 -0.26 0.19 0.42 -0.92 0.00 0.00 175.35 175.26 3khl s ILE 1330N -2.18 5.40 -0.21 2.17 1.01 0.60 -0.15 121.20 127.84 3khl s ILE 1330Ca 0.64 0.33 -0.07 0.00 0.00 0.00 0.00 60.65 61.55 3khl s ILE 1330Cb -0.12 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 38.76 3khl s ILE 1330CO 0.19 0.55 -0.25 -1.14 0.00 0.00 0.00 174.94 174.30 3khl n ARG 1331N 2.43 0.46 -4.15 2.79 0.63 0.17 -1.75 116.66 117.25 3khl n ARG 1331Ca -0.17 0.17 -0.16 0.00 -0.92 0.00 0.00 57.85 56.76 3khl n ARG 1331Cb 0.54 -1.29 -0.12 0.00 0.45 0.00 0.00 32.46 32.04 3khl n ARG 1331CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3khl s ARG 1332N -2.39 0.71 -0.01 -0.14 0.52 -1.08 -2.18 118.95 114.39 3khl s ARG 1332Ca -0.29 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 3khl s ARG 1332Cb 0.10 -0.63 0.00 0.00 0.52 0.00 0.00 34.95 34.94 3khl s ARG 1332CO 0.39 0.14 -0.04 -1.50 0.02 0.00 0.00 175.30 174.32 3khl s ILE 1333N -1.25 0.31 0.27 1.52 1.10 -0.60 -0.91 121.20 121.64 3khl s ILE 1333Ca -0.05 -0.13 -0.05 0.00 -0.51 0.00 0.00 60.65 59.91 3khl s ILE 1333Cb -0.10 -0.29 0.02 0.00 0.15 0.00 0.00 42.46 42.24 3khl s ILE 1333CO 0.01 0.11 0.44 0.61 -2.11 0.00 0.00 174.94 174.00 3khl n GLY 1334N 3.21 1.94 3.23 1.50 0.00 0.02 -1.44 105.19 113.65 3khl n GLY 1334Ca -0.16 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 3khl n GLY 1334CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khl s VAL 1335N -2.57 0.06 -0.01 1.61 0.11 -0.32 -0.61 120.40 118.67 3khl s VAL 1335Ca 0.17 -0.54 -0.03 0.00 -2.93 0.00 0.00 61.98 58.66 3khl s VAL 1335Cb -0.02 -0.67 -0.00 0.00 -1.53 0.00 0.00 36.38 34.16 3khl s VAL 1335CO 0.13 -0.29 0.06 -0.60 -3.33 0.00 0.00 175.10 171.06 3khl s ARG 1336N -1.58 0.24 -0.01 1.54 3.52 -0.19 -1.49 118.95 120.98 3khl s ARG 1336Ca -0.12 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.31 3khl s ARG 1336Cb -0.04 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.41 3khl s ARG 1336CO 0.03 -0.04 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.37 3khl s PHE 1337N -0.67 2.96 0.16 5.12 0.08 0.07 -1.39 117.98 124.30 3khl s PHE 1337Ca -0.07 0.01 -0.03 0.00 0.12 0.00 0.00 56.93 56.96 3khl s PHE 1337Cb -0.05 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 3khl s PHE 1337CO 0.00 0.40 0.26 -1.13 -0.10 0.00 0.00 175.22 174.65 3khl n SER 1338N 1.62 -0.75 -3.34 1.36 3.41 -0.79 -1.25 113.62 113.89 3khl n SER 1338Ca -0.16 -1.74 -0.13 0.00 -0.26 0.00 0.00 58.87 56.59 3khl n SER 1338Cb 0.53 1.31 0.02 0.00 -0.26 0.00 0.00 64.21 65.81 3khl n SER 1338CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3khl n LYS 1339N -0.24 -1.49 -2.68 4.33 5.02 -1.25 -2.01 118.16 119.85 3khl n LYS 1339Ca -0.01 1.07 -0.34 0.00 -2.02 0.00 0.00 58.31 57.00 3khl n LYS 1339Cb 0.25 -4.85 -0.05 0.00 -0.02 0.00 0.00 35.03 30.35 3khl n LYS 1339CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3khl s PHE 1340N -3.15 3.24 -2.00 2.13 0.08 -1.26 -1.00 117.98 116.02 3khl s PHE 1340Ca 0.16 1.62 0.12 0.00 0.12 0.00 0.00 56.93 58.96 3khl s PHE 1340Cb -0.04 -2.97 0.72 0.00 -0.57 0.00 0.00 43.02 40.16 3khl s PHE 1340CO 0.80 -0.39 1.15 -0.89 -0.10 0.00 0.00 175.22 175.78