#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khh s ILE 1002N 0.00 0.26 -0.10 -0.61 1.01 -1.26 -4.35 121.20 116.14 3khh s ILE 1002Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3khh s ILE 1002Cb 0.00 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 3khh s ILE 1002CO 0.00 0.23 -0.11 -0.69 0.00 0.00 0.00 174.94 174.37 3khh s VAL 1003N 1.86 3.28 -0.32 2.92 1.01 0.85 -1.76 120.40 128.24 3khh s VAL 1003Ca 0.03 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3khh s VAL 1003Cb -0.12 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 33.94 3khh s VAL 1003CO -0.04 0.55 0.06 -0.22 0.00 0.00 0.00 175.10 175.45 3khh s LEU 1004N -0.11 4.10 -0.22 3.92 0.20 0.46 -1.90 118.68 125.14 3khh s LEU 1004Ca -0.01 -1.16 -0.09 0.00 0.69 0.00 0.00 54.13 53.56 3khh s LEU 1004Cb -0.14 -1.80 -0.05 0.00 -0.43 0.00 0.00 46.19 43.77 3khh s LEU 1004CO 0.03 -0.29 0.12 0.12 -0.29 0.00 0.00 176.35 176.04 3khh s PHE 1005N 1.35 3.30 -0.15 5.38 5.36 0.71 -0.55 117.98 133.38 3khh s PHE 1005Ca -0.03 0.16 -0.03 0.00 -0.96 0.00 0.00 56.93 56.07 3khh s PHE 1005Cb -0.19 -2.19 -0.03 0.00 -0.34 0.00 0.00 43.02 40.27 3khh s PHE 1005CO 0.01 0.11 -0.04 0.08 -1.46 0.00 0.00 175.22 173.92 3khh s VAL 1006N 0.77 3.87 -0.09 3.12 1.01 0.18 -0.70 120.40 128.55 3khh s VAL 1006Ca 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3khh s VAL 1006Cb -0.13 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.58 3khh s VAL 1006CO 0.02 0.50 -0.09 -0.62 0.00 0.00 0.00 175.10 174.91 3khh s ASP 1007N 0.31 1.97 0.07 3.32 -1.08 0.28 -1.44 116.67 120.11 3khh s ASP 1007Ca -0.04 -0.29 -0.30 0.00 -0.52 0.00 0.00 52.55 51.40 3khh s ASP 1007Cb -0.14 -0.81 -0.05 0.00 -1.46 0.00 0.00 42.92 40.46 3khh s ASP 1007CO 0.03 -0.06 1.00 -0.36 0.52 0.00 0.00 175.17 176.29 3khh s PHE 1008N 1.31 3.71 0.25 -5.34 0.08 -0.12 -0.02 117.98 117.85 3khh s PHE 1008Ca -0.03 1.71 -0.30 0.00 0.12 0.00 0.00 56.93 58.43 3khh s PHE 1008Cb -0.14 -3.13 -0.09 0.00 -0.57 0.00 0.00 43.02 39.09 3khh s PHE 1008CO -0.04 -0.06 1.08 -0.51 -0.10 0.00 0.00 175.22 175.59 3khh s ASP 1009N 0.46 7.31 -0.21 1.36 1.01 -0.88 -4.08 116.67 121.64 3khh s ASP 1009Ca 0.50 2.19 -0.06 0.00 0.71 0.00 0.00 52.55 55.90 3khh s ASP 1009Cb -0.23 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.08 3khh s ASP 1009CO 0.30 -0.13 0.12 0.00 0.21 0.00 0.00 175.17 175.67 3khh n TYR 1010N 1.50 -0.27 0.26 4.23 0.18 -1.26 -4.57 117.16 117.23 3khh n TYR 1010Ca -0.00 0.03 -0.16 0.00 1.88 0.00 0.00 57.90 59.64 3khh n TYR 1010Cb 0.45 -0.50 -0.08 0.00 -0.38 0.00 0.00 39.34 38.83 3khh n TYR 1010CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3khh h PHE 1011N 1.89 -0.98 -0.39 -3.48 3.57 -1.94 0.39 116.94 116.00 3khh h PHE 1011Ca -0.13 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 3khh h PHE 1011Cb 0.26 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3khh h PHE 1011CO 0.06 -0.52 0.24 1.88 -2.23 0.00 0.00 178.31 177.74 3khh h TYR 1012N -0.80 0.50 -0.33 0.41 0.05 -1.95 -0.30 116.97 114.55 3khh h TYR 1012Ca -0.04 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 3khh h TYR 1012Cb 0.69 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3khh h TYR 1012CO -0.18 0.35 -0.07 0.00 -1.05 0.00 0.00 178.16 177.21 3khh h ALA 1013N 1.12 1.27 -0.07 3.88 0.00 -1.79 -2.30 119.26 121.37 3khh h ALA 1013Ca 0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3khh h ALA 1013Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3khh h ALA 1013CO -0.03 0.49 -0.39 0.37 0.00 0.00 0.00 179.25 179.69 3khh h GLN 1014N 0.51 0.15 -0.43 0.00 4.15 -0.28 -2.66 115.11 116.55 3khh h GLN 1014Ca 0.10 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 3khh h GLN 1014Cb 0.43 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 3khh h GLN 1014CO 0.02 0.52 0.12 0.28 -1.93 0.00 0.00 178.83 177.84 3khh h VAL 1015N 0.13 1.23 -0.74 2.39 2.07 -0.53 -2.33 116.25 118.46 3khh h VAL 1015Ca 0.01 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.84 3khh h VAL 1015Cb 0.75 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 3khh h VAL 1015CO 0.06 0.27 0.42 -0.33 0.02 0.00 0.00 177.57 178.00 3khh h GLU 1016N 0.55 0.72 -0.98 1.57 4.39 -1.30 -0.25 114.58 119.28 3khh h GLU 1016Ca 0.14 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.84 3khh h GLU 1016Cb 0.29 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 3khh h GLU 1016CO -0.00 0.48 0.64 0.93 -1.16 0.00 0.00 179.01 179.89 3khh h GLU 1017N 0.74 1.16 -0.52 2.33 5.08 -1.28 0.32 114.58 122.41 3khh h GLU 1017Ca 0.34 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 3khh h GLU 1017Cb 0.25 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3khh h GLU 1017CO -0.21 0.76 -0.03 0.28 -1.00 0.00 0.00 179.01 178.81 3khh h VAL 1018N 1.19 1.26 0.00 3.13 2.07 -0.60 -1.80 116.25 121.50 3khh h VAL 1018Ca 0.41 -1.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 3khh h VAL 1018Cb 0.09 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3khh h VAL 1018CO -0.14 0.40 -0.55 -0.07 0.02 0.00 0.00 177.57 177.23 3khh h LEU 1019N 0.83 0.00 -6.59 2.57 4.07 -0.30 -3.38 115.31 112.50 3khh h LEU 1019Ca 0.15 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.53 3khh h LEU 1019Cb 0.54 0.00 -0.39 0.00 1.08 0.00 0.00 40.66 41.89 3khh h LEU 1019CO 0.03 0.55 -0.85 0.21 -1.08 0.00 0.00 178.44 177.29 3khh s ASN 1020N -6.53 2.88 0.00 -0.43 3.04 0.11 -5.02 114.94 108.99 3khh s ASN 1020Ca 0.01 -2.28 0.10 0.00 0.04 0.00 0.00 52.86 50.73 3khh s ASN 1020Cb 0.10 -0.44 0.59 0.00 -1.54 0.00 0.00 41.25 39.96 3khh s ASN 1020CO 0.74 -0.30 1.01 -2.65 -3.04 0.00 0.00 177.10 172.86 3khh n PRO 1021N 3.92 0.35 0.21 0.43 -0.02 -0.69 -1.90 135.00 137.30 3khh n PRO 1021Ca 0.13 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 3khh n PRO 1021Cb 0.38 -1.44 0.26 0.00 -0.02 0.00 0.00 33.50 32.67 3khh n PRO 1021CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3khh h SER 1022N 0.00 0.00 1.28 2.55 0.02 -1.94 -3.09 113.55 112.37 3khh h SER 1022Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3khh h SER 1022Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3khh h SER 1022CO 0.00 0.00 0.00 -0.07 -1.14 0.00 0.00 176.83 175.62 3khh h LEU 1023N 0.00 0.00 -9.55 5.07 4.07 -1.69 -3.46 115.31 109.75 3khh h LEU 1023Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 3khh h LEU 1023Cb 0.91 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.68 3khh h LEU 1023CO 0.00 0.00 0.89 -0.75 -1.08 0.00 0.00 178.44 177.50 3khh s LYS 1024N -3.32 4.23 -0.34 1.13 2.47 -1.17 -1.43 119.74 121.31 3khh s LYS 1024Ca 0.06 2.30 0.00 0.00 -1.56 0.00 0.00 55.97 56.77 3khh s LYS 1024Cb 0.09 -3.31 0.00 0.00 -1.46 0.00 0.00 37.83 33.15 3khh s LYS 1024CO 0.54 -0.62 0.00 0.41 0.16 0.00 0.00 175.35 175.84 3khh n GLY 1025N 3.79 0.59 3.21 5.54 0.00 -1.26 -5.05 105.19 112.01 3khh n GLY 1025Ca 0.14 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 3khh n GLY 1025CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khh s LYS 1026N -2.45 0.95 0.07 1.61 -0.14 -0.52 -5.09 119.74 114.18 3khh s LYS 1026Ca 0.00 -1.25 -0.31 0.00 -1.36 0.00 0.00 55.97 53.05 3khh s LYS 1026Cb 0.00 -0.67 -0.09 0.00 -1.68 0.00 0.00 37.83 35.39 3khh s LYS 1026CO 0.00 0.11 1.81 -2.14 -0.76 0.00 0.00 175.35 174.37 3khh s PRO 1027N -2.97 4.16 -0.10 -1.68 0.02 -1.26 -4.76 135.00 128.40 3khh s PRO 1027Ca 0.09 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 63.61 3khh s PRO 1027Cb -0.02 -3.77 0.03 0.00 0.02 0.00 0.00 34.50 30.75 3khh s PRO 1027CO 0.01 -0.85 -0.04 0.08 -0.33 0.00 0.00 177.00 175.88 3khh s VAL 1028N 3.26 0.73 -0.12 3.83 1.01 -1.26 -1.63 120.40 126.21 3khh s VAL 1028Ca 0.81 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3khh s VAL 1028Cb -0.43 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.15 3khh s VAL 1028CO 0.36 0.31 -0.11 -0.69 0.00 0.00 0.00 175.10 174.97 3khh s VAL 1029N 1.83 1.25 -0.19 2.92 1.01 0.11 -1.38 120.40 125.94 3khh s VAL 1029Ca 0.05 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 3khh s VAL 1029Cb -0.13 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3khh s VAL 1029CO -0.07 0.40 0.20 -0.69 0.00 0.00 0.00 175.10 174.94 3khh s VAL 1030N 1.47 5.36 0.07 2.92 1.01 0.54 -0.31 120.40 131.47 3khh s VAL 1030Ca 0.02 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.36 3khh s VAL 1030Cb -0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3khh s VAL 1030CO -0.07 0.41 -0.10 0.00 0.00 0.00 0.00 175.10 175.34 3khh s VAL 1032N -1.92 5.03 -0.34 0.00 1.01 -0.31 -1.49 120.40 122.40 3khh s VAL 1032Ca -0.01 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 3khh s VAL 1032Cb -0.06 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.44 3khh s VAL 1032CO 0.00 -0.39 0.80 -0.36 0.00 0.00 0.00 175.10 175.15 3khh s PHE 1033N 1.62 3.15 -0.19 5.22 0.08 -1.26 -2.41 117.98 124.20 3khh s PHE 1033Ca 0.04 0.70 0.18 0.00 0.12 0.00 0.00 56.93 57.97 3khh s PHE 1033Cb -0.21 -3.34 -0.00 0.00 -0.57 0.00 0.00 43.02 38.90 3khh s PHE 1033CO 0.08 -0.66 1.12 0.66 -0.10 0.00 0.00 175.22 176.31 3khh h SER 1034N 8.31 0.00 -0.05 1.36 4.64 -1.54 -3.48 113.55 122.78 3khh h SER 1034Ca -0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 3khh h SER 1034Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3khh h SER 1034CO 0.90 0.37 -0.02 0.61 -0.87 0.00 0.00 176.83 177.82 3khh n GLY 1035N 1.27 0.50 0.24 -0.77 0.00 -1.26 -4.32 105.19 100.86 3khh n GLY 1035Ca -0.03 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 3khh n GLY 1035CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3khh h ARG 1036N 0.52 0.80 -3.93 1.61 3.08 -1.84 -3.45 114.38 111.17 3khh h ARG 1036Ca -0.02 -0.47 -0.24 0.00 0.07 0.00 0.00 59.98 59.32 3khh h ARG 1036Cb 0.16 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 3khh h ARG 1036CO 0.03 1.10 -0.10 -0.59 -1.07 0.00 0.00 179.97 179.34 3khh s PHE 1037N -4.19 0.92 -0.16 3.04 -0.12 -1.26 -4.96 117.98 111.24 3khh s PHE 1037Ca -0.10 -1.22 -0.32 0.00 -0.05 0.00 0.00 56.93 55.24 3khh s PHE 1037Cb 0.11 0.08 -0.10 0.00 -0.63 0.00 0.00 43.02 42.48 3khh s PHE 1037CO 0.87 -1.23 2.04 -1.91 -0.05 0.00 0.00 175.22 174.94 3khh n GLU 1038N -0.57 1.98 -1.08 1.99 4.07 -1.26 -1.79 120.64 123.98 3khh n GLU 1038Ca -0.01 0.66 -0.03 0.00 -0.06 0.00 0.00 57.16 57.72 3khh n GLU 1038Cb 0.61 -2.79 -0.01 0.00 -0.06 0.00 0.00 31.44 29.19 3khh n GLU 1038CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3khh n ASP 1039N 8.64 -3.88 -4.77 4.31 8.00 -1.26 -5.01 116.55 122.58 3khh n ASP 1039Ca 0.28 0.07 -0.40 0.00 0.71 0.00 0.00 54.79 55.44 3khh n ASP 1039Cb 0.33 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 3khh n ASP 1039CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3khh s SER 1040N -2.38 6.26 0.00 -2.24 1.04 -0.74 -3.98 113.70 111.66 3khh s SER 1040Ca 0.00 2.83 0.00 0.00 0.48 0.00 0.00 55.95 59.26 3khh s SER 1040Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3khh s SER 1040CO 0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3khh n GLY 1041N 0.61 0.70 3.29 7.32 0.00 -1.26 -1.30 105.19 114.55 3khh n GLY 1041Ca 0.03 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 3khh n GLY 1041CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khh s ALA 1042N -1.49 0.08 0.04 4.61 0.00 -1.01 -1.86 121.76 122.13 3khh s ALA 1042Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 3khh s ALA 1042Cb 0.00 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 3khh s ALA 1042CO 0.00 -0.60 1.27 0.08 0.00 0.00 0.00 175.76 176.52 3khh s VAL 1043N -3.96 3.88 -0.20 0.00 1.01 -0.27 -1.16 120.40 119.71 3khh s VAL 1043Ca 0.16 1.31 -0.20 0.00 0.00 0.00 0.00 61.98 63.25 3khh s VAL 1043Cb 0.04 -3.84 -0.17 0.00 0.00 0.00 0.00 36.38 32.40 3khh s VAL 1043CO -0.02 0.06 0.20 0.00 0.00 0.00 0.00 175.10 175.34 3khh h ALA 1044N 7.13 0.22 -2.48 5.51 0.00 -1.40 0.29 119.26 128.54 3khh h ALA 1044Ca -0.40 -1.07 -0.10 0.00 0.00 0.00 0.00 54.91 53.34 3khh h ALA 1044Cb 1.20 0.66 -0.22 0.00 0.00 0.00 0.00 17.79 19.43 3khh h ALA 1044CO 0.85 0.63 -0.14 -0.08 0.00 0.00 0.00 179.25 180.51 3khh s THR 1045N -2.33 0.02 0.06 0.00 -1.32 -0.99 -4.42 115.64 106.66 3khh s THR 1045Ca -0.26 -0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.14 3khh s THR 1045Cb 0.05 -0.70 -0.03 0.00 -1.51 0.00 0.00 72.50 70.31 3khh s THR 1045CO 0.55 -0.07 -0.17 0.00 -2.21 0.00 0.00 174.62 172.72 3khh s ALA 1046N -0.41 1.41 0.85 11.08 0.00 -1.26 -0.34 121.76 133.09 3khh s ALA 1046Ca -0.05 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 3khh s ALA 1046Cb -0.03 -0.20 0.10 0.00 0.00 0.00 0.00 23.12 22.99 3khh s ALA 1046CO 0.03 0.27 1.15 0.54 0.00 0.00 0.00 175.76 177.75 3khh s ASN 1047N -1.48 4.08 0.50 0.00 2.20 -0.48 -4.78 114.94 114.98 3khh s ASN 1047Ca 0.03 0.92 0.24 0.00 -0.94 0.00 0.00 52.86 53.10 3khh s ASN 1047Cb -0.09 -1.48 1.32 0.00 -2.00 0.00 0.00 41.25 39.00 3khh s ASN 1047CO 0.02 -2.19 2.05 1.88 -2.94 0.00 0.00 177.10 175.92 3khh h TYR 1048N -1.25 0.00 -0.07 1.54 -1.99 -1.94 0.70 116.97 113.96 3khh h TYR 1048Ca -0.48 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.25 3khh h TYR 1048Cb 1.32 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.05 3khh h TYR 1048CO 0.32 0.14 0.04 0.93 -0.00 0.00 0.00 178.16 179.60 3khh h GLU 1049N 0.00 0.10 -0.40 4.88 3.07 -1.93 -1.67 114.58 118.63 3khh h GLU 1049Ca -0.00 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.73 3khh h GLU 1049Cb 0.33 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3khh h GLU 1049CO 0.02 0.12 -0.22 0.00 -1.40 0.00 0.00 179.01 177.52 3khh h ALA 1050N 0.98 0.85 -0.75 3.43 0.00 -1.54 -3.19 119.26 119.05 3khh h ALA 1050Ca 0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3khh h ALA 1050Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3khh h ALA 1050CO -0.00 0.64 0.26 0.00 0.00 0.00 0.00 179.25 180.15 3khh h ARG 1051N 0.70 1.14 -1.04 0.00 3.08 -0.79 -2.31 114.38 115.16 3khh h ARG 1051Ca 0.10 -0.22 0.28 0.00 0.07 0.00 0.00 59.98 60.20 3khh h ARG 1051Cb 0.74 -0.18 -0.12 0.00 0.08 0.00 0.00 29.97 30.50 3khh h ARG 1051CO 0.06 0.94 0.64 0.87 -1.07 0.00 0.00 179.97 181.42 3khh h LYS 1052N 1.10 0.42 -0.22 0.04 1.79 -1.29 0.45 116.57 118.87 3khh h LYS 1052Ca 0.25 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 3khh h LYS 1052Cb 0.26 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3khh h LYS 1052CO -0.01 0.28 0.00 1.19 -1.08 0.00 0.00 179.45 179.82 3khh n PHE 1053N -4.79 0.28 -0.03 -1.35 3.72 -0.88 -4.91 117.46 109.50 3khh n PHE 1053Ca 0.28 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 3khh n PHE 1053Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 3khh n PHE 1053CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khh n GLY 1054N 1.06 0.40 3.76 1.37 0.00 0.16 -4.95 105.19 106.99 3khh n GLY 1054Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3khh n GLY 1054CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3khh s VAL 1055N -2.07 3.86 0.19 1.61 -7.23 -1.15 -4.99 120.40 110.62 3khh s VAL 1055Ca 0.00 1.78 -0.18 0.00 -1.81 0.00 0.00 61.98 61.78 3khh s VAL 1055Cb 0.00 -4.10 0.03 0.00 0.56 0.00 0.00 36.38 32.87 3khh s VAL 1055CO 0.00 0.36 0.52 -1.59 -0.31 0.00 0.00 175.10 174.07 3khh s LYS 1056N -1.52 1.36 0.10 4.82 -2.85 -1.26 -4.00 119.74 116.39 3khh s LYS 1056Ca 0.45 -0.84 -0.34 0.00 -1.00 0.00 0.00 55.97 54.23 3khh s LYS 1056Cb -0.27 0.52 -0.14 0.00 -2.06 0.00 0.00 37.83 35.89 3khh s LYS 1056CO 0.33 -0.57 1.61 0.00 0.10 0.00 0.00 175.35 176.82 3khh n ALA 1057N -0.33 1.00 0.00 0.59 0.00 -1.26 -2.72 120.51 117.78 3khh n ALA 1057Ca -0.11 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3khh n ALA 1057Cb 0.63 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3khh n ALA 1057CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khh n GLY 1058N 3.52 1.95 3.78 0.00 0.00 0.10 -4.98 105.19 109.56 3khh n GLY 1058Ca 0.18 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 3khh n GLY 1058CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3khh s ILE 1059N -1.45 3.40 0.60 -0.61 -5.25 -1.10 -4.60 121.20 112.18 3khh s ILE 1059Ca 0.00 1.05 -0.20 0.00 -0.99 0.00 0.00 60.65 60.51 3khh s ILE 1059Cb 0.00 -3.53 -0.03 0.00 2.95 0.00 0.00 42.46 41.85 3khh s ILE 1059CO 0.00 -0.01 1.31 -2.84 -1.79 0.00 0.00 174.94 171.60 3khh s PRO 1060N -2.64 2.85 0.10 0.37 0.02 -1.26 -1.11 135.00 133.32 3khh s PRO 1060Ca 0.61 2.10 -0.21 0.00 0.02 0.00 0.00 61.00 63.53 3khh s PRO 1060Cb -0.25 -2.02 -0.10 0.00 0.02 0.00 0.00 34.50 32.14 3khh s PRO 1060CO 0.31 -1.38 1.72 0.82 -0.33 0.00 0.00 177.00 178.14 3khh h ILE 1061N 0.96 1.07 -0.15 2.83 2.04 -1.58 -2.20 117.51 120.48 3khh h ILE 1061Ca -0.51 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.22 3khh h ILE 1061Cb 1.32 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3khh h ILE 1061CO 0.55 0.06 0.10 -0.37 0.00 0.00 0.00 178.15 178.49 3khh h VAL 1062N 0.15 0.96 -0.11 1.67 -1.51 -1.85 -0.08 116.25 115.48 3khh h VAL 1062Ca 0.05 -0.02 -0.19 0.00 -1.23 0.00 0.00 66.70 65.30 3khh h VAL 1062Cb 0.03 0.89 -0.00 0.00 -2.13 0.00 0.00 31.29 30.08 3khh h VAL 1062CO -0.01 0.01 -0.73 -0.08 -1.23 0.00 0.00 177.57 175.53 3khh h GLU 1063N 0.06 0.52 -0.38 5.19 4.81 -1.84 -2.70 114.58 120.23 3khh h GLU 1063Ca 0.07 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 58.83 3khh h GLU 1063Cb 0.19 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3khh h GLU 1063CO -0.01 1.05 0.07 0.00 -0.73 0.00 0.00 179.01 179.39 3khh h ALA 1064N 0.83 0.51 -0.24 2.92 0.00 -0.44 -2.38 119.26 120.46 3khh h ALA 1064Ca -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3khh h ALA 1064Cb 1.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3khh h ALA 1064CO 0.13 0.22 0.06 0.87 0.00 0.00 0.00 179.25 180.53 3khh h LYS 1065N 0.48 0.34 0.00 0.00 1.79 -1.31 0.33 116.57 118.20 3khh h LYS 1065Ca 0.12 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.48 3khh h LYS 1065Cb 0.36 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3khh h LYS 1065CO 0.01 0.32 -0.31 0.87 -1.08 0.00 0.00 179.45 179.25 3khh h LYS 1066N 0.34 0.00 0.00 3.15 1.57 -1.21 -1.84 116.57 118.58 3khh h LYS 1066Ca 0.08 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 3khh h LYS 1066Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3khh h LYS 1066CO -0.00 0.31 -0.78 0.82 -0.57 0.00 0.00 179.45 179.23 3khh h ILE 1067N 0.00 1.16 -3.19 1.86 1.08 -0.71 -3.43 117.51 114.28 3khh h ILE 1067Ca -0.00 -2.16 -0.63 0.00 -0.39 0.00 0.00 64.86 61.68 3khh h ILE 1067Cb 0.89 2.48 -0.41 0.00 -3.07 0.00 0.00 36.82 36.71 3khh h ILE 1067CO 0.04 0.39 -0.64 -0.76 -0.69 0.00 0.00 178.15 176.49 3khh s LEU 1068N -8.02 4.12 0.34 1.44 1.43 0.10 -4.97 118.68 113.12 3khh s LEU 1068Ca -0.24 -3.22 0.08 0.00 -1.03 0.00 0.00 54.13 49.72 3khh s LEU 1068Cb 0.03 -1.50 0.61 0.00 0.03 0.00 0.00 46.19 45.35 3khh s LEU 1068CO 0.60 -0.19 1.80 1.55 0.23 0.00 0.00 176.35 180.34 3khh h PRO 1069N 6.15 0.23 -0.63 1.29 0.13 -1.55 -2.96 132.00 134.66 3khh h PRO 1069Ca 0.01 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3khh h PRO 1069Cb 0.85 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3khh h PRO 1069CO 0.66 0.50 0.00 0.09 -0.23 0.00 0.00 178.00 179.02 3khh n ASN 1070N -4.13 5.09 -4.80 1.44 5.03 -1.26 -4.94 115.26 111.69 3khh n ASN 1070Ca -0.01 -2.73 -0.32 0.00 0.87 0.00 0.00 54.58 52.39 3khh n ASN 1070Cb 0.38 -0.64 0.04 0.00 -1.02 0.00 0.00 39.78 38.55 3khh n ASN 1070CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3khh s ALA 1071N -2.40 2.59 -0.36 5.41 0.00 -1.12 -4.93 121.76 120.96 3khh s ALA 1071Ca 0.49 0.30 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 3khh s ALA 1071Cb 0.36 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 20.25 3khh s ALA 1071CO 0.17 -1.18 0.72 0.08 0.00 0.00 0.00 175.76 175.55 3khh s VAL 1072N -2.69 4.80 -0.29 0.00 1.01 -0.65 -4.97 120.40 117.61 3khh s VAL 1072Ca 0.62 0.78 -0.09 0.00 0.00 0.00 0.00 61.98 63.29 3khh s VAL 1072Cb -0.16 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3khh s VAL 1072CO 0.46 -0.37 0.14 -0.31 0.00 0.00 0.00 175.10 175.03 3khh s TYR 1073N 2.93 3.16 0.10 5.22 2.02 -1.26 0.04 117.35 129.56 3khh s TYR 1073Ca 0.28 -0.42 0.09 0.00 -0.37 0.00 0.00 57.07 56.66 3khh s TYR 1073Cb -0.14 -2.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.05 3khh s TYR 1073CO 0.16 -0.39 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.01 3khh s LEU 1074N 1.64 2.44 0.63 -1.29 1.43 0.58 -5.00 118.68 119.11 3khh s LEU 1074Ca 0.05 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 3khh s LEU 1074Cb -0.16 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 3khh s LEU 1074CO 0.07 0.21 1.05 -2.16 0.23 0.00 0.00 176.35 175.74 3khh s PRO 1075N -1.82 3.26 0.27 1.29 0.04 -1.26 0.01 135.00 136.78 3khh s PRO 1075Ca 0.15 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 61.93 3khh s PRO 1075Cb -0.10 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 3khh s PRO 1075CO 0.06 -0.85 1.64 1.41 0.04 0.00 0.00 177.00 179.30 3khh s MET 1076N -4.54 4.11 -0.53 4.56 1.75 -0.55 -4.67 119.30 119.42 3khh s MET 1076Ca 0.60 2.61 0.07 0.00 -1.25 0.00 0.00 55.69 57.72 3khh s MET 1076Cb -0.14 -3.03 0.25 0.00 2.84 0.00 0.00 34.83 34.75 3khh s MET 1076CO 0.45 -0.68 0.64 0.54 -0.65 0.00 0.00 175.02 175.32 3khh n ARG 1077N 2.66 1.74 -0.23 4.11 1.74 -1.26 -4.99 116.66 120.42 3khh n ARG 1077Ca 0.10 -4.05 -0.01 0.00 -0.77 0.00 0.00 57.85 53.13 3khh n ARG 1077Cb 0.37 -1.81 0.10 0.00 -1.02 0.00 0.00 32.46 30.10 3khh n ARG 1077CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3khh h LYS 1078N 4.14 0.61 -0.21 5.56 1.63 -2.00 -2.68 116.57 123.62 3khh h LYS 1078Ca 0.15 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.95 3khh h LYS 1078Cb 0.76 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.21 3khh h LYS 1078CO 0.67 0.40 -0.04 0.93 -3.45 0.00 0.00 179.45 177.97 3khh h GLU 1079N 0.63 0.02 -0.69 1.90 3.07 -1.99 -0.09 114.58 117.42 3khh h GLU 1079Ca 0.31 -0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.24 3khh h GLU 1079Cb 0.24 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.09 3khh h GLU 1079CO -0.21 0.01 0.36 0.28 -1.40 0.00 0.00 179.01 178.05 3khh h VAL 1080N 0.02 0.91 -0.36 3.13 2.07 -1.93 -1.73 116.25 118.36 3khh h VAL 1080Ca 0.10 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 3khh h VAL 1080Cb 0.15 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3khh h VAL 1080CO -0.20 0.12 -0.10 1.88 0.02 0.00 0.00 177.57 179.28 3khh h TYR 1081N 0.64 0.79 0.00 1.57 0.05 -1.08 -2.35 116.97 116.59 3khh h TYR 1081Ca 0.32 -0.17 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 3khh h TYR 1081Cb 0.28 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 3khh h TYR 1081CO -0.09 0.86 -0.32 0.37 -1.05 0.00 0.00 178.16 177.93 3khh h GLN 1082N 0.49 0.00 -0.49 4.88 5.75 -0.85 -0.40 115.11 124.48 3khh h GLN 1082Ca 0.09 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3khh h GLN 1082Cb 0.61 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 3khh h GLN 1082CO 0.04 0.32 0.01 1.96 -2.65 0.00 0.00 178.83 178.50 3khh h GLN 1083N 0.00 0.86 -0.47 1.69 4.20 -1.07 -0.75 115.11 119.58 3khh h GLN 1083Ca -0.00 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.30 3khh h GLN 1083Cb 0.57 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3khh h GLN 1083CO 0.04 0.90 -0.25 0.28 -0.67 0.00 0.00 178.83 179.13 3khh h VAL 1084N 0.73 1.27 -0.35 -0.54 2.07 -0.88 -2.61 116.25 115.93 3khh h VAL 1084Ca 0.14 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 3khh h VAL 1084Cb 0.50 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3khh h VAL 1084CO 0.02 0.49 0.10 -1.28 0.02 0.00 0.00 177.57 176.93 3khh h SER 1085N 0.85 0.52 -0.57 0.57 0.87 -1.00 -2.23 113.55 112.55 3khh h SER 1085Ca 0.10 -0.21 0.08 0.00 -1.23 0.00 0.00 61.79 60.53 3khh h SER 1085Cb 0.84 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.59 3khh h SER 1085CO 0.07 0.59 0.20 0.28 -0.53 0.00 0.00 176.83 177.45 3khh h SER 1086N 0.42 0.20 -0.72 6.23 0.02 -1.08 0.61 113.55 119.23 3khh h SER 1086Ca 0.11 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3khh h SER 1086Cb 0.26 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3khh h SER 1086CO -0.00 0.13 0.20 0.03 -1.14 0.00 0.00 176.83 176.05 3khh h ARG 1087N 0.39 1.13 -0.17 3.45 3.08 -1.28 -1.46 114.38 119.52 3khh h ARG 1087Ca 0.28 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3khh h ARG 1087Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3khh h ARG 1087CO -0.28 0.98 0.03 0.82 -1.07 0.00 0.00 179.97 180.44 3khh h ILE 1088N 1.07 1.22 -0.33 2.04 2.04 -1.05 -1.95 117.51 120.56 3khh h ILE 1088Ca 0.23 -0.73 0.10 0.00 1.00 0.00 0.00 64.86 65.45 3khh h ILE 1088Cb 0.34 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3khh h ILE 1088CO -0.00 0.22 0.25 0.24 0.00 0.00 0.00 178.15 178.85 3khh h MET 1089N 0.07 0.00 -0.26 2.37 2.86 -0.69 0.34 114.93 119.61 3khh h MET 1089Ca 0.05 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 3khh h MET 1089Cb 0.31 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3khh h MET 1089CO 0.00 0.00 -0.40 -0.91 1.06 0.00 0.00 176.91 176.67 3khh h ASN 1090N 0.00 0.81 -0.79 1.22 2.35 -0.94 -2.67 115.58 115.56 3khh h ASN 1090Ca 0.16 -0.51 0.03 0.00 -0.55 0.00 0.00 56.30 55.42 3khh h ASN 1090Cb 0.65 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 3khh h ASN 1090CO -0.00 1.17 0.50 -0.07 -1.65 0.00 0.00 177.43 177.38 3khh h LEU 1091N 0.47 0.84 -1.11 1.61 3.38 -0.23 -2.36 115.31 117.91 3khh h LEU 1091Ca 0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3khh h LEU 1091Cb 0.99 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3khh h LEU 1091CO 0.09 0.58 -0.08 -0.07 0.09 0.00 0.00 178.44 179.06 3khh h LEU 1092N 0.99 0.51 -1.52 1.67 3.38 -1.11 -2.07 115.31 117.16 3khh h LEU 1092Ca 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3khh h LEU 1092Cb -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3khh h LEU 1092CO -0.10 0.64 0.22 0.03 0.09 0.00 0.00 178.44 179.31 3khh h ARG 1093N 0.50 0.54 0.00 1.13 3.08 -1.06 -0.85 114.38 117.71 3khh h ARG 1093Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3khh h ARG 1093Cb 0.44 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3khh h ARG 1093CO 0.02 0.40 0.00 0.93 -1.07 0.00 0.00 179.97 180.25 3khh h GLU 1094N 0.55 0.00 0.04 0.04 5.08 -1.23 -2.71 114.58 116.35 3khh h GLU 1094Ca 0.14 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.13 3khh h GLU 1094Cb 0.01 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 3khh h GLU 1094CO -0.02 0.00 -2.26 0.66 -1.00 0.00 0.00 179.01 176.39 3khh n TYR 1095N -2.91 0.48 -3.75 4.33 4.01 -0.39 -4.98 117.16 113.96 3khh n TYR 1095Ca -0.02 0.11 -0.12 0.00 -0.16 0.00 0.00 57.90 57.71 3khh n TYR 1095Cb 0.10 -1.07 -0.12 0.00 -0.31 0.00 0.00 39.34 37.94 3khh n TYR 1095CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3khh s SER 1096N -6.55 -0.29 0.13 7.72 0.15 -0.84 -5.04 113.70 108.99 3khh s SER 1096Ca -0.26 0.56 -0.09 0.00 0.70 0.00 0.00 55.95 56.86 3khh s SER 1096Cb 0.08 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.81 3khh s SER 1096CO 0.70 -0.14 1.38 -0.33 1.20 0.00 0.00 173.24 176.04 3khh h GLU 1097N 6.63 0.71 -6.05 5.44 3.07 -1.88 -3.38 114.58 119.12 3khh h GLU 1097Ca -0.35 -0.53 -0.49 0.00 -0.50 0.00 0.00 59.36 57.49 3khh h GLU 1097Cb 1.17 0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 29.11 3khh h GLU 1097CO 0.36 1.15 1.17 0.15 -1.40 0.00 0.00 179.01 180.43 3khh s LYS 1098N -3.83 3.00 -0.03 2.33 3.01 -1.26 -4.96 119.74 118.00 3khh s LYS 1098Ca -0.09 -0.26 0.03 0.00 -1.01 0.00 0.00 55.97 54.65 3khh s LYS 1098Cb 0.10 -4.73 -0.00 0.00 -1.01 0.00 0.00 37.83 32.18 3khh s LYS 1098CO 0.88 -2.60 -0.12 -1.50 0.51 0.00 0.00 175.35 172.52 3khh s ILE 1099N 7.43 1.03 -0.27 2.17 2.07 -1.26 -1.97 121.20 130.39 3khh s ILE 1099Ca 0.54 -0.51 0.02 0.00 -1.41 0.00 0.00 60.65 59.29 3khh s ILE 1099Cb -0.07 -0.89 0.06 0.00 0.13 0.00 0.00 42.46 41.69 3khh s ILE 1099CO 0.06 0.30 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.62 3khh s GLU 1100N 0.03 2.23 -0.54 3.50 2.12 0.06 -4.22 118.70 121.87 3khh s GLU 1100Ca -0.01 -1.37 -0.25 0.00 0.36 0.00 0.00 54.97 53.70 3khh s GLU 1100Cb -0.09 -2.96 0.04 0.00 0.26 0.00 0.00 34.13 31.38 3khh s GLU 1100CO 0.01 -0.60 0.99 0.42 -0.54 0.00 0.00 175.26 175.54 3khh s ILE 1101N 1.12 4.32 0.10 -3.70 1.01 -1.26 0.09 121.20 122.87 3khh s ILE 1101Ca -0.07 0.50 0.05 0.00 0.00 0.00 0.00 60.65 61.12 3khh s ILE 1101Cb -0.20 -4.56 -0.23 0.00 0.01 0.00 0.00 42.46 37.48 3khh s ILE 1101CO -0.04 -1.11 1.20 0.00 0.00 0.00 0.00 174.94 174.99 3khh h ALA 1102N 9.32 0.32 -2.21 9.38 0.00 -1.71 -3.46 119.26 130.90 3khh h ALA 1102Ca -0.25 -0.94 -0.00 0.00 0.00 0.00 0.00 54.91 53.71 3khh h ALA 1102Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3khh h ALA 1102CO 1.10 1.21 0.08 -1.13 0.00 0.00 0.00 179.25 180.51 3khh n SER 1103N -3.37 -0.60 0.20 0.00 3.41 -1.14 -4.97 113.62 107.15 3khh n SER 1103Ca -0.03 -1.40 0.12 0.00 -0.26 0.00 0.00 58.87 57.30 3khh n SER 1103Cb 0.97 0.99 0.71 0.00 -0.26 0.00 0.00 64.21 66.62 3khh n SER 1103CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3khh h ILE 1104N 1.26 0.83 -0.01 -1.33 2.10 -2.01 -3.13 117.51 115.23 3khh h ILE 1104Ca -0.09 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.85 3khh h ILE 1104Cb 0.33 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 3khh h ILE 1104CO 0.11 0.00 -0.08 -0.90 -1.08 0.00 0.00 178.15 176.21 3khh n ASP 1105N -4.34 1.21 -4.14 2.19 5.75 -1.26 -4.74 116.55 111.22 3khh n ASP 1105Ca 0.00 -1.10 -0.24 0.00 -0.01 0.00 0.00 54.79 53.44 3khh n ASP 1105Cb 0.22 0.27 -0.15 0.00 -1.03 0.00 0.00 41.12 40.43 3khh n ASP 1105CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3khh s GLU 1106N -0.83 1.39 -0.06 0.11 2.02 -1.18 -0.95 118.70 119.19 3khh s GLU 1106Ca 0.06 -0.57 -0.15 0.00 0.02 0.00 0.00 54.97 54.33 3khh s GLU 1106Cb 0.05 -1.31 0.03 0.00 0.10 0.00 0.00 34.13 33.01 3khh s GLU 1106CO 0.13 0.32 0.36 0.00 0.02 0.00 0.00 175.26 176.09 3khh s ALA 1107N -0.28 -0.90 -0.10 5.21 0.00 -0.52 -1.72 121.76 123.45 3khh s ALA 1107Ca 0.04 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3khh s ALA 1107Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3khh s ALA 1107CO -0.00 -0.24 -0.10 0.71 0.00 0.00 0.00 175.76 176.13 3khh s TYR 1108N -0.78 2.87 -0.16 0.00 2.02 0.11 -0.65 117.35 120.76 3khh s TYR 1108Ca -0.09 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 3khh s TYR 1108Cb -0.04 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 3khh s TYR 1108CO 0.03 0.09 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.43 3khh s LEU 1109N -0.26 2.39 -0.38 -1.29 1.02 0.29 -0.76 118.68 119.68 3khh s LEU 1109Ca 0.03 -0.52 -0.27 0.00 0.02 0.00 0.00 54.13 53.39 3khh s LEU 1109Cb -0.13 -1.54 0.02 0.00 0.02 0.00 0.00 46.19 44.56 3khh s LEU 1109CO 0.03 0.06 0.98 -0.62 0.02 0.00 0.00 176.35 176.82 3khh s ASP 1110N 0.95 6.70 -0.16 2.29 -1.08 -0.83 -0.40 116.67 124.14 3khh s ASP 1110Ca -0.03 0.61 0.16 0.00 -0.52 0.00 0.00 52.55 52.77 3khh s ASP 1110Cb -0.15 -2.49 0.34 0.00 -1.46 0.00 0.00 42.92 39.16 3khh s ASP 1110CO -0.03 -0.93 1.18 2.30 0.52 0.00 0.00 175.17 178.21 3khh n ILE 1111N 6.10 2.01 -0.31 4.11 -5.35 -0.72 -4.63 119.36 120.57 3khh n ILE 1111Ca 0.08 -2.62 0.02 0.00 -0.27 0.00 0.00 62.75 59.97 3khh n ILE 1111Cb 0.48 -0.24 0.21 0.00 -1.74 0.00 0.00 39.64 38.35 3khh n ILE 1111CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3khh h SER 1112N 0.37 0.96 -0.48 7.28 0.02 -1.89 -1.12 113.55 118.69 3khh h SER 1112Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3khh h SER 1112Cb 1.01 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3khh h SER 1112CO 0.00 0.64 0.00 -0.90 -1.14 0.00 0.00 176.83 175.43 3khh n ASP 1113N -4.46 3.24 -0.08 3.07 5.68 -1.26 -4.35 116.55 118.39 3khh n ASP 1113Ca 0.13 -1.96 -0.05 0.00 -0.50 0.00 0.00 54.79 52.40 3khh n ASP 1113Cb 0.14 -0.31 -0.16 0.00 -1.14 0.00 0.00 41.12 39.65 3khh n ASP 1113CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3khh n LYS 1114N 1.31 0.69 -4.26 0.11 4.76 -0.46 -5.01 118.16 115.30 3khh n LYS 1114Ca 0.20 -0.05 -0.18 0.00 -2.87 0.00 0.00 58.31 55.41 3khh n LYS 1114Cb 0.55 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 32.11 3khh n LYS 1114CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3khh s VAL 1115N -2.73 1.42 -0.07 -0.18 -7.23 -0.99 -5.07 120.40 105.54 3khh s VAL 1115Ca -0.10 -1.84 -0.09 0.00 -1.81 0.00 0.00 61.98 58.15 3khh s VAL 1115Cb 0.08 -1.66 -0.29 0.00 0.56 0.00 0.00 36.38 35.07 3khh s VAL 1115CO 0.85 -0.46 0.56 0.03 -0.31 0.00 0.00 175.10 175.77 3khh h ARG 1116N 3.30 0.35 -4.00 4.82 3.08 -1.90 -3.46 114.38 116.55 3khh h ARG 1116Ca -0.40 -0.59 -0.27 0.00 0.07 0.00 0.00 59.98 58.80 3khh h ARG 1116Cb 1.20 0.22 -0.06 0.00 0.08 0.00 0.00 29.97 31.41 3khh h ARG 1116CO 0.53 1.28 -0.12 0.16 -1.07 0.00 0.00 179.97 180.75 3khh s ASP 1117N -7.20 0.95 0.28 7.04 3.84 -1.26 -5.05 116.67 115.28 3khh s ASP 1117Ca -0.18 -1.51 -0.02 0.00 -0.00 0.00 0.00 52.55 50.84 3khh s ASP 1117Cb 0.06 0.71 0.40 0.00 -1.38 0.00 0.00 42.92 42.71 3khh s ASP 1117CO 0.82 -1.39 1.86 1.88 -0.00 0.00 0.00 175.17 178.33 3khh h TYR 1118N 2.05 0.92 -0.53 2.11 0.05 -1.98 -0.18 116.97 119.41 3khh h TYR 1118Ca -0.29 -0.06 0.09 0.00 0.05 0.00 0.00 58.73 58.53 3khh h TYR 1118Cb 1.24 -0.28 -0.08 0.00 1.01 0.00 0.00 36.73 38.63 3khh h TYR 1118CO 1.66 0.71 0.10 -0.09 -1.05 0.00 0.00 178.16 179.49 3khh h ARG 1119N 0.89 0.23 -0.26 4.88 2.43 -1.99 0.48 114.38 121.04 3khh h ARG 1119Ca 0.21 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 3khh h ARG 1119Cb 0.19 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3khh h ARG 1119CO -0.02 0.15 -0.38 1.49 -1.51 0.00 0.00 179.97 179.70 3khh h GLU 1120N 0.23 0.61 -0.61 0.20 4.81 -1.80 -2.56 114.58 115.46 3khh h GLU 1120Ca 0.27 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3khh h GLU 1120Cb 0.38 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3khh h GLU 1120CO -0.36 0.89 0.26 0.00 -0.73 0.00 0.00 179.01 179.07 3khh h ALA 1121N 1.08 0.79 -0.12 2.92 0.00 -0.30 -2.17 119.26 121.46 3khh h ALA 1121Ca 0.05 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3khh h ALA 1121Cb 0.88 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3khh h ALA 1121CO 0.08 0.39 -0.08 -0.92 0.00 0.00 0.00 179.25 178.72 3khh h TYR 1122N 0.84 -0.19 -0.43 0.00 3.20 0.05 -0.62 116.97 119.83 3khh h TYR 1122Ca 0.21 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3khh h TYR 1122Cb 0.17 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3khh h TYR 1122CO 0.01 -0.12 0.07 -0.91 -1.64 0.00 0.00 178.16 175.56 3khh h ASN 1123N -0.08 0.62 -0.54 -2.11 2.35 -1.39 -1.48 115.58 112.96 3khh h ASN 1123Ca 0.07 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 3khh h ASN 1123Cb 0.19 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3khh h ASN 1123CO -0.17 0.64 0.17 0.25 -1.65 0.00 0.00 177.43 176.67 3khh h LEU 1124N 0.64 0.78 -0.53 1.61 5.85 -0.97 0.70 115.31 123.38 3khh h LEU 1124Ca 0.14 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.72 3khh h LEU 1124Cb 0.30 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3khh h LEU 1124CO 0.00 0.77 0.24 1.23 -0.34 0.00 0.00 178.44 180.34 3khh h GLY 1125N 0.74 0.74 0.97 3.75 0.00 -0.53 0.55 103.07 109.29 3khh h GLY 1125Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3khh h GLY 1125CO -0.01 0.06 0.22 1.41 0.00 0.00 0.00 176.54 178.22 3khh h LEU 1126N 0.45 0.47 -0.31 3.11 3.38 -1.03 0.23 115.31 121.60 3khh h LEU 1126Ca 0.25 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3khh h LEU 1126Cb 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3khh h LEU 1126CO -0.21 0.41 0.14 -0.33 0.09 0.00 0.00 178.44 178.53 3khh h GLU 1127N 0.49 0.28 -0.17 1.13 5.08 -0.07 0.18 114.58 121.50 3khh h GLU 1127Ca 0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3khh h GLU 1127Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3khh h GLU 1127CO -0.02 0.19 0.11 0.82 -1.00 0.00 0.00 179.01 179.11 3khh h ILE 1128N 0.29 1.05 -0.47 3.13 2.04 0.27 0.18 117.51 124.00 3khh h ILE 1128Ca 0.13 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3khh h ILE 1128Cb 0.07 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 3khh h ILE 1128CO -0.11 0.05 0.16 0.11 0.00 0.00 0.00 178.15 178.36 3khh h LYS 1129N 0.23 0.32 -0.33 2.37 1.57 -0.30 -2.14 116.57 118.30 3khh h LYS 1129Ca 0.06 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3khh h LYS 1129Cb -0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3khh h LYS 1129CO -0.01 0.21 -0.28 -0.91 -0.57 0.00 0.00 179.45 177.89 3khh h ASN 1130N 0.33 0.70 -0.46 0.86 2.35 -0.59 -2.36 115.58 116.41 3khh h ASN 1130Ca 0.22 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 3khh h ASN 1130Cb 0.23 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3khh h ASN 1130CO -0.23 0.95 0.13 0.50 -1.65 0.00 0.00 177.43 177.12 3khh h LYS 1131N 0.59 0.73 -0.81 0.81 1.63 -0.74 -0.80 116.57 117.97 3khh h LYS 1131Ca 0.07 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3khh h LYS 1131Cb 0.78 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.27 3khh h LYS 1131CO 0.06 0.71 0.50 0.82 -3.45 0.00 0.00 179.45 178.09 3khh h ILE 1132N 0.61 1.22 -0.60 2.00 2.04 -1.33 0.14 117.51 121.59 3khh h ILE 1132Ca 0.15 -0.46 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 3khh h ILE 1132Cb 0.30 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3khh h ILE 1132CO -0.00 0.23 0.03 0.25 0.00 0.00 0.00 178.15 178.65 3khh h LEU 1133N 1.10 1.01 -0.41 1.44 5.85 -1.26 0.13 115.31 123.17 3khh h LEU 1133Ca 0.29 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 3khh h LEU 1133Cb -0.07 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 3khh h LEU 1133CO -0.06 1.06 0.01 -0.08 -0.34 0.00 0.00 178.44 179.03 3khh h GLU 1134N 0.93 0.72 0.00 1.25 4.81 -0.60 0.92 114.58 122.61 3khh h GLU 1134Ca 0.17 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3khh h GLU 1134Cb 0.52 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3khh h GLU 1134CO 0.03 0.79 -1.24 1.63 -0.73 0.00 0.00 179.01 179.49 3khh n LYS 1135N -4.44 0.30 0.00 1.92 5.02 -0.01 -4.51 118.16 116.43 3khh n LYS 1135Ca -0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3khh n LYS 1135Cb 0.28 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3khh n LYS 1135CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3khh n GLU 1136N -1.91 0.35 -1.73 1.97 -0.58 0.45 -5.01 120.64 114.17 3khh n GLU 1136Ca 0.01 -0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.51 3khh n GLU 1136Cb 0.44 -0.35 -0.07 0.00 -0.57 0.00 0.00 31.44 30.89 3khh n GLU 1136CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3khh n LYS 1137N -0.06 -1.49 -4.17 3.49 4.76 0.32 -4.96 118.16 116.05 3khh n LYS 1137Ca 0.00 1.15 -0.34 0.00 -2.87 0.00 0.00 58.31 56.24 3khh n LYS 1137Cb 0.12 -5.57 -0.10 0.00 -1.84 0.00 0.00 35.03 27.64 3khh n LYS 1137CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3khh s ILE 1138N -2.75 4.50 0.02 -0.18 -1.09 -1.24 -4.89 121.20 115.58 3khh s ILE 1138Ca 0.00 -0.15 -0.23 0.00 -2.23 0.00 0.00 60.65 58.04 3khh s ILE 1138Cb 0.00 -2.99 -0.05 0.00 -1.58 0.00 0.00 42.46 37.84 3khh s ILE 1138CO 0.00 0.50 0.71 -0.89 -1.23 0.00 0.00 174.94 174.03 3khh s THR 1139N 0.06 4.80 0.12 2.92 2.01 -1.26 -3.57 115.64 120.73 3khh s THR 1139Ca 0.04 1.50 0.04 0.00 0.31 0.00 0.00 61.69 63.58 3khh s THR 1139Cb -0.13 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 3khh s THR 1139CO 0.01 0.38 -0.11 0.68 -0.69 0.00 0.00 174.62 174.89 3khh s VAL 1140N -0.06 1.10 -0.11 3.82 -7.23 -1.26 -2.08 120.40 114.58 3khh s VAL 1140Ca 0.36 -1.86 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 3khh s VAL 1140Cb -0.20 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 3khh s VAL 1140CO 0.21 -0.64 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.43 3khh s THR 1141N -2.85 3.90 -0.11 5.32 2.01 0.97 -3.50 115.64 121.38 3khh s THR 1141Ca 0.11 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.76 3khh s THR 1141Cb -0.00 -2.65 -0.00 0.00 0.01 0.00 0.00 72.50 69.85 3khh s THR 1141CO 0.01 0.55 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.60 3khh s VAL 1142N -0.30 2.40 -0.06 3.82 1.01 -0.69 -0.55 120.40 126.02 3khh s VAL 1142Ca 0.05 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3khh s VAL 1142Cb -0.12 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3khh s VAL 1142CO 0.02 0.55 -0.20 -0.83 0.00 0.00 0.00 175.10 174.64 3khh s GLY 1143N 0.37 1.40 -0.07 4.51 0.00 0.13 -1.35 107.32 112.31 3khh s GLY 1143Ca -0.16 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.57 3khh s GLY 1143CO 0.07 -0.66 -0.11 -0.42 0.00 0.00 0.00 173.10 171.99 3khh s ILE 1144N -0.33 1.07 0.24 0.90 1.01 0.17 -0.21 121.20 124.06 3khh s ILE 1144Ca 0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 3khh s ILE 1144Cb -0.13 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.40 3khh s ILE 1144CO 0.02 0.35 0.70 -0.24 0.00 0.00 0.00 174.94 175.77 3khh n SER 1145N 3.99 -1.64 0.18 3.58 2.88 -0.80 -0.63 113.62 121.18 3khh n SER 1145Ca -0.22 -2.04 0.04 0.00 -1.33 0.00 0.00 58.87 55.32 3khh n SER 1145Cb 0.51 2.70 0.31 0.00 -0.75 0.00 0.00 64.21 66.99 3khh n SER 1145CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3khh h LYS 1146N 0.00 0.00 -4.54 -1.46 2.10 -1.76 0.24 116.57 111.16 3khh h LYS 1146Ca -0.24 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.10 3khh h LYS 1146Cb 0.96 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.17 3khh h LYS 1146CO 0.32 0.43 -0.46 0.54 -2.00 0.00 0.00 179.45 178.28 3khh s ASN 1147N -6.57 0.79 0.21 7.07 2.20 -1.26 -4.09 114.94 113.28 3khh s ASN 1147Ca -0.01 -1.49 -0.09 0.00 -0.94 0.00 0.00 52.86 50.33 3khh s ASN 1147Cb 0.12 0.51 0.28 0.00 -2.00 0.00 0.00 41.25 40.16 3khh s ASN 1147CO 0.71 -1.02 1.76 0.11 -2.94 0.00 0.00 177.10 175.71 3khh h LYS 1148N 2.33 0.45 -0.25 3.55 1.57 -1.90 -1.94 116.57 120.39 3khh h LYS 1148Ca -0.30 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 3khh h LYS 1148Cb 1.24 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3khh h LYS 1148CO 0.43 0.30 -0.08 0.28 -0.57 0.00 0.00 179.45 179.81 3khh h VAL 1149N 0.47 1.29 -0.02 0.50 2.07 -1.97 -0.39 116.25 118.19 3khh h VAL 1149Ca 0.31 -1.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 3khh h VAL 1149Cb 0.36 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3khh h VAL 1149CO -0.28 0.35 -0.58 -0.26 0.02 0.00 0.00 177.57 176.82 3khh h PHE 1150N 0.24 0.10 -0.63 1.57 0.04 -1.95 -1.43 116.94 114.87 3khh h PHE 1150Ca 0.06 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3khh h PHE 1150Cb 0.56 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 3khh h PHE 1150CO 0.05 0.63 0.26 0.00 -0.60 0.00 0.00 178.31 178.66 3khh h ALA 1151N 1.36 0.81 -0.31 2.45 0.00 -1.06 0.44 119.26 122.96 3khh h ALA 1151Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3khh h ALA 1151Cb 1.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3khh h ALA 1151CO 0.08 0.42 0.20 -0.22 0.00 0.00 0.00 179.25 179.73 3khh h LYS 1152N 0.88 0.42 -0.90 0.00 1.63 -0.85 -2.11 116.57 115.63 3khh h LYS 1152Ca 0.21 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.00 3khh h LYS 1152Cb 0.19 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.68 3khh h LYS 1152CO -0.02 0.29 0.59 0.82 -3.45 0.00 0.00 179.45 177.69 3khh h ILE 1153N 0.41 1.20 -0.45 2.00 2.04 -1.01 -1.32 117.51 120.38 3khh h ILE 1153Ca 0.11 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3khh h ILE 1153Cb -0.02 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 35.92 3khh h ILE 1153CO -0.02 0.22 0.22 0.00 0.00 0.00 0.00 178.15 178.57 3khh h ALA 1154N 1.35 0.56 -0.44 1.87 0.00 -0.57 -1.59 119.26 120.45 3khh h ALA 1154Ca 0.34 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 3khh h ALA 1154Cb -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3khh h ALA 1154CO -0.09 -0.13 -0.12 0.00 0.00 0.00 0.00 179.25 178.91 3khh h ALA 1155N 1.24 0.60 -0.88 0.00 0.00 -0.98 -2.69 119.26 116.56 3khh h ALA 1155Ca 0.19 -0.34 0.17 0.00 0.00 0.00 0.00 54.91 54.94 3khh h ALA 1155Cb 0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3khh h ALA 1155CO -0.13 0.51 0.57 -0.44 0.00 0.00 0.00 179.25 179.76 3khh h ASP 1156N 0.69 0.52 1.26 0.00 3.32 -0.86 0.61 116.42 121.95 3khh h ASP 1156Ca 0.11 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3khh h ASP 1156Cb 0.67 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3khh h ASP 1156CO 0.05 0.23 -0.12 0.23 -1.72 0.00 0.00 179.24 177.91 3khh n MET 1157N -4.54 0.21 0.00 3.56 2.81 -0.63 -3.92 117.12 114.60 3khh n MET 1157Ca 0.18 0.15 0.04 0.00 -1.81 0.00 0.00 57.70 56.26 3khh n MET 1157Cb 0.58 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 31.33 3khh n MET 1157CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3khh n ALA 1158N -1.73 3.06 -1.61 3.04 0.00 0.04 -5.02 120.51 118.29 3khh n ALA 1158Ca 0.05 -0.29 -0.44 0.00 0.00 0.00 0.00 53.44 52.77 3khh n ALA 1158Cb 0.41 -0.32 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 3khh n ALA 1158CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3khh n LYS 1159N -0.99 1.46 -2.51 0.00 5.02 -0.24 -3.40 118.16 117.50 3khh n LYS 1159Ca 0.02 0.51 -0.23 0.00 -2.02 0.00 0.00 58.31 56.59 3khh n LYS 1159Cb 0.15 -1.93 0.12 0.00 -0.02 0.00 0.00 35.03 33.35 3khh n LYS 1159CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3khh n PRO 1160N 0.63 -0.17 -4.34 1.97 -0.04 -1.26 -4.92 135.00 126.86 3khh n PRO 1160Ca 0.09 -2.65 -0.38 0.00 -0.04 0.00 0.00 63.50 60.51 3khh n PRO 1160Cb 0.34 -0.69 -0.05 0.00 -0.04 0.00 0.00 33.50 33.05 3khh n PRO 1160CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3khh n ASN 1161N -2.96 -2.52 -4.90 3.54 4.05 -1.26 -4.90 115.26 106.33 3khh n ASN 1161Ca 0.16 -1.11 -0.20 0.00 0.45 0.00 0.00 54.58 53.88 3khh n ASN 1161Cb 0.58 -2.29 -0.03 0.00 1.23 0.00 0.00 39.78 39.28 3khh n ASN 1161CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 3khh s GLY 1162N -3.35 1.97 -0.13 8.20 0.00 -1.22 -4.92 107.32 107.87 3khh s GLY 1162Ca 0.73 -1.76 -0.08 0.00 0.00 0.00 0.00 44.72 43.61 3khh s GLY 1162CO 0.97 -1.61 0.33 -1.50 0.00 0.00 0.00 173.10 171.28 3khh s ILE 1163N -2.38 -0.02 -0.17 0.90 2.07 -1.25 -1.70 121.20 118.63 3khh s ILE 1163Ca 0.47 0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 59.67 3khh s ILE 1163Cb -0.05 -0.48 0.05 0.00 0.13 0.00 0.00 42.46 42.11 3khh s ILE 1163CO 0.28 0.04 0.44 -0.75 -1.91 0.00 0.00 174.94 173.04 3khh s LYS 1164N 1.01 0.46 -0.17 3.50 2.20 -0.45 -4.98 119.74 121.31 3khh s LYS 1164Ca -0.07 0.74 -0.05 0.00 -0.36 0.00 0.00 55.97 56.23 3khh s LYS 1164Cb -0.07 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 3khh s LYS 1164CO -0.08 -0.12 0.00 0.08 -0.36 0.00 0.00 175.35 174.88 3khh s VAL 1165N 0.94 4.19 -0.41 4.02 1.01 -1.26 -0.65 120.40 128.23 3khh s VAL 1165Ca -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 3khh s VAL 1165Cb -0.06 -2.86 0.11 0.00 0.00 0.00 0.00 36.38 33.56 3khh s VAL 1165CO -0.08 0.47 0.21 -0.63 0.00 0.00 0.00 175.10 175.07 3khh s ILE 1166N 0.51 3.41 0.88 2.22 1.01 0.19 -4.96 121.20 124.46 3khh s ILE 1166Ca -0.01 -1.95 -0.13 0.00 0.00 0.00 0.00 60.65 58.57 3khh s ILE 1166Cb -0.14 -3.29 0.12 0.00 0.01 0.00 0.00 42.46 39.17 3khh s ILE 1166CO 0.02 -0.65 1.19 1.51 0.00 0.00 0.00 174.94 177.01 3khh s ASP 1167N 1.89 3.86 0.44 3.58 1.47 -1.26 -4.28 116.67 122.37 3khh s ASP 1167Ca 0.07 0.73 0.17 0.00 1.18 0.00 0.00 52.55 54.70 3khh s ASP 1167Cb -0.23 -1.16 1.11 0.00 -0.34 0.00 0.00 42.92 42.30 3khh s ASP 1167CO -0.03 -2.31 1.93 0.44 0.68 0.00 0.00 175.17 175.88 3khh h ASP 1168N -1.33 0.33 -0.29 2.11 3.45 -1.99 0.20 116.42 118.91 3khh h ASP 1168Ca -0.47 0.02 -0.09 0.00 0.43 0.00 0.00 57.03 56.92 3khh h ASP 1168Cb 1.31 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 3khh h ASP 1168CO 0.59 0.17 -0.16 -0.33 -1.57 0.00 0.00 179.24 177.94 3khh h GLU 1169N 0.35 0.62 0.00 3.56 4.39 -2.01 -3.01 114.58 118.47 3khh h GLU 1169Ca 0.36 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 3khh h GLU 1169Cb 0.90 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 3khh h GLU 1169CO -0.10 0.86 -0.07 0.93 -1.16 0.00 0.00 179.01 179.47 3khh h GLU 1170N 0.36 0.00 -0.00 2.33 4.39 -1.34 -2.47 114.58 117.84 3khh h GLU 1170Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3khh h GLU 1170Cb 0.69 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3khh h GLU 1170CO 0.05 0.07 0.00 0.28 -1.16 0.00 0.00 179.01 178.25 3khh h VAL 1171N 0.00 1.17 -0.58 3.13 2.07 -1.13 0.51 116.25 121.42 3khh h VAL 1171Ca -0.00 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.11 3khh h VAL 1171Cb 0.32 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 3khh h VAL 1171CO 0.01 0.13 0.19 0.11 0.02 0.00 0.00 177.57 178.03 3khh h LYS 1172N -0.21 0.35 -0.62 1.57 1.79 -1.41 -1.20 116.57 116.84 3khh h LYS 1172Ca 0.00 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 3khh h LYS 1172Cb 0.21 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 3khh h LYS 1172CO -0.00 0.23 0.15 -0.09 -1.08 0.00 0.00 179.45 178.66 3khh h ARG 1173N 0.36 0.99 -0.26 3.15 1.12 -1.34 -3.17 114.38 115.22 3khh h ARG 1173Ca 0.29 -0.24 -0.04 0.00 -1.11 0.00 0.00 59.98 58.88 3khh h ARG 1173Cb 0.37 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 3khh h ARG 1173CO -0.31 0.90 0.01 -0.07 -3.11 0.00 0.00 179.97 177.39 3khh h LEU 1174N 0.90 0.44 -1.33 3.80 3.38 -0.25 -1.70 115.31 120.54 3khh h LEU 1174Ca 0.19 -0.30 0.33 0.00 0.09 0.00 0.00 57.88 58.20 3khh h LEU 1174Cb 0.36 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 40.88 3khh h LEU 1174CO 0.00 0.63 0.72 0.40 0.09 0.00 0.00 178.44 180.29 3khh h ILE 1175N 0.23 0.35 0.20 1.22 2.04 -1.22 0.93 117.51 121.27 3khh h ILE 1175Ca 0.07 -0.09 -0.34 0.00 1.00 0.00 0.00 64.86 65.50 3khh h ILE 1175Cb 0.40 0.05 0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3khh h ILE 1175CO 0.01 0.05 -1.59 0.03 0.00 0.00 0.00 178.15 176.65 3khh h ARG 1176N 0.27 0.43 0.00 2.37 3.08 -1.52 -0.04 114.38 118.97 3khh h ARG 1176Ca 0.69 -0.73 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3khh h ARG 1176Cb 1.91 0.27 0.00 0.00 0.08 0.00 0.00 29.97 32.23 3khh h ARG 1176CO -0.38 1.34 -1.30 -1.91 -1.07 0.00 0.00 179.97 176.64 3khh n GLU 1177N -3.62 0.37 -3.00 0.04 4.07 -0.04 -4.76 120.64 113.70 3khh n GLU 1177Ca -0.20 -0.05 -0.42 0.00 -0.06 0.00 0.00 57.16 56.43 3khh n GLU 1177Cb 1.08 -1.58 -0.06 0.00 -0.06 0.00 0.00 31.44 30.83 3khh n GLU 1177CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3khh s LEU 1178N -4.06 4.15 0.44 4.31 2.96 0.30 -5.03 118.68 121.75 3khh s LEU 1178Ca 0.01 0.38 -0.24 0.00 -0.22 0.00 0.00 54.13 54.05 3khh s LEU 1178Cb 0.14 -2.97 -0.08 0.00 0.50 0.00 0.00 46.19 43.79 3khh s LEU 1178CO 0.84 -0.66 1.21 1.51 -1.32 0.00 0.00 176.35 177.93 3khh s ASP 1179N 1.77 6.22 0.53 3.68 -4.77 -1.26 -2.27 116.67 120.57 3khh s ASP 1179Ca 0.30 2.42 0.26 0.00 -3.30 0.00 0.00 52.55 52.22 3khh s ASP 1179Cb -0.14 -2.62 1.40 0.00 -1.09 0.00 0.00 42.92 40.48 3khh s ASP 1179CO 0.15 -0.89 1.99 -0.29 0.70 0.00 0.00 175.17 176.83 3khh h ILE 1180N 2.08 0.72 -0.44 2.11 6.09 -1.59 -0.60 117.51 125.87 3khh h ILE 1180Ca -0.49 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.04 3khh h ILE 1180Cb 1.25 0.73 -0.02 0.00 0.47 0.00 0.00 36.82 39.24 3khh h ILE 1180CO 0.61 0.00 0.29 0.00 -3.07 0.00 0.00 178.15 175.98 3khh h ALA 1181N 1.72 1.87 -0.13 0.18 0.00 -1.84 -2.58 119.26 118.49 3khh h ALA 1181Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3khh h ALA 1181Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3khh h ALA 1181CO -0.00 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 3khh n ASP 1182N -4.48 1.32 -4.71 0.00 8.00 -0.23 -4.63 116.55 111.81 3khh n ASP 1182Ca 0.05 -1.64 -0.42 0.00 0.71 0.00 0.00 54.79 53.49 3khh n ASP 1182Cb 0.19 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 3khh n ASP 1182CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3khh s VAL 1183N -1.84 4.82 0.29 2.53 1.01 -0.97 -4.93 120.40 121.31 3khh s VAL 1183Ca 0.31 2.01 -0.29 0.00 0.00 0.00 0.00 61.98 64.01 3khh s VAL 1183Cb 0.17 -4.29 -0.13 0.00 0.00 0.00 0.00 36.38 32.12 3khh s VAL 1183CO 0.25 0.20 1.27 -2.65 0.00 0.00 0.00 175.10 174.17 3khh n PRO 1184N 3.69 1.91 -0.87 2.72 -0.02 -1.26 -1.62 135.00 139.56 3khh n PRO 1184Ca 0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3khh n PRO 1184Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3khh n PRO 1184CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khh n GLY 1185N 1.38 1.11 3.18 -1.23 0.00 -1.26 -5.00 105.19 103.36 3khh n GLY 1185Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3khh n GLY 1185CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khh s ILE 1186N -3.69 2.47 0.00 -0.61 -1.09 -0.64 -5.08 121.20 112.56 3khh s ILE 1186Ca 0.00 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 3khh s ILE 1186Cb 0.00 -2.09 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 3khh s ILE 1186CO 0.00 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 3khh n GLY 1187N 4.67 4.36 0.22 6.18 0.00 -1.26 -4.51 105.19 114.85 3khh n GLY 1187Ca -0.20 -2.17 -0.01 0.00 0.00 0.00 0.00 46.02 43.63 3khh n GLY 1187CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khh h ASN 1188N 0.00 0.18 -0.34 1.61 -0.26 -1.97 0.98 115.58 115.77 3khh h ASN 1188Ca 0.00 0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.83 3khh h ASN 1188Cb 0.00 0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 3khh h ASN 1188CO 0.00 0.12 0.20 0.40 -1.06 0.00 0.00 177.43 177.09 3khh h ILE 1189N 0.37 1.04 -0.30 2.81 1.08 -2.00 -0.02 117.51 120.49 3khh h ILE 1189Ca 0.28 -0.14 -0.13 0.00 -0.39 0.00 0.00 64.86 64.47 3khh h ILE 1189Cb 0.33 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.67 3khh h ILE 1189CO -0.29 0.08 -0.34 0.74 -0.69 0.00 0.00 178.15 177.65 3khh h THR 1190N 0.41 1.30 -0.69 -0.27 2.02 -1.89 -3.02 112.91 110.77 3khh h THR 1190Ca 0.13 -1.51 0.12 0.00 0.77 0.00 0.00 66.41 65.92 3khh h THR 1190Cb -0.00 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 3khh h THR 1190CO -0.06 0.49 0.46 0.00 0.37 0.00 0.00 175.52 176.78 3khh h ALA 1191N 0.70 2.02 0.00 6.16 0.00 -0.51 -2.10 119.26 125.54 3khh h ALA 1191Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3khh h ALA 1191Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3khh h ALA 1191CO 0.08 -0.18 -0.00 0.93 0.00 0.00 0.00 179.25 180.08 3khh h GLU 1192N 0.45 -0.01 -0.66 0.00 4.39 -0.93 0.04 114.58 117.86 3khh h GLU 1192Ca 0.33 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.13 3khh h GLU 1192Cb 0.65 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 3khh h GLU 1192CO -0.10 0.48 0.44 0.87 -1.16 0.00 0.00 179.01 179.54 3khh h LYS 1193N -0.49 0.45 0.06 2.33 1.57 -1.34 0.96 116.57 120.11 3khh h LYS 1193Ca -0.00 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 3khh h LYS 1193Cb 0.49 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.71 3khh h LYS 1193CO 0.00 0.30 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.46 3khh h LEU 1194N 0.46 0.47 -1.02 2.94 3.38 -1.38 -3.25 115.31 116.91 3khh h LEU 1194Ca 0.31 -0.85 0.14 0.00 0.09 0.00 0.00 57.88 57.57 3khh h LEU 1194Cb 0.59 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 3khh h LEU 1194CO -0.10 1.27 0.63 0.50 0.09 0.00 0.00 178.44 180.83 3khh h LYS 1195N -0.27 0.90 0.00 1.13 3.64 -0.28 0.56 116.57 122.24 3khh h LYS 1195Ca -0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3khh h LYS 1195Cb 1.43 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3khh h LYS 1195CO 0.13 0.60 0.00 1.63 -2.27 0.00 0.00 179.45 179.53 3khh n LYS 1196N -4.65 0.05 -0.03 1.90 5.02 0.27 -1.88 118.16 118.83 3khh n LYS 1196Ca 0.20 0.29 0.03 0.00 -2.02 0.00 0.00 58.31 56.81 3khh n LYS 1196Cb 0.42 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.97 3khh n LYS 1196CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3khh n LEU 1197N -1.33 1.96 0.00 -0.35 4.77 0.19 -4.99 117.00 117.25 3khh n LEU 1197Ca 0.02 -2.19 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 3khh n LEU 1197Cb 0.04 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3khh n LEU 1197CO 0.03 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3khh n GLY 1198N -0.73 1.59 3.59 -0.72 0.00 -0.79 -5.00 105.19 103.13 3khh n GLY 1198Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3khh n GLY 1198CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khh s ILE 1199N -3.29 4.49 0.00 -0.61 1.01 -0.81 -4.82 121.20 117.17 3khh s ILE 1199Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3khh s ILE 1199Cb 0.00 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 38.06 3khh s ILE 1199CO 0.00 -0.72 0.00 0.59 0.00 0.00 0.00 174.94 174.81 3khh n ASN 1200N 7.06 4.72 -4.37 3.58 3.02 -1.26 -2.95 115.26 125.06 3khh n ASN 1200Ca 0.07 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.43 3khh n ASN 1200Cb 0.48 0.75 -0.10 0.00 -0.61 0.00 0.00 39.78 40.30 3khh n ASN 1200CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3khh s LYS 1201N -1.91 1.41 0.29 3.52 -0.14 -1.26 -1.64 119.74 120.00 3khh s LYS 1201Ca 0.00 -1.63 0.03 0.00 -1.36 0.00 0.00 55.97 53.01 3khh s LYS 1201Cb 0.00 -1.26 0.60 0.00 -1.68 0.00 0.00 37.83 35.49 3khh s LYS 1201CO 0.00 0.21 1.83 1.25 -0.76 0.00 0.00 175.35 177.88 3khh h LEU 1202N 2.49 0.89 -1.67 3.17 6.46 -1.39 -2.11 115.31 123.16 3khh h LEU 1202Ca -0.38 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.40 3khh h LEU 1202Cb 1.23 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.03 3khh h LEU 1202CO 0.62 0.45 -0.10 1.62 -0.62 0.00 0.00 178.44 180.40 3khh h VAL 1203N 0.94 1.11 -0.02 1.05 3.04 -1.30 -2.95 116.25 118.12 3khh h VAL 1203Ca 0.51 -0.48 0.01 0.00 -1.01 0.00 0.00 66.70 65.72 3khh h VAL 1203Cb 0.58 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 31.04 3khh h VAL 1203CO -0.28 0.15 0.02 0.44 -1.01 0.00 0.00 177.57 176.88 3khh h ASP 1204N 0.08 0.00 0.18 3.17 3.32 -1.67 -1.32 116.42 120.17 3khh h ASP 1204Ca 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3khh h ASP 1204Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3khh h ASP 1204CO 0.01 0.00 -0.02 0.71 -1.72 0.00 0.00 179.24 178.22 3khh h THR 1205N 0.00 0.24 0.00 0.35 1.35 -1.66 -0.72 112.91 112.47 3khh h THR 1205Ca 0.01 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3khh h THR 1205Cb 0.04 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 3khh h THR 1205CO -0.00 0.02 0.00 0.18 -0.25 0.00 0.00 175.52 175.47 3khh n LEU 1206N -3.38 0.00 0.05 3.87 4.77 -0.50 -3.41 117.00 118.39 3khh n LEU 1206Ca -0.02 0.46 0.10 0.00 -0.03 0.00 0.00 56.01 56.52 3khh n LEU 1206Cb 0.13 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 40.68 3khh n LEU 1206CO 0.24 -0.04 -0.37 -1.20 -1.33 0.00 0.00 177.39 174.69 3khh n SER 1207N -1.46 0.45 -4.92 -1.43 7.64 -0.28 -4.94 113.62 108.68 3khh n SER 1207Ca 0.08 0.18 -0.28 0.00 1.01 0.00 0.00 58.87 59.85 3khh n SER 1207Cb 0.29 1.15 -0.03 0.00 -1.01 0.00 0.00 64.21 64.61 3khh n SER 1207CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3khh s ILE 1208N -3.40 5.15 0.46 0.44 2.07 -1.22 -5.08 121.20 119.62 3khh s ILE 1208Ca -0.04 -0.23 -0.22 0.00 -1.41 0.00 0.00 60.65 58.75 3khh s ILE 1208Cb 0.11 -3.73 -0.08 0.00 0.13 0.00 0.00 42.46 38.89 3khh s ILE 1208CO 0.85 -0.22 1.08 -0.70 -1.91 0.00 0.00 174.94 174.04 3khh s GLU 1209N -3.38 3.83 0.13 3.50 -6.30 -1.26 -4.98 118.70 110.24 3khh s GLU 1209Ca 0.40 1.52 -0.16 0.00 -2.50 0.00 0.00 54.97 54.23 3khh s GLU 1209Cb -0.11 -2.27 -0.01 0.00 0.00 0.00 0.00 34.13 31.74 3khh s GLU 1209CO 0.29 -0.43 1.67 0.35 0.02 0.00 0.00 175.26 177.16 3khh h PHE 1210N 1.87 0.60 0.00 5.30 3.57 -1.98 -3.01 116.94 123.28 3khh h PHE 1210Ca -0.49 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 60.89 3khh h PHE 1210Cb 1.23 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 3khh h PHE 1210CO 0.56 0.54 -0.36 -0.44 -2.23 0.00 0.00 178.31 176.38 3khh h ASP 1211N 0.48 0.00 0.48 0.41 5.19 -1.97 0.41 116.42 121.42 3khh h ASP 1211Ca 0.13 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 3khh h ASP 1211Cb 0.20 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 3khh h ASP 1211CO -0.01 0.36 -0.27 0.50 -3.12 0.00 0.00 179.24 176.69 3khh h LYS 1212N 0.00 0.00 0.08 3.56 1.63 -1.94 -0.67 116.57 119.24 3khh h LYS 1212Ca -0.00 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.50 3khh h LYS 1212Cb 0.66 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 3khh h LYS 1212CO 0.05 0.27 -1.58 1.25 -3.45 0.00 0.00 179.45 175.99 3khh h LEU 1213N 0.00 0.27 -0.82 5.20 5.85 -1.08 -3.18 115.31 121.55 3khh h LEU 1213Ca -0.00 -0.78 0.18 0.00 0.84 0.00 0.00 57.88 58.12 3khh h LEU 1213Cb 0.59 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.42 3khh h LEU 1213CO 0.04 1.67 0.31 0.50 -0.34 0.00 0.00 178.44 180.62 3khh h LYS 1214N -0.39 0.37 -0.02 1.25 3.11 -0.23 -1.86 116.57 118.79 3khh h LYS 1214Ca -0.36 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.45 3khh h LYS 1214Cb 1.71 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.86 3khh h LYS 1214CO -0.02 0.25 0.00 0.78 -2.81 0.00 0.00 179.45 177.65 3khh h GLY 1215N 0.38 0.05 0.87 5.01 0.00 -1.26 -2.29 103.07 105.82 3khh h GLY 1215Ca 0.49 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 3khh h GLY 1215CO -0.50 0.03 0.03 1.98 0.00 0.00 0.00 176.54 178.09 3khh h MET 1216N -0.23 0.46 0.00 4.80 1.85 -1.34 -3.36 114.93 117.12 3khh h MET 1216Ca 0.01 -0.13 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 3khh h MET 1216Cb 0.29 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.27 3khh h MET 1216CO 0.00 0.59 0.00 0.44 -0.40 0.00 0.00 176.91 177.54 3khh n ILE 1217N -4.64 0.46 0.00 1.77 -5.35 -0.80 -5.06 119.36 105.73 3khh n ILE 1217Ca -0.03 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 3khh n ILE 1217Cb 0.22 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 3khh n ILE 1217CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khh n GLY 1218N -0.23 0.24 0.23 3.28 0.00 -0.86 -4.57 105.19 103.28 3khh n GLY 1218Ca 0.00 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 3khh n GLY 1218CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3khh h GLU 1219N 0.00 -0.49 -0.29 1.61 4.81 -1.89 -2.10 114.58 116.23 3khh h GLU 1219Ca 0.00 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3khh h GLU 1219Cb 0.00 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.42 3khh h GLU 1219CO 0.00 -0.17 -0.16 0.00 -0.73 0.00 0.00 179.01 177.95 3khh h ALA 1220N -0.40 0.06 0.00 2.92 0.00 -1.94 0.11 119.26 120.01 3khh h ALA 1220Ca -0.05 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3khh h ALA 1220Cb 0.54 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3khh h ALA 1220CO 0.08 -0.56 -0.37 0.87 0.00 0.00 0.00 179.25 179.28 3khh h LYS 1221N -0.13 0.00 -0.25 0.00 1.57 -1.80 -1.19 116.57 114.76 3khh h LYS 1221Ca 0.15 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.74 3khh h LYS 1221Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3khh h LYS 1221CO -0.37 0.37 -0.58 0.00 -0.57 0.00 0.00 179.45 178.30 3khh h ALA 1222N 1.63 0.41 -0.54 3.86 0.00 -0.58 -2.15 119.26 121.89 3khh h ALA 1222Ca -0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 3khh h ALA 1222Cb 0.70 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3khh h ALA 1222CO 0.05 0.65 -0.09 0.87 0.00 0.00 0.00 179.25 180.72 3khh h LYS 1223N 0.61 1.02 0.14 0.00 1.57 -0.56 -2.70 116.57 116.65 3khh h LYS 1223Ca 0.00 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 3khh h LYS 1223Cb 1.19 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3khh h LYS 1223CO 0.13 1.06 -0.07 -0.92 -0.57 0.00 0.00 179.45 179.08 3khh h TYR 1224N 0.90 -0.18 -0.77 -1.35 3.20 -1.25 -2.12 116.97 115.41 3khh h TYR 1224Ca 0.14 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3khh h TYR 1224Cb 0.66 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 3khh h TYR 1224CO 0.05 0.05 0.47 -0.07 -1.64 0.00 0.00 178.16 177.02 3khh h LEU 1225N -0.38 0.91 -0.37 2.82 3.38 -1.39 -1.91 115.31 118.37 3khh h LEU 1225Ca -0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3khh h LEU 1225Cb 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3khh h LEU 1225CO 0.03 0.69 0.07 0.40 0.09 0.00 0.00 178.44 179.73 3khh h ILE 1226N 1.04 1.23 -0.50 1.22 2.04 -1.48 -1.45 117.51 119.62 3khh h ILE 1226Ca 0.28 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 3khh h ILE 1226Cb -0.06 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3khh h ILE 1226CO -0.05 0.28 0.03 0.77 0.00 0.00 0.00 178.15 179.17 3khh h SER 1227N 0.45 0.78 0.12 1.72 4.64 -1.08 0.17 113.55 120.35 3khh h SER 1227Ca 0.11 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3khh h SER 1227Cb 0.34 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3khh h SER 1227CO 0.00 0.83 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.67 3khh h LEU 1228N 0.77 -0.13 -1.91 5.97 3.38 -1.30 0.32 115.31 122.40 3khh h LEU 1228Ca 0.15 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3khh h LEU 1228Cb 0.42 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3khh h LEU 1228CO 0.02 0.00 0.22 0.00 0.09 0.00 0.00 178.44 178.76 3khh h ALA 1229N 0.62 2.16 -0.00 1.53 0.00 -0.74 0.07 119.26 122.90 3khh h ALA 1229Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3khh h ALA 1229Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3khh h ALA 1229CO 0.03 -0.24 -0.20 0.54 0.00 0.00 0.00 179.25 179.38 3khh n ARG 1230N -4.47 0.12 -1.72 0.00 1.74 0.53 -4.89 116.66 107.98 3khh n ARG 1230Ca 0.04 -0.04 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 3khh n ARG 1230Cb 0.31 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.18 3khh n ARG 1230CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3khh n ASP 1231N -1.40 -5.42 0.08 0.55 2.03 0.01 -4.90 116.55 107.50 3khh n ASP 1231Ca 0.08 0.39 -0.22 0.00 0.52 0.00 0.00 54.79 55.56 3khh n ASP 1231Cb 0.33 -4.61 -0.12 0.00 -0.72 0.00 0.00 41.12 35.99 3khh n ASP 1231CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3khh h GLU 1232N 0.00 0.64 -6.31 -0.67 4.57 -0.68 -3.47 114.58 108.66 3khh h GLU 1232Ca -0.41 -0.82 -0.65 0.00 -1.18 0.00 0.00 59.36 56.29 3khh h GLU 1232Cb 1.29 0.27 0.09 0.00 -0.16 0.00 0.00 28.75 30.23 3khh h GLU 1232CO 0.58 1.37 0.15 0.98 -1.18 0.00 0.00 179.01 180.91 3khh n TYR 1233N -3.80 1.07 -1.62 0.92 9.36 0.03 -4.91 117.16 118.21 3khh n TYR 1233Ca -0.13 0.73 0.00 0.00 3.32 0.00 0.00 57.90 61.82 3khh n TYR 1233Cb 0.97 -2.23 0.00 0.00 -0.63 0.00 0.00 39.34 37.45 3khh n TYR 1233CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3khh n ASN 1234N 1.84 0.00 -4.63 2.98 5.15 -1.26 -4.96 115.26 114.38 3khh n ASN 1234Ca 0.15 -1.06 -0.52 0.00 -0.60 0.00 0.00 54.58 52.55 3khh n ASN 1234Cb 0.25 -0.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.43 3khh n ASN 1234CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3khh n GLU 1235N 0.00 1.40 -1.63 1.20 -0.58 -1.26 -4.93 120.64 114.84 3khh n GLU 1235Ca 0.00 0.51 -0.31 0.00 -0.42 0.00 0.00 57.16 56.94 3khh n GLU 1235Cb 0.51 -2.19 0.05 0.00 -0.57 0.00 0.00 31.44 29.23 3khh n GLU 1235CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3khh s PRO 1236N 1.37 3.01 -0.12 3.49 0.04 -1.26 -4.69 135.00 136.84 3khh s PRO 1236Ca 0.87 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 3khh s PRO 1236Cb -0.91 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.58 3khh s PRO 1236CO 0.49 -1.03 1.77 0.42 0.04 0.00 0.00 177.00 178.69 3khh s ILE 1237N -3.08 3.45 -0.21 0.56 1.09 -1.26 -4.99 121.20 116.76 3khh s ILE 1237Ca 0.58 0.52 -0.04 0.00 -1.10 0.00 0.00 60.65 60.60 3khh s ILE 1237Cb -0.13 -3.41 -0.02 0.00 -1.06 0.00 0.00 42.46 37.84 3khh s ILE 1237CO 0.55 -0.13 -0.02 0.00 -0.10 0.00 0.00 174.94 175.23 3khh s ARG 1238N 4.66 3.48 0.29 2.79 1.70 -1.26 -4.93 118.95 125.69 3khh s ARG 1238Ca 0.79 -0.58 0.03 0.00 -0.47 0.00 0.00 55.73 55.50 3khh s ARG 1238Cb -0.32 -3.04 0.46 0.00 -0.57 0.00 0.00 34.95 31.48 3khh s ARG 1238CO 0.32 -0.11 1.76 1.79 -1.08 0.00 0.00 175.30 177.98 3khh h THR 1239N 5.57 1.25 0.00 4.99 1.35 -1.95 -3.36 112.91 120.77 3khh h THR 1239Ca -0.38 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 3khh h THR 1239Cb 1.17 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3khh h THR 1239CO 0.60 0.37 0.00 0.54 -0.25 0.00 0.00 175.52 176.78 3khh n ARG 1240N -4.16 0.00 0.00 4.72 1.74 -1.26 -4.72 116.66 112.98 3khh n ARG 1240Ca 0.00 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 3khh n ARG 1240Cb 0.37 -0.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 3khh n ARG 1240CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3khh n VAL 1241N -1.15 0.00 -2.55 1.55 3.14 -1.26 -4.87 118.33 113.19 3khh n VAL 1241Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 3khh n VAL 1241Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 3khh n VAL 1241CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 3khh s ARG 1242N 0.00 4.21 -0.10 1.45 6.06 -1.26 -4.89 118.95 124.42 3khh s ARG 1242Ca 0.00 1.44 0.09 0.00 -2.50 0.00 0.00 55.73 54.76 3khh s ARG 1242Cb 0.00 -3.71 -0.13 0.00 0.06 0.00 0.00 34.95 31.17 3khh s ARG 1242CO 0.00 -0.71 0.04 1.63 -2.50 0.00 0.00 175.30 173.76 3khh n LYS 1243N 6.54 2.27 -3.79 5.12 4.01 -1.26 -4.97 118.16 126.09 3khh n LYS 1243Ca 0.13 -0.01 -0.13 0.00 -0.51 0.00 0.00 58.31 57.80 3khh n LYS 1243Cb 0.46 -1.26 -0.11 0.00 -0.51 0.00 0.00 35.03 33.61 3khh n LYS 1243CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3khh s SER 1244N -4.23 -0.20 -0.01 4.39 1.04 -1.26 -3.57 113.70 109.85 3khh s SER 1244Ca -0.05 0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.71 3khh s SER 1244Cb 0.03 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3khh s SER 1244CO 0.42 -0.20 -0.04 -0.63 0.98 0.00 0.00 173.24 173.76 3khh s ILE 1245N -0.39 0.39 0.26 -1.02 -1.09 0.03 -4.97 121.20 114.41 3khh s ILE 1245Ca -0.05 -0.16 -0.13 0.00 -2.23 0.00 0.00 60.65 58.08 3khh s ILE 1245Cb -0.03 -0.36 0.05 0.00 -1.58 0.00 0.00 42.46 40.54 3khh s ILE 1245CO 0.01 0.13 0.66 0.61 -1.23 0.00 0.00 174.94 175.12 3khh n GLY 1246N 3.25 1.09 3.62 6.18 0.00 -1.26 0.34 105.19 118.42 3khh n GLY 1246Ca -0.16 -1.17 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 3khh n GLY 1246CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3khh s ARG 1247N -2.06 0.69 -0.13 1.61 6.06 -0.68 -4.80 118.95 119.64 3khh s ARG 1247Ca 0.14 1.22 -0.00 0.00 -2.50 0.00 0.00 55.73 54.58 3khh s ARG 1247Cb -0.03 0.16 0.03 0.00 0.06 0.00 0.00 34.95 35.17 3khh s ARG 1247CO 0.08 -0.15 -0.07 0.96 -2.50 0.00 0.00 175.30 173.61 3khh s ILE 1248N 1.68 1.08 -0.07 4.11 -4.36 -1.26 -1.50 121.20 120.89 3khh s ILE 1248Ca -0.10 -0.39 -0.06 0.00 -0.26 0.00 0.00 60.65 59.83 3khh s ILE 1248Cb -0.05 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.48 3khh s ILE 1248CO -0.20 0.32 0.19 0.68 0.24 0.00 0.00 174.94 176.17 3khh s VAL 1249N 1.68 5.43 0.11 8.37 -7.23 0.28 -4.87 120.40 124.17 3khh s VAL 1249Ca 0.04 0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 3khh s VAL 1249Cb -0.13 -3.48 -0.06 0.00 0.56 0.00 0.00 36.38 33.27 3khh s VAL 1249CO -0.08 0.51 0.96 -0.89 -0.31 0.00 0.00 175.10 175.29 3khh s THR 1250N -1.14 4.52 0.55 5.32 2.01 -1.26 -1.40 115.64 124.24 3khh s THR 1250Ca 0.20 2.06 -0.05 0.00 0.31 0.00 0.00 61.69 64.22 3khh s THR 1250Cb -0.13 -4.32 -0.00 0.00 0.01 0.00 0.00 72.50 68.06 3khh s THR 1250CO 0.10 0.31 0.85 -0.04 -0.69 0.00 0.00 174.62 175.15 3khh s MET 1251N 0.03 3.04 0.23 4.92 -1.94 -0.60 -4.99 119.30 119.99 3khh s MET 1251Ca 0.47 -0.05 -0.05 0.00 -1.71 0.00 0.00 55.69 54.35 3khh s MET 1251Cb -0.23 -2.33 0.22 0.00 2.01 0.00 0.00 34.83 34.49 3khh s MET 1251CO 0.30 -0.55 1.70 0.87 -0.01 0.00 0.00 175.02 177.32 3khh h LYS 1252N -0.02 0.88 -4.26 2.03 1.57 -1.86 -3.43 116.57 111.48 3khh h LYS 1252Ca -0.46 -0.27 -0.18 0.00 -1.87 0.00 0.00 60.65 57.87 3khh h LYS 1252Cb 1.25 -0.08 -0.19 0.00 0.08 0.00 0.00 32.23 33.29 3khh h LYS 1252CO 0.60 0.90 -0.70 -0.98 -0.57 0.00 0.00 179.45 178.71 3khh s ARG 1253N -4.92 0.50 0.19 3.15 1.70 -1.26 -4.24 118.95 114.07 3khh s ARG 1253Ca -0.10 -0.90 -0.31 0.00 -0.47 0.00 0.00 55.73 53.95 3khh s ARG 1253Cb 0.14 0.01 -0.10 0.00 -0.57 0.00 0.00 34.95 34.43 3khh s ARG 1253CO 0.83 -0.04 1.52 -0.80 -1.08 0.00 0.00 175.30 175.73 3khh s ASN 1254N -2.08 6.61 0.07 -2.89 -0.87 -1.26 -4.88 114.94 109.65 3khh s ASN 1254Ca -0.05 2.63 -0.07 0.00 -1.57 0.00 0.00 52.86 53.79 3khh s ASN 1254Cb -0.03 -2.60 -0.01 0.00 -0.02 0.00 0.00 41.25 38.59 3khh s ASN 1254CO -0.04 -0.78 0.15 -0.55 -2.57 0.00 0.00 177.10 173.31 3khh s SER 1255N 0.89 0.17 0.00 -1.22 0.15 -0.26 -4.83 113.70 108.60 3khh s SER 1255Ca 0.66 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.64 3khh s SER 1255Cb -0.43 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 3khh s SER 1255CO 0.35 -0.68 0.25 0.54 1.20 0.00 0.00 173.24 174.91 3khh n ARG 1256N 0.09 1.04 -2.47 5.44 1.74 -1.26 0.10 116.66 121.34 3khh n ARG 1256Ca -0.15 -0.25 -0.43 0.00 -0.77 0.00 0.00 57.85 56.24 3khh n ARG 1256Cb 0.62 -0.71 -0.02 0.00 -1.02 0.00 0.00 32.46 31.32 3khh n ARG 1256CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3khh s ASN 1257N -0.22 6.77 0.26 0.55 2.47 -1.26 -4.93 114.94 118.57 3khh s ASN 1257Ca 0.00 1.24 -0.02 0.00 0.42 0.00 0.00 52.86 54.50 3khh s ASN 1257Cb 0.00 -2.54 0.47 0.00 -1.45 0.00 0.00 41.25 37.73 3khh s ASN 1257CO 0.00 -0.99 1.80 0.25 -3.72 0.00 0.00 177.10 174.44 3khh h LEU 1258N 10.54 0.70 -1.00 3.21 5.85 -1.99 -1.25 115.31 131.37 3khh h LEU 1258Ca -0.25 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 3khh h LEU 1258Cb 1.09 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3khh h LEU 1258CO 1.02 0.37 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.79 3khh h GLU 1259N 0.80 0.00 0.09 1.25 4.39 -2.00 -0.61 114.58 118.49 3khh h GLU 1259Ca 0.44 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.86 3khh h GLU 1259Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3khh h GLU 1259CO -0.28 0.37 -1.37 1.49 -1.16 0.00 0.00 179.01 178.06 3khh h GLU 1260N 0.00 0.19 0.09 2.33 4.81 -1.73 -3.34 114.58 116.92 3khh h GLU 1260Ca -0.00 -0.33 -0.27 0.00 -0.13 0.00 0.00 59.36 58.63 3khh h GLU 1260Cb 0.86 0.12 0.03 0.00 0.63 0.00 0.00 28.75 30.39 3khh h GLU 1260CO 0.05 1.07 -1.10 0.82 -0.73 0.00 0.00 179.01 179.12 3khh h ILE 1261N 0.05 1.31 -0.99 2.32 2.04 -1.16 -3.38 117.51 117.70 3khh h ILE 1261Ca -0.18 -2.38 0.16 0.00 1.00 0.00 0.00 64.86 63.47 3khh h ILE 1261Cb 1.96 2.67 -0.17 0.00 -0.74 0.00 0.00 36.82 40.54 3khh h ILE 1261CO 0.16 0.72 -0.36 0.11 0.00 0.00 0.00 178.15 178.78 3khh h LYS 1262N 0.20 -0.00 -0.62 2.37 1.57 -1.23 -0.08 116.57 118.78 3khh h LYS 1262Ca -0.16 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3khh h LYS 1262Cb 1.79 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.07 3khh h LYS 1262CO 0.21 -0.00 0.41 -1.35 -0.57 0.00 0.00 179.45 178.15 3khh h PRO 1263N -0.00 0.76 -0.24 3.15 0.11 -1.75 0.48 132.00 134.51 3khh h PRO 1263Ca 0.37 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.41 3khh h PRO 1263Cb 0.62 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3khh h PRO 1263CO -0.99 0.50 0.04 1.88 -0.21 0.00 0.00 178.00 179.22 3khh h TYR 1264N 0.78 0.42 -0.70 0.65 0.05 -1.27 -2.15 116.97 114.75 3khh h TYR 1264Ca 0.24 -0.06 0.05 0.00 0.05 0.00 0.00 58.73 59.01 3khh h TYR 1264Cb -0.00 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.57 3khh h TYR 1264CO -0.00 0.51 0.41 1.25 -1.05 0.00 0.00 178.16 179.28 3khh h LEU 1265N 0.20 0.64 -0.67 3.88 5.85 -0.36 -1.99 115.31 122.86 3khh h LEU 1265Ca 0.07 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3khh h LEU 1265Cb 0.31 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3khh h LEU 1265CO 0.00 0.42 0.01 -0.26 -0.34 0.00 0.00 178.44 178.28 3khh h PHE 1266N 0.77 1.13 -0.64 1.25 0.04 -0.89 -1.84 116.94 116.76 3khh h PHE 1266Ca 0.30 -0.19 0.02 0.00 2.80 0.00 0.00 57.97 60.91 3khh h PHE 1266Cb 0.13 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 3khh h PHE 1266CO -0.06 0.99 0.40 -0.09 -0.60 0.00 0.00 178.31 178.96 3khh h ARG 1267N 0.96 0.78 -0.49 1.51 2.43 -0.94 -0.12 114.38 118.50 3khh h ARG 1267Ca 0.17 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 3khh h ARG 1267Cb 0.53 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 3khh h ARG 1267CO 0.03 0.51 0.22 0.00 -1.51 0.00 0.00 179.97 179.22 3khh h ALA 1268N 1.27 0.62 0.17 2.80 0.00 -0.98 -0.98 119.26 122.16 3khh h ALA 1268Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3khh h ALA 1268Cb -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3khh h ALA 1268CO -0.09 -0.15 -0.08 0.82 0.00 0.00 0.00 179.25 179.74 3khh h ILE 1269N 0.43 0.90 -0.38 0.00 2.04 -0.65 -0.34 117.51 119.51 3khh h ILE 1269Ca 0.22 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.89 3khh h ILE 1269Cb 0.18 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 3khh h ILE 1269CO -0.19 0.07 -0.10 -0.33 0.00 0.00 0.00 178.15 177.60 3khh h GLU 1270N -0.36 -0.00 -0.83 2.37 4.39 -0.93 0.12 114.58 119.34 3khh h GLU 1270Ca -0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3khh h GLU 1270Cb 0.28 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3khh h GLU 1270CO 0.04 -0.00 0.39 0.93 -1.16 0.00 0.00 179.01 179.21 3khh h GLU 1271N -0.00 1.20 -0.69 2.33 5.08 -1.06 0.32 114.58 121.77 3khh h GLU 1271Ca 0.18 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3khh h GLU 1271Cb 0.28 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3khh h GLU 1271CO -0.39 0.93 0.21 0.77 -1.00 0.00 0.00 179.01 179.53 3khh h SER 1272N 1.19 1.01 0.05 1.42 0.02 -0.46 -1.77 113.55 115.01 3khh h SER 1272Ca 0.28 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 3khh h SER 1272Cb 0.13 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3khh h SER 1272CO -0.03 0.95 -0.40 1.88 -1.14 0.00 0.00 176.83 178.09 3khh h TYR 1273N 1.02 0.53 -0.23 3.45 0.05 -0.21 0.24 116.97 121.82 3khh h TYR 1273Ca 0.22 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 3khh h TYR 1273Cb 0.30 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3khh h TYR 1273CO 0.02 0.78 0.14 -0.92 -1.05 0.00 0.00 178.16 177.13 3khh h TYR 1274N 0.37 0.31 -0.44 4.88 3.20 -0.75 -2.47 116.97 122.07 3khh h TYR 1274Ca 0.03 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 3khh h TYR 1274Cb 0.86 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3khh h TYR 1274CO 0.03 0.24 -0.03 -0.22 -1.64 0.00 0.00 178.16 176.54 3khh h LYS 1275N 0.29 0.73 -0.40 1.82 3.64 -1.08 -3.08 116.57 118.48 3khh h LYS 1275Ca 0.08 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3khh h LYS 1275Cb 0.02 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3khh h LYS 1275CO -0.02 0.76 0.26 -0.07 -2.27 0.00 0.00 179.45 178.11 3khh h LEU 1276N 0.68 0.46 -3.27 5.20 3.38 -0.29 -3.48 115.31 117.99 3khh h LEU 1276Ca 0.13 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3khh h LEU 1276Cb 0.46 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3khh h LEU 1276CO 0.02 0.35 -1.04 -0.67 0.09 0.00 0.00 178.44 177.19 3khh n ASP 1277N -4.80 -6.45 0.00 -0.43 4.64 -0.95 -2.60 116.55 105.97 3khh n ASP 1277Ca 0.00 0.34 0.00 0.00 -1.38 0.00 0.00 54.79 53.76 3khh n ASP 1277Cb 0.03 -2.08 0.00 0.00 -1.04 0.00 0.00 41.12 38.03 3khh n ASP 1277CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3khh n LYS 1278N 0.76 0.00 -2.53 -0.67 4.76 -1.26 -4.96 118.16 114.25 3khh n LYS 1278Ca -0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 3khh n LYS 1278Cb 0.51 -0.42 -0.03 0.00 -1.84 0.00 0.00 35.03 33.24 3khh n LYS 1278CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3khh s ARG 1279N -0.04 4.54 -0.26 1.97 0.52 -1.07 -5.02 118.95 119.58 3khh s ARG 1279Ca 0.00 1.66 -0.04 0.00 -0.52 0.00 0.00 55.73 56.82 3khh s ARG 1279Cb 0.00 -3.35 0.01 0.00 0.52 0.00 0.00 34.95 32.13 3khh s ARG 1279CO 0.00 -0.06 0.01 0.42 0.02 0.00 0.00 175.30 175.69 3khh s ILE 1280N 0.50 3.48 0.46 1.52 1.01 -1.24 -4.89 121.20 122.04 3khh s ILE 1280Ca 0.53 -0.76 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 3khh s ILE 1280Cb -0.27 -2.74 -0.10 0.00 0.01 0.00 0.00 42.46 39.36 3khh s ILE 1280CO 0.31 0.19 0.98 -2.16 0.00 0.00 0.00 174.94 174.26 3khh s PRO 1281N 1.44 4.04 -0.00 2.79 0.04 -1.26 0.08 135.00 142.12 3khh s PRO 1281Ca 0.02 1.18 0.20 0.00 0.04 0.00 0.00 61.00 62.43 3khh s PRO 1281Cb -0.16 -2.14 -0.23 0.00 0.04 0.00 0.00 34.50 32.00 3khh s PRO 1281CO -0.01 -0.20 0.77 1.63 0.04 0.00 0.00 177.00 179.23 3khh n LYS 1282N -0.89 0.52 -4.69 4.56 5.02 0.40 -0.50 118.16 122.58 3khh n LYS 1282Ca 0.08 -0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 3khh n LYS 1282Cb 0.54 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 33.95 3khh n LYS 1282CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khh s ALA 1283N -2.94 1.27 0.02 7.82 0.00 -0.63 -0.30 121.76 126.98 3khh s ALA 1283Ca 0.05 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.46 3khh s ALA 1283Cb 0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3khh s ALA 1283CO 0.81 0.27 -0.18 -1.50 0.00 0.00 0.00 175.76 175.17 3khh s ILE 1284N -0.16 1.41 -0.06 0.00 2.07 -0.36 -1.52 121.20 122.58 3khh s ILE 1284Ca 0.02 -0.95 0.01 0.00 -1.41 0.00 0.00 60.65 58.32 3khh s ILE 1284Cb -0.08 -1.21 0.02 0.00 0.13 0.00 0.00 42.46 41.32 3khh s ILE 1284CO 0.00 0.24 -0.05 -1.00 -1.91 0.00 0.00 174.94 172.23 3khh s HIS 1285N -0.63 0.88 -0.03 3.50 3.76 0.06 -0.53 115.29 122.30 3khh s HIS 1285Ca 0.06 -0.29 -0.28 0.00 -0.15 0.00 0.00 55.06 54.40 3khh s HIS 1285Cb -0.08 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.80 3khh s HIS 1285CO 0.01 -0.26 0.90 0.08 -0.85 0.00 0.00 174.74 174.62 3khh s VAL 1286N 1.16 4.91 -0.14 -0.90 1.01 0.09 -0.62 120.40 125.90 3khh s VAL 1286Ca -0.07 1.88 0.02 0.00 0.00 0.00 0.00 61.98 63.82 3khh s VAL 1286Cb -0.14 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3khh s VAL 1286CO -0.01 0.17 -0.21 -0.69 0.00 0.00 0.00 175.10 174.36 3khh s VAL 1287N 1.03 2.13 -0.08 2.92 1.01 0.95 -1.30 120.40 127.06 3khh s VAL 1287Ca 0.48 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3khh s VAL 1287Cb -0.20 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3khh s VAL 1287CO 0.24 0.55 -0.17 0.00 0.00 0.00 0.00 175.10 175.72 3khh s ALA 1288N 0.83 2.49 -0.25 5.51 0.00 0.36 -1.43 121.76 129.28 3khh s ALA 1288Ca -0.06 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 3khh s ALA 1288Cb -0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 3khh s ALA 1288CO -0.02 0.42 0.09 0.08 0.00 0.00 0.00 175.76 176.32 3khh s VAL 1289N -0.21 4.46 0.79 0.00 1.01 0.69 -0.77 120.40 126.37 3khh s VAL 1289Ca -0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 3khh s VAL 1289Cb -0.13 -3.09 0.08 0.00 0.00 0.00 0.00 36.38 33.24 3khh s VAL 1289CO 0.03 0.33 1.14 0.42 0.00 0.00 0.00 175.10 177.02 3khh s THR 1290N 1.57 2.08 0.39 3.92 -4.23 0.17 0.22 115.64 119.77 3khh s THR 1290Ca 0.06 -0.09 0.19 0.00 -1.18 0.00 0.00 61.69 60.67 3khh s THR 1290Cb -0.15 -2.99 0.39 0.00 1.34 0.00 0.00 72.50 71.09 3khh s THR 1290CO 0.05 0.00 1.72 1.05 -0.54 0.00 0.00 174.62 176.90 3khh h GLU 1291N -0.96 0.34 -0.91 3.99 4.11 -0.86 0.30 114.58 120.59 3khh h GLU 1291Ca -0.45 -0.02 -0.40 0.00 0.07 0.00 0.00 59.36 58.56 3khh h GLU 1291Cb 1.32 -0.08 -0.24 0.00 0.50 0.00 0.00 28.75 30.25 3khh h GLU 1291CO 0.62 0.22 0.51 -0.40 0.07 0.00 0.00 179.01 180.03 3khh n ASP 1292N -4.73 4.20 -0.55 3.06 3.85 -1.26 -4.94 116.55 116.18 3khh n ASP 1292Ca 0.29 -3.45 -0.07 0.00 -0.71 0.00 0.00 54.79 50.85 3khh n ASP 1292Cb 0.98 -0.80 -0.03 0.00 -1.35 0.00 0.00 41.12 39.92 3khh n ASP 1292CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3khh n LEU 1293N -0.74 -0.14 -4.80 -2.12 4.77 0.10 -4.99 117.00 109.09 3khh n LEU 1293Ca 0.52 0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 56.34 3khh n LEU 1293Cb 1.56 -2.06 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 3khh n LEU 1293CO 0.54 -0.75 0.72 -0.62 -1.33 0.00 0.00 177.39 175.95 3khh s ASP 1294N -2.40 6.32 -0.23 -1.43 2.15 -1.26 -4.76 116.67 115.06 3khh s ASP 1294Ca 0.00 1.95 -0.09 0.00 0.43 0.00 0.00 52.55 54.85 3khh s ASP 1294Cb 0.00 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 3khh s ASP 1294CO 0.00 -0.79 0.11 -0.63 -0.17 0.00 0.00 175.17 173.68 3khh s ILE 1295N -1.95 4.81 -0.09 4.11 1.09 -1.26 -0.65 121.20 127.26 3khh s ILE 1295Ca 0.67 -0.01 0.04 0.00 -1.10 0.00 0.00 60.65 60.25 3khh s ILE 1295Cb -0.17 -3.24 0.00 0.00 -1.06 0.00 0.00 42.46 38.00 3khh s ILE 1295CO 0.21 0.36 -0.22 0.68 -0.10 0.00 0.00 174.94 175.87 3khh s VAL 1296N 1.20 1.87 0.13 2.92 -7.23 0.05 -4.99 120.40 114.35 3khh s VAL 1296Ca 0.06 -0.91 0.07 0.00 -1.81 0.00 0.00 61.98 59.39 3khh s VAL 1296Cb -0.14 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3khh s VAL 1296CO 0.04 0.52 -0.17 -0.94 -0.31 0.00 0.00 175.10 174.25 3khh s SER 1297N 0.41 2.28 -0.01 4.85 1.04 -1.26 -0.49 113.70 120.53 3khh s SER 1297Ca -0.18 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.48 3khh s SER 1297Cb -0.18 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.84 3khh s SER 1297CO 0.08 -0.06 -0.04 -0.13 0.98 0.00 0.00 173.24 174.07 3khh s ARG 1298N -2.47 0.37 0.28 4.02 1.81 -0.42 -5.01 118.95 117.52 3khh s ARG 1298Ca 0.09 -0.11 0.02 0.00 -1.72 0.00 0.00 55.73 54.01 3khh s ARG 1298Cb -0.07 -0.38 -0.03 0.00 -0.45 0.00 0.00 34.95 34.02 3khh s ARG 1298CO 0.04 0.05 0.25 0.20 -0.68 0.00 0.00 175.30 175.15 3khh s GLY 1299N 0.13 1.84 -0.13 -3.53 0.00 -1.26 -0.73 107.32 103.63 3khh s GLY 1299Ca -0.01 -1.83 -0.15 0.00 0.00 0.00 0.00 44.72 42.73 3khh s GLY 1299CO -0.00 -1.37 0.41 -1.60 0.00 0.00 0.00 173.10 170.54 3khh s ARG 1300N -3.71 0.53 -0.18 2.90 3.52 0.31 -4.98 118.95 117.33 3khh s ARG 1300Ca 0.38 0.46 -0.03 0.00 -0.13 0.00 0.00 55.73 56.41 3khh s ARG 1300Cb 0.04 0.25 -0.02 0.00 -1.56 0.00 0.00 34.95 33.66 3khh s ARG 1300CO 0.20 -0.08 -0.05 0.99 -0.81 0.00 0.00 175.30 175.55 3khh s THR 1301N -0.04 3.57 0.16 4.11 2.01 -1.26 -1.22 115.64 122.97 3khh s THR 1301Ca -0.02 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.53 3khh s THR 1301Cb -0.03 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 3khh s THR 1301CO 0.01 0.46 0.32 -0.36 -0.69 0.00 0.00 174.62 174.37 3khh s PHE 1302N 0.84 3.49 -1.46 4.92 0.40 0.59 -4.99 117.98 121.77 3khh s PHE 1302Ca -0.01 0.25 0.23 0.00 -0.60 0.00 0.00 56.93 56.80 3khh s PHE 1302Cb -0.15 -1.77 1.17 0.00 0.51 0.00 0.00 43.02 42.78 3khh s PHE 1302CO 0.01 0.46 1.75 -0.35 0.70 0.00 0.00 175.22 177.80 3khh n PRO 1303N -0.45 0.35 -4.30 0.24 -0.04 -1.26 -4.82 135.00 124.72 3khh n PRO 1303Ca -0.06 0.07 -0.18 0.00 -0.04 0.00 0.00 63.50 63.29 3khh n PRO 1303Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 3khh n PRO 1303CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3khh s HIS 1304N -2.54 1.61 0.70 0.54 -3.43 -1.26 -5.14 115.29 105.77 3khh s HIS 1304Ca 0.22 -1.50 -0.14 0.00 -0.80 0.00 0.00 55.06 52.84 3khh s HIS 1304Cb 0.15 -0.76 0.02 0.00 -1.43 0.00 0.00 32.58 30.57 3khh s HIS 1304CO 0.34 -0.69 1.14 0.20 -2.00 0.00 0.00 174.74 173.74 3khh s GLY 1305N -3.35 2.15 -0.28 -1.38 0.00 -1.26 -4.55 107.32 98.64 3khh s GLY 1305Ca 0.38 0.63 -0.06 0.00 0.00 0.00 0.00 44.72 45.66 3khh s GLY 1305CO 0.21 1.00 0.06 -0.42 0.00 0.00 0.00 173.10 173.95 3khh s ILE 1306N -2.30 3.89 0.72 0.90 1.01 0.34 -4.96 121.20 120.81 3khh s ILE 1306Ca 0.69 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 3khh s ILE 1306Cb -0.23 -2.96 0.03 0.00 0.01 0.00 0.00 42.46 39.31 3khh s ILE 1306CO 0.45 0.15 1.08 -0.94 0.00 0.00 0.00 174.94 175.67 3khh s SER 1307N 1.50 5.00 0.21 3.58 1.04 -1.26 -4.53 113.70 119.24 3khh s SER 1307Ca 0.03 1.74 -0.09 0.00 0.48 0.00 0.00 55.95 58.11 3khh s SER 1307Cb -0.17 -2.51 0.28 0.00 0.10 0.00 0.00 66.02 63.72 3khh s SER 1307CO 0.02 -1.70 1.79 0.50 0.98 0.00 0.00 173.24 174.82 3khh h LYS 1308N -0.81 0.58 -0.79 4.02 3.64 -1.99 -1.86 116.57 119.37 3khh h LYS 1308Ca -0.44 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 58.97 3khh h LYS 1308Cb 1.22 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 3khh h LYS 1308CO 0.54 0.39 0.47 0.93 -2.27 0.00 0.00 179.45 179.51 3khh h GLU 1309N 0.60 0.82 -0.14 1.90 3.07 -2.01 -1.17 114.58 117.66 3khh h GLU 1309Ca 0.31 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3khh h GLU 1309Cb 0.28 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3khh h GLU 1309CO -0.23 0.54 0.08 1.15 -1.40 0.00 0.00 179.01 179.15 3khh h THR 1310N 0.84 1.10 -0.79 1.13 2.02 -1.81 -3.05 112.91 112.36 3khh h THR 1310Ca 0.35 -0.27 0.14 0.00 0.77 0.00 0.00 66.41 67.40 3khh h THR 1310Cb 0.21 1.02 -0.09 0.00 -1.74 0.00 0.00 68.15 67.54 3khh h THR 1310CO -0.19 0.09 0.36 0.00 0.37 0.00 0.00 175.52 176.16 3khh h ALA 1311N 0.97 1.15 0.31 6.16 0.00 -0.54 0.24 119.26 127.55 3khh h ALA 1311Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3khh h ALA 1311Cb 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3khh h ALA 1311CO -0.01 -0.15 -0.40 1.88 0.00 0.00 0.00 179.25 180.58 3khh h TYR 1312N 0.53 -1.09 -0.06 0.00 0.05 -1.15 0.23 116.97 115.47 3khh h TYR 1312Ca 0.43 0.01 -0.20 0.00 0.05 0.00 0.00 58.73 59.02 3khh h TYR 1312Cb 0.62 0.44 -0.00 0.00 1.01 0.00 0.00 36.73 38.79 3khh h TYR 1312CO -0.13 -0.54 -0.81 0.66 -1.05 0.00 0.00 178.16 176.30 3khh h SER 1313N -0.76 0.55 -0.13 3.88 4.64 -1.33 -2.57 113.55 117.83 3khh h SER 1313Ca -0.02 -0.39 -0.14 0.00 -0.47 0.00 0.00 61.79 60.78 3khh h SER 1313Cb 0.71 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3khh h SER 1313CO -0.11 1.16 -0.38 -0.08 -0.87 0.00 0.00 176.83 176.54 3khh h GLU 1314N 0.29 0.66 -0.23 4.77 4.57 -0.51 -2.75 114.58 121.38 3khh h GLU 1314Ca -0.05 -0.33 -0.10 0.00 -1.18 0.00 0.00 59.36 57.70 3khh h GLU 1314Cb 1.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 3khh h GLU 1314CO 0.14 0.93 -0.27 0.66 -1.18 0.00 0.00 179.01 179.30 3khh h SER 1315N 0.54 0.46 -0.58 1.04 4.64 -0.44 -2.27 113.55 116.94 3khh h SER 1315Ca 0.05 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 3khh h SER 1315Cb 0.90 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 3khh h SER 1315CO 0.08 0.72 0.21 0.58 -0.87 0.00 0.00 176.83 177.54 3khh h VAL 1316N 0.40 1.23 -0.20 0.95 2.07 -1.33 -0.50 116.25 118.87 3khh h VAL 1316Ca 0.06 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 66.85 3khh h VAL 1316Cb 0.68 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3khh h VAL 1316CO 0.05 0.29 -0.09 0.11 0.02 0.00 0.00 177.57 177.95 3khh h LYS 1317N 0.82 -0.07 -0.42 1.57 1.57 -1.18 -0.77 116.57 118.08 3khh h LYS 1317Ca 0.19 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3khh h LYS 1317Cb 0.25 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3khh h LYS 1317CO -0.01 -0.04 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.74 3khh h LEU 1318N -0.07 0.67 -0.79 2.94 3.38 -1.17 -0.48 115.31 119.79 3khh h LEU 1318Ca 0.11 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3khh h LEU 1318Cb 0.23 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3khh h LEU 1318CO -0.24 0.75 0.11 0.25 0.09 0.00 0.00 178.44 179.40 3khh h LEU 1319N 0.65 0.98 -1.19 1.67 5.85 -0.82 -0.85 115.31 121.60 3khh h LEU 1319Ca 0.13 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3khh h LEU 1319Cb 0.44 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3khh h LEU 1319CO 0.02 0.97 -0.07 1.56 -0.34 0.00 0.00 178.44 180.58 3khh h GLN 1320N 0.97 0.48 -0.09 1.25 4.20 -0.46 -0.42 115.11 121.03 3khh h GLN 1320Ca 0.20 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 3khh h GLN 1320Cb 0.40 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3khh h GLN 1320CO 0.01 0.56 -0.48 -0.22 -0.67 0.00 0.00 178.83 178.03 3khh h LYS 1321N 0.45 0.23 0.10 1.46 3.64 -0.61 -1.20 116.57 120.64 3khh h LYS 1321Ca 0.09 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3khh h LYS 1321Cb 0.40 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3khh h LYS 1321CO 0.02 0.66 -0.05 0.82 -2.27 0.00 0.00 179.45 178.63 3khh h ILE 1322N 0.18 1.11 -0.73 2.00 2.04 -0.74 -2.74 117.51 118.62 3khh h ILE 1322Ca 0.01 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 64.98 3khh h ILE 1322Cb 0.92 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 3khh h ILE 1322CO 0.07 0.22 0.48 -0.07 0.00 0.00 0.00 178.15 178.86 3khh h LEU 1323N -0.58 0.71 0.00 1.44 4.07 -0.98 0.54 115.31 120.51 3khh h LEU 1323Ca -0.01 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 3khh h LEU 1323Cb 0.47 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 3khh h LEU 1323CO 0.02 0.47 -0.16 -0.33 -1.08 0.00 0.00 178.44 177.37 3khh h GLU 1324N 0.82 0.00 0.00 1.13 5.08 -1.28 -3.35 114.58 116.97 3khh h GLU 1324Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3khh h GLU 1324Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3khh h GLU 1324CO -0.10 0.14 -1.09 0.39 -1.00 0.00 0.00 179.01 177.35 3khh n GLU 1325N -3.13 1.55 -4.45 2.33 1.02 -0.81 -4.90 120.64 112.25 3khh n GLU 1325Ca 0.03 -0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.87 3khh n GLU 1325Cb 0.59 -1.24 -0.17 0.00 -0.02 0.00 0.00 31.44 30.61 3khh n GLU 1325CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3khh s ASP 1326N -2.89 1.85 0.07 1.62 2.15 0.12 -5.04 116.67 114.55 3khh s ASP 1326Ca 0.01 -0.30 0.25 0.00 0.43 0.00 0.00 52.55 52.94 3khh s ASP 1326Cb 0.10 -0.83 0.59 0.00 -0.30 0.00 0.00 42.92 42.48 3khh s ASP 1326CO 0.58 0.00 1.50 1.21 -0.17 0.00 0.00 175.17 178.29 3khh n GLU 1327N 4.03 0.14 -2.20 4.34 2.13 -1.26 -4.51 120.64 123.32 3khh n GLU 1327Ca -0.21 0.06 -0.33 0.00 0.66 0.00 0.00 57.16 57.34 3khh n GLU 1327Cb 0.51 -1.61 -0.00 0.00 0.27 0.00 0.00 31.44 30.61 3khh n GLU 1327CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3khh s ARG 1328N -3.08 3.48 0.49 5.31 0.52 -1.26 -5.05 118.95 119.37 3khh s ARG 1328Ca 0.10 1.23 -0.22 0.00 -0.52 0.00 0.00 55.73 56.32 3khh s ARG 1328Cb 0.16 -2.05 -0.07 0.00 0.52 0.00 0.00 34.95 33.50 3khh s ARG 1328CO 0.67 -0.68 1.18 0.15 0.02 0.00 0.00 175.30 176.64 3khh s LYS 1329N -3.86 3.57 -0.15 3.54 1.02 -1.26 -4.90 119.74 117.70 3khh s LYS 1329Ca 0.64 1.78 -0.09 0.00 0.02 0.00 0.00 55.97 58.32 3khh s LYS 1329Cb -0.16 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 3khh s LYS 1329CO 0.32 -0.71 0.17 0.42 -0.92 0.00 0.00 175.35 174.63 3khh s ILE 1330N -1.58 5.42 -0.27 2.17 1.01 0.11 -0.16 121.20 127.91 3khh s ILE 1330Ca 0.67 0.28 -0.04 0.00 0.00 0.00 0.00 60.65 61.56 3khh s ILE 1330Cb -0.29 -3.47 -0.15 0.00 0.01 0.00 0.00 42.46 38.56 3khh s ILE 1330CO 0.34 0.53 -0.28 -1.14 0.00 0.00 0.00 174.94 174.39 3khh n ARG 1331N 2.70 0.63 -4.65 2.79 0.63 0.13 -1.10 116.66 117.79 3khh n ARG 1331Ca -0.17 0.19 -0.22 0.00 -0.92 0.00 0.00 57.85 56.72 3khh n ARG 1331Cb 0.53 -1.51 -0.15 0.00 0.45 0.00 0.00 32.46 31.79 3khh n ARG 1331CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3khh s ARG 1332N -2.52 1.16 0.04 -0.14 0.52 -0.74 -1.56 118.95 115.72 3khh s ARG 1332Ca -0.36 -0.53 0.04 0.00 -0.52 0.00 0.00 55.73 54.37 3khh s ARG 1332Cb 0.11 -1.12 -0.02 0.00 0.52 0.00 0.00 34.95 34.44 3khh s ARG 1332CO 0.56 0.31 -0.13 -1.50 0.02 0.00 0.00 175.30 174.56 3khh s ILE 1333N -0.36 1.02 -0.00 1.52 1.10 -0.49 -0.22 121.20 123.76 3khh s ILE 1333Ca 0.05 -1.04 -0.01 0.00 -0.51 0.00 0.00 60.65 59.14 3khh s ILE 1333Cb -0.06 -0.95 0.00 0.00 0.15 0.00 0.00 42.46 41.61 3khh s ILE 1333CO -0.00 -0.08 0.05 0.61 -2.11 0.00 0.00 174.94 173.40 3khh n GLY 1334N 1.76 0.48 3.18 1.50 0.00 -0.51 -0.55 105.19 111.04 3khh n GLY 1334Ca -0.19 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 3khh n GLY 1334CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khh s VAL 1335N -2.06 0.04 -0.03 1.61 0.11 -0.56 -0.04 120.40 119.47 3khh s VAL 1335Ca 0.01 -0.34 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 3khh s VAL 1335Cb -0.00 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 3khh s VAL 1335CO -0.00 -0.19 -0.08 -0.60 -3.33 0.00 0.00 175.10 170.90 3khh s ARG 1336N -0.77 0.98 -0.07 1.54 3.52 0.21 -1.68 118.95 122.68 3khh s ARG 1336Ca -0.09 -0.27 0.03 0.00 -0.13 0.00 0.00 55.73 55.28 3khh s ARG 1336Cb -0.04 -0.91 -0.02 0.00 -1.56 0.00 0.00 34.95 32.41 3khh s ARG 1336CO 0.02 0.06 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.35 3khh s PHE 1337N 0.38 2.66 0.33 5.12 0.08 0.15 -0.76 117.98 125.95 3khh s PHE 1337Ca -0.06 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 56.59 3khh s PHE 1337Cb -0.10 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 3khh s PHE 1337CO 0.01 -0.03 0.36 -1.13 -0.10 0.00 0.00 175.22 174.33 3khh n SER 1338N 2.81 -0.96 -3.28 1.36 3.41 -0.58 -0.79 113.62 115.59 3khh n SER 1338Ca -0.17 -3.02 -0.12 0.00 -0.26 0.00 0.00 58.87 55.30 3khh n SER 1338Cb 0.52 1.99 0.03 0.00 -0.26 0.00 0.00 64.21 66.49 3khh n SER 1338CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3khh n LYS 1339N -0.60 -1.62 -2.77 4.33 5.02 -1.23 -1.61 118.16 119.68 3khh n LYS 1339Ca 0.05 1.08 -0.40 0.00 -2.02 0.00 0.00 58.31 57.01 3khh n LYS 1339Cb 0.58 -5.24 -0.05 0.00 -0.02 0.00 0.00 35.03 30.30 3khh n LYS 1339CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3khh s PHE 1340N -3.19 3.90 -2.00 2.13 0.08 -1.26 -0.45 117.98 117.18 3khh s PHE 1340Ca 0.22 1.83 0.14 0.00 0.12 0.00 0.00 56.93 59.24 3khh s PHE 1340Cb -0.04 -2.99 0.83 0.00 -0.57 0.00 0.00 43.02 40.25 3khh s PHE 1340CO 0.78 0.35 1.25 -0.89 -0.10 0.00 0.00 175.22 176.61