#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjh s MET 1004N 0.00 0.22 -1.14 5.55 -2.45 -1.26 -5.08 119.30 115.15 1mjh s MET 1004Ca 0.00 0.44 -0.08 0.00 -1.25 0.00 0.00 55.69 54.80 1mjh s MET 1004Cb 0.00 -0.03 0.26 0.00 1.25 0.00 0.00 34.83 36.32 1mjh s MET 1004CO 0.00 -0.11 1.37 0.66 1.05 0.00 0.00 175.02 177.99 1mjh n TYR 1005N 3.73 4.00 0.03 4.11 4.01 -1.26 -4.74 117.16 127.04 1mjh n TYR 1005Ca -0.20 -3.28 -0.16 0.00 -0.16 0.00 0.00 57.90 54.09 1mjh n TYR 1005Cb 0.55 -1.66 -0.14 0.00 -0.31 0.00 0.00 39.34 37.78 1mjh n TYR 1005CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1mjh h LYS 1006N 6.22 0.21 -4.51 -0.72 3.64 -1.93 -3.47 116.57 116.00 1mjh h LYS 1006Ca 0.23 -0.36 -0.57 0.00 -1.27 0.00 0.00 60.65 58.69 1mjh h LYS 1006Cb 0.76 0.13 -0.36 0.00 -0.41 0.00 0.00 32.23 32.35 1mjh h LYS 1006CO 1.22 1.02 -0.82 0.21 -2.27 0.00 0.00 179.45 178.82 1mjh s LYS 1007N -2.60 1.98 -0.07 1.90 2.20 -1.26 -0.76 119.74 121.14 1mjh s LYS 1007Ca -0.12 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1mjh s LYS 1007Cb 0.07 -1.86 -0.03 0.00 -1.51 0.00 0.00 37.83 34.50 1mjh s LYS 1007CO 0.83 -0.21 -0.05 0.42 -0.36 0.00 0.00 175.35 175.97 1mjh s ILE 1008N 1.46 3.82 -0.23 5.43 1.01 -0.31 -0.73 121.20 131.64 1mjh s ILE 1008Ca 0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 1mjh s ILE 1008Cb -0.13 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1mjh s ILE 1008CO -0.08 0.58 0.20 -0.22 0.00 0.00 0.00 174.94 175.42 1mjh s LEU 1009N -0.87 4.13 -0.40 2.97 2.96 -0.32 -0.03 118.68 127.11 1mjh s LEU 1009Ca 0.13 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1mjh s LEU 1009Cb -0.11 -2.17 0.12 0.00 0.50 0.00 0.00 46.19 44.53 1mjh s LEU 1009CO 0.02 0.05 0.16 -0.47 -1.32 0.00 0.00 176.35 174.79 1mjh s TYR 1010N 1.06 2.62 -0.13 5.38 5.04 -0.05 -1.20 117.35 130.08 1mjh s TYR 1010Ca 0.09 -2.58 -0.24 0.00 -2.44 0.00 0.00 57.07 51.91 1mjh s TYR 1010Cb -0.14 -2.31 -0.03 0.00 0.35 0.00 0.00 41.96 39.84 1mjh s TYR 1010CO 0.05 -0.84 0.75 -1.25 -1.34 0.00 0.00 175.55 172.92 1mjh s PRO 1011N 0.63 4.35 0.00 4.97 0.04 -1.26 -1.55 135.00 142.18 1mjh s PRO 1011Ca 0.14 0.90 0.06 0.00 0.04 0.00 0.00 61.00 62.14 1mjh s PRO 1011Cb -0.22 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 1mjh s PRO 1011CO -0.07 -0.14 -0.18 -0.08 0.04 0.00 0.00 177.00 176.56 1mjh s THR 1012N 1.52 1.40 -0.69 1.26 -1.32 0.11 -4.75 115.64 113.17 1mjh s THR 1012Ca 0.37 -0.84 0.15 0.00 -1.21 0.00 0.00 61.69 60.15 1mjh s THR 1012Cb -0.17 -1.18 0.50 0.00 -1.51 0.00 0.00 72.50 70.14 1mjh s THR 1012CO 0.15 0.33 1.42 -0.90 -2.21 0.00 0.00 174.62 173.40 1mjh n ASP 1013N 2.46 3.78 -1.56 8.08 5.75 -1.26 -4.37 116.55 129.43 1mjh n ASP 1013Ca -0.15 -2.50 -0.17 0.00 -0.01 0.00 0.00 54.79 51.95 1mjh n ASP 1013Cb 0.54 -0.44 -0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1mjh n ASP 1013CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1mjh n PHE 1014N 0.29 -0.30 -2.52 2.11 3.72 -1.26 -4.84 117.46 114.65 1mjh n PHE 1014Ca 0.19 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.33 1mjh n PHE 1014Cb 0.72 -3.15 0.02 0.00 -0.94 0.00 0.00 39.48 36.14 1mjh n PHE 1014CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1mjh s SER 1015N -2.60 5.79 0.23 4.37 1.04 -1.26 -4.91 113.70 116.37 1mjh s SER 1015Ca 0.00 0.72 -0.06 0.00 0.48 0.00 0.00 55.95 57.09 1mjh s SER 1015Cb 0.00 -1.83 0.35 0.00 0.10 0.00 0.00 66.02 64.65 1mjh s SER 1015CO 0.00 -0.90 1.79 -0.08 0.98 0.00 0.00 173.24 175.04 1mjh h GLU 1016N -0.01 0.67 -0.48 4.02 4.81 -1.94 -1.45 114.58 120.20 1mjh h GLU 1016Ca -0.46 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 1mjh h GLU 1016Cb 1.24 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1mjh h GLU 1016CO 0.60 0.44 -0.15 1.15 -0.73 0.00 0.00 179.01 180.33 1mjh h THR 1017N 0.69 1.27 -0.67 0.32 2.02 -1.85 -2.46 112.91 112.22 1mjh h THR 1017Ca 0.37 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 66.28 1mjh h THR 1017Cb 0.35 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1mjh h THR 1017CO -0.25 0.44 0.44 0.00 0.37 0.00 0.00 175.52 176.53 1mjh h ALA 1018N 1.01 1.54 -0.08 6.16 0.00 -1.67 -1.24 119.26 124.98 1mjh h ALA 1018Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1mjh h ALA 1018Cb 0.69 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1mjh h ALA 1018CO 0.05 0.42 -0.20 0.93 0.00 0.00 0.00 179.25 180.45 1mjh h GLU 1019N 0.89 0.13 -0.35 0.00 4.39 -0.89 -1.72 114.58 117.02 1mjh h GLU 1019Ca 0.25 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1mjh h GLU 1019Cb -0.07 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1mjh h GLU 1019CO -0.06 0.33 0.15 0.82 -1.16 0.00 0.00 179.01 179.10 1mjh h ILE 1020N 0.12 1.18 -0.37 3.13 2.04 -0.81 -2.68 117.51 120.12 1mjh h ILE 1020Ca 0.02 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1mjh h ILE 1020Cb 0.43 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1mjh h ILE 1020CO 0.03 0.19 0.25 0.00 0.00 0.00 0.00 178.15 178.62 1mjh h ALA 1021N 1.00 1.94 -0.85 1.87 0.00 -0.94 -1.50 119.26 120.77 1mjh h ALA 1021Ca 0.12 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1mjh h ALA 1021Cb 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1mjh h ALA 1021CO -0.01 0.00 0.55 1.25 0.00 0.00 0.00 179.25 181.05 1mjh h LEU 1022N 0.33 0.79 -1.04 0.00 5.85 -0.97 -1.70 115.31 118.57 1mjh h LEU 1022Ca 0.16 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1mjh h LEU 1022Cb 0.22 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 1mjh h LEU 1022CO -0.03 0.49 0.63 0.11 -0.34 0.00 0.00 178.44 179.29 1mjh h LYS 1023N 0.88 1.01 -0.10 1.25 1.57 -1.28 -1.38 116.57 118.52 1mjh h LYS 1023Ca 0.38 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.90 1mjh h LYS 1023Cb 0.32 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1mjh h LYS 1023CO -0.15 0.67 -0.75 0.45 -0.57 0.00 0.00 179.45 179.10 1mjh h HIS 1024N 1.04 0.74 -0.55 -1.35 3.86 -1.36 -1.99 115.15 115.54 1mjh h HIS 1024Ca 0.47 -0.33 0.06 0.00 -1.16 0.00 0.00 60.37 59.40 1mjh h HIS 1024Cb 0.38 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.68 1mjh h HIS 1024CO -0.00 1.12 0.26 0.28 0.86 0.00 0.00 177.93 180.45 1mjh h VAL 1025N 0.37 0.92 -0.63 2.45 2.07 -0.83 -1.42 116.25 119.18 1mjh h VAL 1025Ca -0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1mjh h VAL 1025Cb 1.35 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1mjh h VAL 1025CO 0.14 0.09 0.36 0.11 0.02 0.00 0.00 177.57 178.29 1mjh h LYS 1026N 0.50 0.85 0.00 1.57 1.57 -1.16 -2.43 116.57 117.48 1mjh h LYS 1026Ca 0.25 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1mjh h LYS 1026Cb 0.19 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1mjh h LYS 1026CO -0.19 0.62 -0.02 0.00 -0.57 0.00 0.00 179.45 179.29 1mjh h ALA 1027N 1.53 1.02 0.00 3.86 0.00 -0.49 -2.08 119.26 123.10 1mjh h ALA 1027Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1mjh h ALA 1027Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mjh h ALA 1027CO -0.04 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.42 1mjh n PHE 1028N -3.14 0.00 -2.01 0.00 3.01 -0.91 -4.83 117.46 109.58 1mjh n PHE 1028Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1mjh n PHE 1028Cb 0.23 -0.48 -0.03 0.00 -0.01 0.00 0.00 39.48 39.20 1mjh n PHE 1028CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1mjh s LYS 1029N -2.96 4.26 0.00 -1.08 2.47 -0.78 -5.03 119.74 116.61 1mjh s LYS 1029Ca 0.12 2.29 0.00 0.00 -1.56 0.00 0.00 55.97 56.82 1mjh s LYS 1029Cb 0.15 -3.14 0.00 0.00 -1.46 0.00 0.00 37.83 33.38 1mjh s LYS 1029CO 0.41 -0.48 0.00 0.25 0.16 0.00 0.00 175.35 175.69 1mjh n THR 1030N 3.06 0.00 0.68 3.43 -2.24 -1.26 -5.03 114.28 112.92 1mjh n THR 1030Ca 0.10 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 1mjh n THR 1030Cb 0.40 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 68.97 1mjh n THR 1030CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1mjh n LEU 1031N 0.00 0.66 -4.90 3.22 4.77 -1.26 -4.88 117.00 114.61 1mjh n LEU 1031Ca 0.00 0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 56.09 1mjh n LEU 1031Cb 0.00 -0.29 0.14 0.00 -2.33 0.00 0.00 43.42 40.94 1mjh n LEU 1031CO 0.00 -0.09 0.82 -0.54 -1.33 0.00 0.00 177.39 176.24 1mjh s LYS 1032N -3.10 1.28 -0.04 3.23 1.02 -1.26 -5.02 119.74 115.85 1mjh s LYS 1032Ca 0.09 -0.10 -0.28 0.00 0.02 0.00 0.00 55.97 55.71 1mjh s LYS 1032Cb 0.14 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.53 1mjh s LYS 1032CO 0.64 -2.03 0.91 0.00 -0.92 0.00 0.00 175.35 173.94 1mjh s ALA 1033N -3.67 3.25 0.05 5.17 0.00 -1.26 -5.05 121.76 120.24 1mjh s ALA 1033Ca 0.67 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 1mjh s ALA 1033Cb -0.08 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1mjh s ALA 1033CO 0.51 -0.27 -0.01 -1.21 0.00 0.00 0.00 175.76 174.78 1mjh s GLU 1034N 1.14 0.57 0.01 0.00 8.01 -1.26 -4.90 118.70 122.27 1mjh s GLU 1034Ca 0.47 -1.08 0.04 0.00 0.01 0.00 0.00 54.97 54.41 1mjh s GLU 1034Cb -0.20 0.20 -0.01 0.00 -4.31 0.00 0.00 34.13 29.81 1mjh s GLU 1034CO 0.23 -0.11 -0.11 -2.00 0.01 0.00 0.00 175.26 173.28 1mjh s GLU 1035N -3.42 0.85 -0.11 1.61 2.12 0.06 -1.72 118.70 118.09 1mjh s GLU 1035Ca 0.02 -0.50 0.01 0.00 0.36 0.00 0.00 54.97 54.87 1mjh s GLU 1035Cb 0.04 -0.82 -0.01 0.00 0.26 0.00 0.00 34.13 33.60 1mjh s GLU 1035CO -0.08 0.22 -0.16 0.08 -0.54 0.00 0.00 175.26 174.78 1mjh s VAL 1036N -0.47 2.83 -0.49 3.70 1.01 0.40 -1.17 120.40 126.21 1mjh s VAL 1036Ca 0.03 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 1mjh s VAL 1036Cb -0.05 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.21 1mjh s VAL 1036CO 0.00 0.54 0.74 -0.63 0.00 0.00 0.00 175.10 175.75 1mjh s ILE 1037N 0.16 4.70 -0.33 2.22 -1.09 0.95 -1.13 121.20 126.68 1mjh s ILE 1037Ca -0.09 0.01 -0.13 0.00 -2.23 0.00 0.00 60.65 58.21 1mjh s ILE 1037Cb -0.15 -4.34 -0.02 0.00 -1.58 0.00 0.00 42.46 36.37 1mjh s ILE 1037CO 0.05 -0.82 0.27 -0.22 -1.23 0.00 0.00 174.94 173.00 1mjh s LEU 1038N 3.12 4.41 -0.09 2.97 2.96 0.33 -0.87 118.68 131.52 1mjh s LEU 1038Ca 0.23 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1mjh s LEU 1038Cb -0.15 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.34 1mjh s LEU 1038CO 0.17 -0.23 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.55 1mjh s LEU 1039N 1.82 1.94 -0.07 -0.68 2.96 -0.59 -0.10 118.68 123.95 1mjh s LEU 1039Ca 0.08 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1mjh s LEU 1039Cb -0.17 -1.21 -0.00 0.00 0.50 0.00 0.00 46.19 45.31 1mjh s LEU 1039CO 0.11 0.12 -0.21 -2.28 -1.32 0.00 0.00 176.35 172.77 1mjh s HIS 1040N 0.44 2.16 -0.22 5.38 5.65 -0.38 -0.71 115.29 127.60 1mjh s HIS 1040Ca -0.17 -0.78 -0.06 0.00 0.25 0.00 0.00 55.06 54.30 1mjh s HIS 1040Cb -0.17 -1.46 -0.03 0.00 -1.18 0.00 0.00 32.58 29.75 1mjh s HIS 1040CO 0.07 -0.30 0.04 0.08 -0.65 0.00 0.00 174.74 173.97 1mjh s VAL 1041N 0.25 4.18 -0.34 0.89 1.01 -1.26 -1.95 120.40 123.19 1mjh s VAL 1041Ca -0.12 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 1mjh s VAL 1041Cb -0.16 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1mjh s VAL 1041CO 0.06 0.39 1.17 -0.63 0.00 0.00 0.00 175.10 176.09 1mjh s ILE 1042N 1.25 4.32 -0.08 2.22 -1.09 0.89 -4.86 121.20 123.84 1mjh s ILE 1042Ca 0.04 1.48 -0.29 0.00 -2.23 0.00 0.00 60.65 59.65 1mjh s ILE 1042Cb -0.15 -4.34 -0.06 0.00 -1.58 0.00 0.00 42.46 36.33 1mjh s ILE 1042CO 0.02 -0.56 1.82 -0.62 -1.23 0.00 0.00 174.94 174.37 1mjh s ASP 1043N 2.23 6.40 0.35 3.58 -1.08 -1.25 -0.48 116.67 126.42 1mjh s ASP 1043Ca 0.50 2.22 0.16 0.00 -0.52 0.00 0.00 52.55 54.91 1mjh s ASP 1043Cb -0.13 -2.53 0.64 0.00 -1.46 0.00 0.00 42.92 39.44 1mjh s ASP 1043CO 0.21 -1.15 1.73 1.05 0.52 0.00 0.00 175.17 177.53 1mjh h GLU 1044N 10.76 0.00 -0.57 4.34 4.11 -1.40 -3.12 114.58 128.70 1mjh h GLU 1044Ca -0.42 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.93 1mjh h GLU 1044Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1mjh h GLU 1044CO 0.96 0.43 0.03 0.00 0.07 0.00 0.00 179.01 180.50 1mjh h ARG 1045N 0.00 0.96 -0.11 1.06 3.08 -1.90 -2.99 114.38 114.48 1mjh h ARG 1045Ca -0.00 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 1mjh h ARG 1045Cb 0.88 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1mjh h ARG 1045CO 0.06 0.93 0.01 0.93 -1.07 0.00 0.00 179.97 180.82 1mjh h GLU 1046N 0.89 0.19 -0.78 0.04 4.39 -1.95 -3.01 114.58 114.35 1mjh h GLU 1046Ca 0.17 -0.06 0.18 0.00 0.34 0.00 0.00 59.36 59.99 1mjh h GLU 1046Cb 0.48 -0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 28.98 1mjh h GLU 1046CO 0.02 0.43 -0.01 0.82 -1.16 0.00 0.00 179.01 179.11 1mjh h ILE 1047N -0.06 0.30 -1.77 3.13 2.04 -1.48 -3.52 117.51 116.14 1mjh h ILE 1047Ca 0.03 -0.03 -0.56 0.00 1.00 0.00 0.00 64.86 65.30 1mjh h ILE 1047Cb 0.34 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1mjh h ILE 1047CO 0.00 0.02 1.53 0.29 0.00 0.00 0.00 178.15 179.99 1mjh n LYS 1048N -5.37 1.61 0.00 2.37 5.02 -1.14 -5.11 118.16 115.55 1mjh n LYS 1048Ca 0.14 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1mjh n LYS 1048Cb 0.49 -3.20 0.00 0.00 -0.02 0.00 0.00 35.03 32.30 1mjh n LYS 1048CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1mjh n SER 1065N 12.67 0.00 0.39 4.39 2.88 -1.26 -5.13 113.62 127.55 1mjh n SER 1065Ca 0.33 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.69 1mjh n SER 1065Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.82 1mjh n SER 1065CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1mjh h VAL 1066N 0.00 0.28 -0.34 2.46 2.07 -2.06 0.18 116.25 118.85 1mjh h VAL 1066Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1mjh h VAL 1066Cb 0.00 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1mjh h VAL 1066CO 0.00 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.45 1mjh h GLU 1067N -0.97 0.37 -0.20 1.57 5.08 -2.06 -2.09 114.58 116.29 1mjh h GLU 1067Ca -0.09 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1mjh h GLU 1067Cb 0.75 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1mjh h GLU 1067CO 0.15 0.25 -0.10 0.93 -1.00 0.00 0.00 179.01 179.23 1mjh h GLU 1068N 0.38 -0.08 -0.84 2.33 5.08 -1.98 -1.72 114.58 117.76 1mjh h GLU 1068Ca 0.14 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.64 1mjh h GLU 1068Cb 0.02 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.20 1mjh h GLU 1068CO -0.08 -0.05 0.43 0.35 -1.00 0.00 0.00 179.01 178.66 1mjh h PHE 1069N -0.08 0.75 -0.31 4.33 3.57 -0.29 -1.46 116.94 123.45 1mjh h PHE 1069Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1mjh h PHE 1069Cb 0.25 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1mjh h PHE 1069CO -0.26 0.19 0.15 0.93 -2.23 0.00 0.00 178.31 177.09 1mjh h GLU 1070N 0.62 0.45 -0.24 1.11 4.39 -0.68 -1.86 114.58 118.37 1mjh h GLU 1070Ca 0.45 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1mjh h GLU 1070Cb 0.62 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1mjh h GLU 1070CO -0.35 0.42 0.15 -0.91 -1.16 0.00 0.00 179.01 177.16 1mjh h ASN 1071N 0.37 0.28 -0.72 1.42 2.35 -0.48 -0.26 115.58 118.54 1mjh h ASN 1071Ca 0.11 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1mjh h ASN 1071Cb 0.12 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1mjh h ASN 1071CO -0.01 0.22 0.30 -0.33 -1.65 0.00 0.00 177.43 175.95 1mjh h GLU 1072N 0.31 1.06 -0.47 0.81 5.08 -1.30 -1.37 114.58 118.70 1mjh h GLU 1072Ca 0.09 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1mjh h GLU 1072Cb -0.01 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1mjh h GLU 1072CO -0.02 0.87 0.16 1.25 -1.00 0.00 0.00 179.01 180.27 1mjh h LEU 1073N 1.02 0.67 -0.95 1.33 5.85 -1.10 -1.35 115.31 120.78 1mjh h LEU 1073Ca 0.24 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1mjh h LEU 1073Cb 0.19 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1mjh h LEU 1073CO -0.02 0.68 0.63 0.11 -0.34 0.00 0.00 178.44 179.50 1mjh h LYS 1074N 0.62 1.20 -0.44 1.25 1.57 -0.75 -1.31 116.57 118.71 1mjh h LYS 1074Ca 0.15 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1mjh h LYS 1074Cb 0.24 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1mjh h LYS 1074CO -0.01 0.80 0.03 -0.91 -0.57 0.00 0.00 179.45 178.79 1mjh h ASN 1075N 1.24 0.66 -0.50 0.86 -0.26 -0.94 -2.64 115.58 114.00 1mjh h ASN 1075Ca 0.37 -0.14 -0.13 0.00 -0.56 0.00 0.00 56.30 55.84 1mjh h ASN 1075Cb -0.06 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1mjh h ASN 1075CO -0.10 0.71 -0.19 0.11 -1.06 0.00 0.00 177.43 176.90 1mjh h LYS 1076N 0.67 1.01 -0.59 0.81 1.57 -0.16 -2.72 116.57 117.15 1mjh h LYS 1076Ca 0.14 -0.42 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1mjh h LYS 1076Cb 0.37 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1mjh h LYS 1076CO 0.01 1.10 0.01 -0.07 -0.57 0.00 0.00 179.45 179.93 1mjh h LEU 1077N 0.87 1.02 0.12 2.94 3.38 -1.11 -2.47 115.31 120.06 1mjh h LEU 1077Ca 0.12 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1mjh h LEU 1077Cb 0.77 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1mjh h LEU 1077CO 0.06 1.08 -0.35 0.74 0.09 0.00 0.00 178.44 180.06 1mjh h THR 1078N 0.94 0.26 -0.81 0.22 2.02 -1.49 -2.04 112.91 112.02 1mjh h THR 1078Ca 0.17 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.44 1mjh h THR 1078Cb 0.55 0.26 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 1mjh h THR 1078CO 0.03 0.00 0.45 -0.33 0.37 0.00 0.00 175.52 176.04 1mjh h GLU 1079N -0.58 0.74 0.00 6.66 4.39 -1.43 -1.40 114.58 122.96 1mjh h GLU 1079Ca 0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1mjh h GLU 1079Cb 0.61 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1mjh h GLU 1079CO -0.21 0.49 0.00 0.39 -1.16 0.00 0.00 179.01 178.52 1mjh n GLU 1080N -4.76 0.13 0.01 2.33 -0.58 -0.86 -2.45 120.64 114.46 1mjh n GLU 1080Ca 0.13 0.36 0.11 0.00 -0.42 0.00 0.00 57.16 57.34 1mjh n GLU 1080Cb 0.27 -1.74 -0.04 0.00 -0.57 0.00 0.00 31.44 29.37 1mjh n GLU 1080CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mjh n ALA 1081N -1.68 3.82 -0.18 0.62 0.00 -0.56 -4.54 120.51 117.99 1mjh n ALA 1081Ca 0.03 -0.49 -0.10 0.00 0.00 0.00 0.00 53.44 52.88 1mjh n ALA 1081Cb 0.21 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1mjh n ALA 1081CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1mjh h LYS 1082N 0.00 1.00 -0.48 0.00 1.57 -1.13 -1.97 116.57 115.56 1mjh h LYS 1082Ca 0.00 -0.37 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 1mjh h LYS 1082Cb 0.67 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1mjh h LYS 1082CO 0.00 1.05 -0.15 -0.97 -0.57 0.00 0.00 179.45 178.80 1mjh h ASN 1083N 0.87 0.92 -0.48 0.86 -1.24 -1.80 -0.57 115.58 114.14 1mjh h ASN 1083Ca 0.14 -0.31 -0.02 0.00 0.71 0.00 0.00 56.30 56.81 1mjh h ASN 1083Cb 0.66 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 1mjh h ASN 1083CO 0.05 1.07 0.21 0.11 -1.29 0.00 0.00 177.43 177.57 1mjh h LYS 1084N 0.81 0.71 -0.54 6.67 1.57 -1.80 -2.79 116.57 121.19 1mjh h LYS 1084Ca 0.12 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1mjh h LYS 1084Cb 0.70 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1mjh h LYS 1084CO 0.05 0.63 0.13 0.52 -0.57 0.00 0.00 179.45 180.21 1mjh h MET 1085N 0.64 0.83 -0.75 3.15 2.86 -1.09 -2.65 114.93 117.91 1mjh h MET 1085Ca 0.16 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1mjh h MET 1085Cb 0.17 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1mjh h MET 1085CO -0.02 0.75 0.33 0.93 1.06 0.00 0.00 176.91 179.97 1mjh h GLU 1086N 0.80 1.11 -0.54 1.72 4.39 -0.86 0.50 114.58 121.69 1mjh h GLU 1086Ca 0.18 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1mjh h GLU 1086Cb 0.29 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1mjh h GLU 1086CO -0.00 0.88 0.25 -0.91 -1.16 0.00 0.00 179.01 178.07 1mjh h ASN 1087N 1.07 0.72 -0.35 1.42 2.35 -1.34 -0.81 115.58 118.64 1mjh h ASN 1087Ca 0.26 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1mjh h ASN 1087Cb 0.16 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1mjh h ASN 1087CO -0.03 0.66 -0.06 0.40 -1.65 0.00 0.00 177.43 176.75 1mjh h ILE 1088N 0.73 1.27 -0.67 2.81 2.04 -1.19 -1.52 117.51 120.99 1mjh h ILE 1088Ca 0.19 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 65.00 1mjh h ILE 1088Cb 0.14 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1mjh h ILE 1088CO -0.02 0.36 0.38 0.50 0.00 0.00 0.00 178.15 179.37 1mjh h LYS 1089N 0.46 0.69 -0.64 2.37 3.64 -0.79 -0.09 116.57 122.21 1mjh h LYS 1089Ca 0.09 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1mjh h LYS 1089Cb 0.55 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1mjh h LYS 1089CO 0.03 0.45 0.11 0.87 -2.27 0.00 0.00 179.45 178.64 1mjh h LYS 1090N 0.71 1.04 -0.51 1.90 1.79 -1.06 -0.78 116.57 119.65 1mjh h LYS 1090Ca 0.30 -0.26 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1mjh h LYS 1090Cb 0.17 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1mjh h LYS 1090CO -0.17 0.95 0.27 1.49 -1.08 0.00 0.00 179.45 180.91 1mjh h GLU 1091N 0.98 0.72 -0.22 3.15 4.81 -0.63 -1.52 114.58 121.87 1mjh h GLU 1091Ca 0.20 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 1mjh h GLU 1091Cb 0.41 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1mjh h GLU 1091CO 0.01 0.58 -0.46 -0.07 -0.73 0.00 0.00 179.01 178.34 1mjh h LEU 1092N 0.69 0.60 -1.04 1.64 3.38 -0.79 -2.98 115.31 116.79 1mjh h LEU 1092Ca 0.18 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1mjh h LEU 1092Cb 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1mjh h LEU 1092CO -0.03 0.97 -0.03 -0.33 0.09 0.00 0.00 178.44 179.11 1mjh h GLU 1093N 0.45 0.65 0.00 1.13 5.08 -0.99 -2.36 114.58 118.54 1mjh h GLU 1093Ca 0.03 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1mjh h GLU 1093Cb 0.97 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1mjh h GLU 1093CO 0.09 0.69 -0.12 0.22 -1.00 0.00 0.00 179.01 178.88 1mjh h ASP 1094N 0.61 0.00 0.20 1.42 3.58 -1.13 -0.80 116.42 120.29 1mjh h ASP 1094Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1mjh h ASP 1094Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1mjh h ASP 1094CO 0.02 0.12 -0.17 1.33 -2.88 0.00 0.00 179.24 177.66 1mjh n VAL 1095N -3.97 0.00 0.00 2.25 0.24 -0.95 -4.91 118.33 110.99 1mjh n VAL 1095Ca -0.02 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1mjh n VAL 1095Cb 0.21 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1mjh n VAL 1095CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mjh n GLY 1096N 1.29 1.02 3.81 7.63 0.00 -0.31 -5.02 105.19 113.61 1mjh n GLY 1096Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1mjh n GLY 1096CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mjh s PHE 1097N -2.00 3.13 -0.02 1.61 0.08 -0.93 -4.71 117.98 115.14 1mjh s PHE 1097Ca 0.00 1.49 -0.19 0.00 0.12 0.00 0.00 56.93 58.35 1mjh s PHE 1097Cb 0.00 -2.94 -0.05 0.00 -0.57 0.00 0.00 43.02 39.46 1mjh s PHE 1097CO 0.00 -0.92 0.53 0.21 -0.10 0.00 0.00 175.22 174.93 1mjh s LYS 1098N -4.14 4.23 -0.10 0.44 2.20 -0.70 -4.19 119.74 117.48 1mjh s LYS 1098Ca 0.62 0.61 0.02 0.00 -0.36 0.00 0.00 55.97 56.86 1mjh s LYS 1098Cb -0.14 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1mjh s LYS 1098CO 0.37 0.43 -0.15 0.08 -0.36 0.00 0.00 175.35 175.71 1mjh s VAL 1099N -0.32 1.47 -0.37 4.02 1.01 -1.26 -0.45 120.40 124.49 1mjh s VAL 1099Ca 0.28 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1mjh s VAL 1099Cb -0.17 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.91 1mjh s VAL 1099CO 0.15 0.43 0.19 -0.75 0.00 0.00 0.00 175.10 175.12 1mjh s LYS 1100N 0.83 2.72 -0.13 2.72 2.20 -0.28 -4.98 119.74 122.81 1mjh s LYS 1100Ca -0.10 -1.19 -0.16 0.00 -0.36 0.00 0.00 55.97 54.16 1mjh s LYS 1100Cb -0.15 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1mjh s LYS 1100CO 0.01 -0.74 0.39 0.16 -0.36 0.00 0.00 175.35 174.81 1mjh s ASP 1101N 1.61 6.59 -0.07 1.43 -4.77 -1.26 -0.51 116.67 119.68 1mjh s ASP 1101Ca 0.01 0.69 0.03 0.00 -3.30 0.00 0.00 52.55 49.98 1mjh s ASP 1101Cb -0.20 -2.24 0.01 0.00 -1.09 0.00 0.00 42.92 39.40 1mjh s ASP 1101CO 0.05 0.06 -0.16 -0.63 0.70 0.00 0.00 175.17 175.19 1mjh s ILE 1102N 0.45 1.42 -0.15 2.11 1.01 0.86 -4.95 121.20 121.95 1mjh s ILE 1102Ca 0.22 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1mjh s ILE 1102Cb -0.14 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1mjh s ILE 1102CO 0.08 0.42 -0.21 -0.63 0.00 0.00 0.00 174.94 174.60 1mjh s ILE 1103N 0.55 2.17 0.01 2.92 1.01 -1.26 -1.25 121.20 125.35 1mjh s ILE 1103Ca -0.16 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1mjh s ILE 1103Cb -0.16 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1mjh s ILE 1103CO 0.05 0.54 -0.02 0.54 0.00 0.00 0.00 174.94 176.05 1mjh s VAL 1104N 0.87 0.10 -0.09 2.92 0.11 -0.82 -5.01 120.40 118.49 1mjh s VAL 1104Ca -0.05 -0.47 -0.19 0.00 -2.93 0.00 0.00 61.98 58.34 1mjh s VAL 1104Cb -0.15 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1mjh s VAL 1104CO -0.03 -0.23 0.51 -0.69 -3.33 0.00 0.00 175.10 171.33 1mjh s VAL 1105N -0.72 5.12 -3.32 2.04 1.01 -1.26 -0.08 120.40 123.19 1mjh s VAL 1105Ca -0.07 1.04 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1mjh s VAL 1105Cb -0.05 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1mjh s VAL 1105CO -0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1mjh n GLY 1106N 3.01 -1.01 3.64 4.51 0.00 0.36 -4.89 105.19 110.81 1mjh n GLY 1106Ca -0.07 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1mjh n GLY 1106CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjh s ILE 1107N -3.00 4.88 0.14 -0.61 1.01 -1.26 -0.97 121.20 121.39 1mjh s ILE 1107Ca 0.00 1.47 -0.22 0.00 0.00 0.00 0.00 60.65 61.90 1mjh s ILE 1107Cb 0.00 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.41 1mjh s ILE 1107CO 0.00 -0.03 1.65 -0.65 0.00 0.00 0.00 174.94 175.91 1mjh h PRO 1108N 7.67 -0.19 -0.17 2.79 0.11 -1.89 -1.53 132.00 138.79 1mjh h PRO 1108Ca -0.25 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 1mjh h PRO 1108Cb 1.11 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1mjh h PRO 1108CO 0.84 -0.13 -0.20 1.12 -0.21 0.00 0.00 178.00 179.42 1mjh h HIS 1109N -0.20 0.32 -0.41 0.65 2.07 -1.94 -1.46 115.15 114.18 1mjh h HIS 1109Ca 0.12 -0.05 -0.15 0.00 -2.85 0.00 0.00 60.37 57.44 1mjh h HIS 1109Cb 0.38 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 30.26 1mjh h HIS 1109CO -0.32 0.49 -0.33 0.93 -3.07 0.00 0.00 177.93 175.63 1mjh h GLU 1110N 0.27 0.94 -0.23 5.12 5.08 -1.82 -2.28 114.58 121.66 1mjh h GLU 1110Ca 0.05 -0.47 -0.13 0.00 -1.00 0.00 0.00 59.36 57.80 1mjh h GLU 1110Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1mjh h GLU 1110CO 0.03 1.13 -0.41 0.93 -1.00 0.00 0.00 179.01 179.69 1mjh h GLU 1111N 0.77 0.56 -0.54 2.33 4.39 -0.99 -1.25 114.58 119.85 1mjh h GLU 1111Ca 0.07 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1mjh h GLU 1111Cb 0.92 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1mjh h GLU 1111CO 0.09 0.87 0.25 0.82 -1.16 0.00 0.00 179.01 179.88 1mjh h ILE 1112N 0.46 1.20 -0.48 3.13 2.04 -1.16 -0.39 117.51 122.31 1mjh h ILE 1112Ca 0.04 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1mjh h ILE 1112Cb 0.92 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1mjh h ILE 1112CO 0.08 0.23 0.13 0.58 0.00 0.00 0.00 178.15 179.17 1mjh h VAL 1113N 0.73 1.23 -0.29 1.67 2.07 -1.26 -0.42 116.25 119.98 1mjh h VAL 1113Ca 0.18 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1mjh h VAL 1113Cb 0.14 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1mjh h VAL 1113CO -0.02 0.29 0.10 0.50 0.02 0.00 0.00 177.57 178.46 1mjh h LYS 1114N 0.65 0.44 -0.04 1.57 3.64 -1.07 -2.56 116.57 119.20 1mjh h LYS 1114Ca 0.15 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1mjh h LYS 1114Cb 0.31 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1mjh h LYS 1114CO -0.00 0.48 -0.64 0.82 -2.27 0.00 0.00 179.45 177.85 1mjh h ILE 1115N 0.30 1.42 -0.86 2.00 2.04 -1.02 0.15 117.51 121.55 1mjh h ILE 1115Ca 0.09 -2.10 -0.02 0.00 1.00 0.00 0.00 64.86 63.83 1mjh h ILE 1115Cb 0.22 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 1mjh h ILE 1115CO -0.00 0.61 0.44 0.00 0.00 0.00 0.00 178.15 179.20 1mjh h ALA 1116N 1.24 1.17 -0.28 1.87 0.00 -0.97 -0.75 119.26 121.55 1mjh h ALA 1116Ca -0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1mjh h ALA 1116Cb 1.14 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1mjh h ALA 1116CO 0.09 0.65 -0.52 1.49 0.00 0.00 0.00 179.25 180.96 1mjh h GLU 1117N 1.21 0.84 -0.50 0.00 4.57 -1.12 -2.60 114.58 116.98 1mjh h GLU 1117Ca 0.30 -0.53 -0.13 0.00 -1.18 0.00 0.00 59.36 57.82 1mjh h GLU 1117Cb 0.07 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1mjh h GLU 1117CO -0.04 1.17 -0.19 -0.44 -1.18 0.00 0.00 179.01 178.32 1mjh h ASP 1118N 0.61 1.03 0.62 1.04 3.32 -0.31 -2.54 116.42 120.19 1mjh h ASP 1118Ca 0.01 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1mjh h ASP 1118Cb 1.13 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1mjh h ASP 1118CO 0.12 1.19 -0.02 -0.62 -1.72 0.00 0.00 179.24 178.19 1mjh n GLU 1119N -4.12 0.37 -3.46 3.56 -0.58 -0.32 -4.96 120.64 111.13 1mjh n GLU 1119Ca 0.00 -0.02 -0.19 0.00 -0.42 0.00 0.00 57.16 56.53 1mjh n GLU 1119Cb 0.45 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.90 1mjh n GLU 1119CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mjh n GLY 1120N 1.32 -0.40 3.81 0.62 0.00 -0.96 -4.97 105.19 104.61 1mjh n GLY 1120Ca 0.13 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1mjh n GLY 1120CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mjh s VAL 1121N -3.33 3.84 -0.53 1.61 -7.23 -1.00 -4.89 120.40 108.87 1mjh s VAL 1121Ca 0.25 0.60 0.23 0.00 -1.81 0.00 0.00 61.98 61.25 1mjh s VAL 1121Cb -0.11 -3.31 -0.06 0.00 0.56 0.00 0.00 36.38 33.46 1mjh s VAL 1121CO 0.70 -0.78 1.08 0.47 -0.31 0.00 0.00 175.10 176.26 1mjh n ASP 1122N -3.22 0.64 -3.59 4.85 8.00 0.09 -4.98 116.55 118.35 1mjh n ASP 1122Ca 0.08 -0.02 -0.09 0.00 0.71 0.00 0.00 54.79 55.46 1mjh n ASP 1122Cb 0.54 0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 42.22 1mjh n ASP 1122CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1mjh s ILE 1123N -3.23 0.00 -0.18 0.53 2.07 -1.22 -4.44 121.20 114.73 1mjh s ILE 1123Ca 0.03 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1mjh s ILE 1123Cb 0.13 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.70 1mjh s ILE 1123CO 0.78 0.00 -0.04 -0.63 -1.91 0.00 0.00 174.94 173.14 1mjh s ILE 1124N -1.03 3.66 -0.22 2.00 1.01 -0.03 -1.17 121.20 125.43 1mjh s ILE 1124Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 1mjh s ILE 1124Cb -0.01 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1mjh s ILE 1124CO 0.00 0.47 -0.08 -0.63 0.00 0.00 0.00 174.94 174.70 1mjh s ILE 1125N 0.76 3.04 0.17 2.92 1.01 -0.34 -0.50 121.20 128.26 1mjh s ILE 1125Ca -0.02 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1mjh s ILE 1125Cb -0.15 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1mjh s ILE 1125CO 0.02 0.42 0.27 0.00 0.00 0.00 0.00 174.94 175.65 1mjh s MET 1126N 1.42 1.18 0.65 2.79 0.23 -0.63 -4.16 119.30 120.78 1mjh s MET 1126Ca 0.05 -1.24 -0.10 0.00 -1.03 0.00 0.00 55.69 53.37 1mjh s MET 1126Cb -0.14 0.37 -0.00 0.00 -1.53 0.00 0.00 34.83 33.52 1mjh s MET 1126CO -0.06 -0.43 1.02 0.20 -2.03 0.00 0.00 175.02 173.73 1mjh s GLY 1127N -3.00 1.62 0.31 3.16 0.00 -1.26 -1.11 107.32 107.05 1mjh s GLY 1127Ca 0.20 -0.36 0.16 0.00 0.00 0.00 0.00 44.72 44.72 1mjh s GLY 1127CO 0.02 -0.04 1.59 1.48 0.00 0.00 0.00 173.10 176.15 1mjh h SER 1128N -0.42 0.00 -5.76 1.64 4.64 -0.79 -3.43 113.55 109.42 1mjh h SER 1128Ca -0.45 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.50 1mjh h SER 1128Cb 1.24 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.19 1mjh h SER 1128CO 0.63 0.50 -0.54 -1.00 -0.87 0.00 0.00 176.83 175.55 1mjh s HIS 1129N -3.33 1.49 0.00 4.77 3.76 -1.26 -0.62 115.29 120.09 1mjh s HIS 1129Ca 0.01 -1.53 0.00 0.00 -0.15 0.00 0.00 55.06 53.39 1mjh s HIS 1129Cb 0.10 -0.63 0.00 0.00 1.11 0.00 0.00 32.58 33.16 1mjh s HIS 1129CO 0.72 -0.78 0.00 0.41 -0.85 0.00 0.00 174.74 174.24 1mjh n GLY 1130N -0.47 4.83 0.22 -2.22 0.00 -1.26 -4.32 105.19 101.96 1mjh n GLY 1130Ca 0.05 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.60 1mjh n GLY 1130CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mjh h LYS 1131N 0.00 0.00 0.10 1.61 1.79 -1.96 -3.23 116.57 114.88 1mjh h LYS 1131Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1mjh h LYS 1131Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1mjh h LYS 1131CO 0.00 0.25 -0.05 1.15 -1.08 0.00 0.00 179.45 179.72 1mjh h THR 1132N 0.00 1.04 -6.89 -0.16 2.02 -2.01 -3.48 112.91 103.42 1mjh h THR 1132Ca -0.00 -1.32 -0.49 0.00 0.77 0.00 0.00 66.41 65.36 1mjh h THR 1132Cb 0.73 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1mjh h THR 1132CO 0.03 0.28 -0.90 -3.20 0.37 0.00 0.00 175.52 172.11 1mjh n ASN 1133N -4.85 -3.67 -4.72 4.18 5.15 -1.22 -4.92 115.26 105.20 1mjh n ASN 1133Ca -0.08 -1.04 -0.41 0.00 -0.60 0.00 0.00 54.58 52.45 1mjh n ASN 1133Cb 0.28 -1.35 -0.04 0.00 -0.53 0.00 0.00 39.78 38.14 1mjh n ASN 1133CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1mjh s LEU 1134N -6.38 4.36 0.34 1.20 2.96 -1.26 -4.96 118.68 114.94 1mjh s LEU 1134Ca 0.30 1.42 0.09 0.00 -0.22 0.00 0.00 54.13 55.72 1mjh s LEU 1134Cb -0.17 -3.30 0.81 0.00 0.50 0.00 0.00 46.19 44.04 1mjh s LEU 1134CO 0.82 -0.14 1.83 0.50 -1.32 0.00 0.00 176.35 178.03 1mjh h LYS 1135N 6.55 0.68 0.00 1.98 1.63 -2.05 -0.47 116.57 124.89 1mjh h LYS 1135Ca -0.42 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1mjh h LYS 1135Cb 1.21 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1mjh h LYS 1135CO 0.74 0.45 0.00 1.05 -3.45 0.00 0.00 179.45 178.24 1mjh h GLU 1136N 0.70 0.00 -5.81 1.90 4.11 -2.03 -3.42 114.58 110.03 1mjh h GLU 1136Ca 0.51 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 59.36 1mjh h GLU 1136Cb 0.86 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.03 1mjh h GLU 1136CO -0.27 0.00 0.21 0.42 0.07 0.00 0.00 179.01 179.44 1mjh s ILE 1137N -3.32 4.97 -2.35 -1.06 -1.09 -0.19 -4.95 121.20 113.22 1mjh s ILE 1137Ca 0.06 1.38 0.25 0.00 -2.23 0.00 0.00 60.65 60.10 1mjh s ILE 1137Cb 0.09 -4.03 0.21 0.00 -1.58 0.00 0.00 42.46 37.16 1mjh s ILE 1137CO 0.52 0.10 1.36 0.18 -1.23 0.00 0.00 174.94 175.87 1mjh n LEU 1138N 4.94 2.00 -3.62 2.97 4.77 -1.26 -4.78 117.00 122.02 1mjh n LEU 1138Ca 0.01 -0.68 -0.04 0.00 -0.03 0.00 0.00 56.01 55.27 1mjh n LEU 1138Cb 0.50 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1mjh n LEU 1138CO 0.46 0.35 0.47 -0.22 -1.33 0.00 0.00 177.39 177.11 1mjh s LEU 1139N -2.25 -0.80 0.78 2.23 2.96 -1.26 -5.00 118.68 115.33 1mjh s LEU 1139Ca 0.26 1.24 -0.12 0.00 -0.22 0.00 0.00 54.13 55.29 1mjh s LEU 1139Cb 0.19 2.10 0.07 0.00 0.50 0.00 0.00 46.19 49.06 1mjh s LEU 1139CO 0.44 -0.19 1.13 -0.83 -1.32 0.00 0.00 176.35 175.58 1mjh s GLY 1140N 1.80 1.89 0.35 7.98 0.00 0.21 -4.84 107.32 114.72 1mjh s GLY 1140Ca -0.08 0.52 0.18 0.00 0.00 0.00 0.00 44.72 45.33 1mjh s GLY 1140CO -0.18 0.90 1.68 1.48 0.00 0.00 0.00 173.10 176.98 1mjh h SER 1141N -0.98 0.00 -0.12 1.64 4.64 -1.99 -1.42 113.55 115.32 1mjh h SER 1141Ca -0.45 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.72 1mjh h SER 1141Cb 1.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1mjh h SER 1141CO 0.49 0.42 -0.51 0.58 -0.87 0.00 0.00 176.83 176.93 1mjh h VAL 1142N 0.00 1.35 -0.47 0.95 2.07 -1.94 -1.36 116.25 116.85 1mjh h VAL 1142Ca -0.00 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 1mjh h VAL 1142Cb 0.98 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 1mjh h VAL 1142CO 0.05 0.55 0.13 0.74 0.02 0.00 0.00 177.57 179.06 1mjh h THR 1143N 0.19 1.23 -0.75 2.57 2.02 -1.84 0.78 112.91 117.11 1mjh h THR 1143Ca -0.03 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 1mjh h THR 1143Cb 1.15 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1mjh h THR 1143CO 0.11 0.29 0.45 -0.08 0.37 0.00 0.00 175.52 176.66 1mjh h GLU 1144N 0.64 1.01 -0.46 6.66 4.81 -1.24 -0.61 114.58 125.38 1mjh h GLU 1144Ca 0.15 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1mjh h GLU 1144Cb 0.30 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1mjh h GLU 1144CO -0.00 0.71 -0.18 -0.91 -0.73 0.00 0.00 179.01 177.90 1mjh h ASN 1145N 1.02 0.91 -0.59 1.04 2.35 -0.91 -2.49 115.58 116.91 1mjh h ASN 1145Ca 0.27 -0.32 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1mjh h ASN 1145Cb -0.04 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1mjh h ASN 1145CO -0.05 1.07 0.04 0.58 -1.65 0.00 0.00 177.43 177.41 1mjh h VAL 1146N 0.79 1.26 -0.50 2.81 2.07 -0.50 0.80 116.25 122.97 1mjh h VAL 1146Ca 0.11 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1mjh h VAL 1146Cb 0.72 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1mjh h VAL 1146CO 0.06 0.40 0.16 0.40 0.02 0.00 0.00 177.57 178.61 1mjh h ILE 1147N 0.96 1.23 0.00 4.57 2.04 -1.02 -0.44 117.51 124.85 1mjh h ILE 1147Ca 0.18 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.18 1mjh h ILE 1147Cb 0.51 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1mjh h ILE 1147CO 0.02 0.28 -0.50 0.11 0.00 0.00 0.00 178.15 178.05 1mjh h LYS 1148N 0.67 0.00 0.00 2.37 1.57 -1.34 -3.37 116.57 116.47 1mjh h LYS 1148Ca 0.16 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.66 1mjh h LYS 1148Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 1mjh h LYS 1148CO -0.01 0.50 -2.06 1.63 -0.57 0.00 0.00 179.45 178.95 1mjh n LYS 1149N -3.66 1.44 -2.79 3.15 5.02 0.26 -4.97 118.16 116.61 1mjh n LYS 1149Ca -0.01 -0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 1mjh n LYS 1149Cb 0.57 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 34.12 1mjh n LYS 1149CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1mjh s SER 1150N -4.94 7.00 -0.09 4.39 0.15 -0.19 -4.98 113.70 115.05 1mjh s SER 1150Ca -0.08 1.74 0.17 0.00 0.70 0.00 0.00 55.95 58.47 1mjh s SER 1150Cb 0.05 -2.55 0.64 0.00 -1.71 0.00 0.00 66.02 62.45 1mjh s SER 1150CO 0.62 -0.31 1.53 -0.46 1.20 0.00 0.00 173.24 175.82 1mjh n ASN 1151N -0.37 4.22 -4.90 5.45 0.23 -1.26 -4.86 115.26 113.78 1mjh n ASN 1151Ca 0.06 -2.36 -0.29 0.00 -0.53 0.00 0.00 54.58 51.46 1mjh n ASN 1151Cb 0.53 -0.54 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1mjh n ASN 1151CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1mjh s LYS 1152N -1.75 3.66 0.27 -3.83 -0.14 -1.26 -5.02 119.74 111.67 1mjh s LYS 1152Ca 0.45 0.15 -0.30 0.00 -1.36 0.00 0.00 55.97 54.92 1mjh s LYS 1152Cb 0.29 -2.54 -0.10 0.00 -1.68 0.00 0.00 37.83 33.79 1mjh s LYS 1152CO 0.23 0.09 1.46 -2.14 -0.76 0.00 0.00 175.35 174.23 1mjh s PRO 1153N -3.80 4.24 -0.17 -1.68 0.02 -1.26 -4.86 135.00 127.48 1mjh s PRO 1153Ca 0.46 2.36 0.01 0.00 0.02 0.00 0.00 61.00 63.85 1mjh s PRO 1153Cb -0.10 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.36 1mjh s PRO 1153CO 0.32 -0.45 -0.17 0.08 -0.33 0.00 0.00 177.00 176.45 1mjh s VAL 1154N -0.16 1.89 -0.35 3.83 1.01 -1.26 -0.85 120.40 124.51 1mjh s VAL 1154Ca 0.59 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 1mjh s VAL 1154Cb -0.43 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1mjh s VAL 1154CO 0.46 0.47 0.75 -0.22 0.00 0.00 0.00 175.10 176.57 1mjh s LEU 1155N 1.35 4.14 -0.37 3.92 2.96 0.35 -4.98 118.68 126.05 1mjh s LEU 1155Ca 0.04 0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 54.21 1mjh s LEU 1155Cb -0.13 -2.99 -0.00 0.00 0.50 0.00 0.00 46.19 43.56 1mjh s LEU 1155CO -0.12 -0.67 0.27 -0.69 -1.32 0.00 0.00 176.35 173.82 1mjh s VAL 1156N 2.98 5.27 -0.22 1.68 1.01 -1.26 -1.60 120.40 128.26 1mjh s VAL 1156Ca 0.30 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1mjh s VAL 1156Cb -0.14 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1mjh s VAL 1156CO 0.15 -0.13 0.27 -0.69 0.00 0.00 0.00 175.10 174.70 1mjh s VAL 1157N 1.72 5.29 0.55 2.92 1.01 -0.27 -4.85 120.40 126.77 1mjh s VAL 1157Ca 0.06 0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 1mjh s VAL 1157Cb -0.18 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 1mjh s VAL 1157CO 0.10 0.30 0.97 -0.54 0.00 0.00 0.00 175.10 175.94 1mjh s LYS 1158N 1.18 3.74 0.97 2.72 -0.14 -1.26 -0.05 119.74 126.90 1mjh s LYS 1158Ca 0.13 0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 55.38 1mjh s LYS 1158Cb -0.14 -2.15 0.17 0.00 -1.68 0.00 0.00 37.83 34.03 1mjh s LYS 1158CO 0.06 -0.38 1.08 -0.98 -0.76 0.00 0.00 175.35 174.38 1mjh s ARG 1159N -4.61 0.63 0.75 1.68 1.70 -1.26 -4.83 118.95 113.01 1mjh s ARG 1159Ca 0.56 0.78 -0.15 0.00 -0.47 0.00 0.00 55.73 56.44 1mjh s ARG 1159Cb -0.10 -1.74 0.02 0.00 -0.57 0.00 0.00 34.95 32.55 1mjh s ARG 1159CO 0.43 -2.66 0.95 1.63 -1.08 0.00 0.00 175.30 174.57 1mjh n LYS 1160N -4.17 0.40 -2.65 3.89 5.02 -1.26 -4.95 118.16 114.45 1mjh n LYS 1160Ca 0.06 0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 56.14 1mjh n LYS 1160Cb 0.55 -2.21 -0.05 0.00 -0.02 0.00 0.00 35.03 33.30 1mjh n LYS 1160CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1mjh s ASN 1161N -1.73 7.46 0.00 4.39 0.02 -1.26 -5.18 114.94 118.64 1mjh s ASN 1161Ca 0.72 1.98 0.00 0.00 -1.02 0.00 0.00 52.86 54.54 1mjh s ASN 1161Cb -0.33 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.34 1mjh s ASN 1161CO 0.52 -0.04 0.00 -1.20 0.02 0.00 0.00 177.10 176.39