#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t96 s LYS 1003N 0.00 4.30 0.15 5.31 2.20 -1.26 -5.00 119.74 125.44 1t96 s LYS 1003Ca 0.00 1.88 -0.30 0.00 -0.36 0.00 0.00 55.97 57.19 1t96 s LYS 1003Cb 0.00 -3.59 -0.07 0.00 -1.51 0.00 0.00 37.83 32.66 1t96 s LYS 1003CO 0.00 -0.55 0.94 0.12 -0.36 0.00 0.00 175.35 175.50 1t96 s PHE 1004N 2.44 3.87 -0.07 4.03 2.19 -1.20 -4.80 117.98 124.43 1t96 s PHE 1004Ca 0.61 1.82 -0.13 0.00 0.33 0.00 0.00 56.93 59.56 1t96 s PHE 1004Cb -0.29 -3.01 -0.05 0.00 -1.31 0.00 0.00 43.02 38.36 1t96 s PHE 1004CO 0.25 0.30 0.33 -1.17 1.83 0.00 0.00 175.22 176.77 1t96 s LEU 1005N -0.43 4.38 -0.23 6.12 2.96 -0.90 -0.46 118.68 130.13 1t96 s LEU 1005Ca 0.44 0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1t96 s LEU 1005Cb -0.24 -2.44 0.06 0.00 0.50 0.00 0.00 46.19 44.06 1t96 s LEU 1005CO 0.30 0.25 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.86 1t96 s VAL 1006N -0.51 1.31 -0.28 1.68 1.01 -0.62 -1.14 120.40 121.86 1t96 s VAL 1006Ca 0.20 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 1t96 s VAL 1006Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1t96 s VAL 1006CO 0.09 -0.12 0.31 -0.63 0.00 0.00 0.00 175.10 174.74 1t96 s ILE 1007N 1.50 5.22 0.06 2.22 1.01 0.15 -1.65 121.20 129.71 1t96 s ILE 1007Ca -0.05 0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.94 1t96 s ILE 1007Cb -0.18 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1t96 s ILE 1007CO -0.07 0.18 0.14 0.00 0.00 0.00 0.00 174.94 175.19 1t96 s ALA 1008N 1.96 -0.13 0.00 9.38 0.00 -0.68 -0.17 121.76 132.13 1t96 s ALA 1008Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1t96 s ALA 1008Cb -0.16 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1t96 s ALA 1008CO 0.10 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1t96 n GLY 1009N 0.37 0.98 3.76 0.00 0.00 -1.10 -1.02 105.19 108.18 1t96 n GLY 1009Ca -0.17 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 1t96 n GLY 1009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t96 s PRO 1010N -1.96 4.55 0.17 1.61 0.04 -1.05 -0.22 135.00 138.14 1t96 s PRO 1010Ca 0.00 1.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 1t96 s PRO 1010Cb 0.00 -3.08 0.08 0.00 0.04 0.00 0.00 34.50 31.54 1t96 s PRO 1010CO 0.00 0.14 1.62 0.00 0.04 0.00 0.00 177.00 178.80 1t96 s ALA 1012N -6.09 2.05 -1.22 0.00 0.00 -1.26 -1.91 121.76 113.33 1t96 s ALA 1012Ca -0.15 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.34 1t96 s ALA 1012Cb 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1t96 s ALA 1012CO 0.69 0.45 1.80 0.42 0.00 0.00 0.00 175.76 179.13 1t96 s ILE 1013N -0.98 3.86 0.28 0.00 1.01 -0.75 -4.73 121.20 119.89 1t96 s ILE 1013Ca 0.10 -1.41 0.23 0.00 0.00 0.00 0.00 60.65 59.57 1t96 s ILE 1013Cb -0.10 -4.91 0.22 0.00 0.01 0.00 0.00 42.46 37.69 1t96 s ILE 1013CO 0.04 -1.59 1.90 -0.33 0.00 0.00 0.00 174.94 174.96 1t96 h GLU 1014N 8.68 0.00 -1.10 2.79 5.08 -1.96 -3.41 114.58 124.66 1t96 h GLU 1014Ca 0.33 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.99 1t96 h GLU 1014Cb 0.91 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.94 1t96 h GLU 1014CO 1.36 0.23 0.95 -1.54 -1.00 0.00 0.00 179.01 179.01 1t96 s SER 1015N -6.31 -0.03 0.45 1.42 1.04 -1.26 -5.00 113.70 104.00 1t96 s SER 1015Ca -0.01 0.01 0.19 0.00 0.48 0.00 0.00 55.95 56.61 1t96 s SER 1015Cb 0.12 0.03 1.05 0.00 0.10 0.00 0.00 66.02 67.32 1t96 s SER 1015CO 0.64 -0.05 1.95 -0.08 0.98 0.00 0.00 173.24 176.68 1t96 h GLU 1016N 2.01 0.00 -0.36 4.02 4.81 -1.96 -2.89 114.58 120.21 1t96 h GLU 1016Ca -0.04 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1t96 h GLU 1016Cb 1.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1t96 h GLU 1016CO 0.20 0.23 -0.18 1.49 -0.73 0.00 0.00 179.01 180.02 1t96 h GLU 1017N 0.00 0.75 -0.96 1.92 4.22 -1.99 -2.61 114.58 115.91 1t96 h GLU 1017Ca -0.00 -0.33 0.03 0.00 0.08 0.00 0.00 59.36 59.13 1t96 h GLU 1017Cb 0.46 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1t96 h GLU 1017CO 0.03 0.95 0.63 1.25 -2.18 0.00 0.00 179.01 179.68 1t96 h LEU 1018N 0.54 1.06 -0.36 1.64 5.85 -1.90 -2.35 115.31 119.79 1t96 h LEU 1018Ca 0.08 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1t96 h LEU 1018Cb 0.73 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1t96 h LEU 1018CO 0.05 0.73 0.16 -0.07 -0.34 0.00 0.00 178.44 178.98 1t96 h LEU 1019N 1.23 0.48 -1.03 2.25 4.07 -1.42 -2.07 115.31 118.82 1t96 h LEU 1019Ca 0.37 -0.14 -0.09 0.00 0.08 0.00 0.00 57.88 58.11 1t96 h LEU 1019Cb -0.04 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 1t96 h LEU 1019CO -0.11 0.49 -0.25 -0.07 -1.08 0.00 0.00 178.44 177.42 1t96 h LEU 1020N 0.44 0.40 0.05 1.67 3.38 -1.28 0.45 115.31 120.41 1t96 h LEU 1020Ca 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1t96 h LEU 1020Cb 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1t96 h LEU 1020CO -0.01 0.65 -0.02 0.50 0.09 0.00 0.00 178.44 179.64 1t96 h LYS 1021N 0.36 -0.06 -0.48 1.13 3.64 -1.22 0.11 116.57 120.05 1t96 h LYS 1021Ca 0.05 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1t96 h LYS 1021Cb 0.63 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1t96 h LYS 1021CO 0.05 0.17 -0.19 0.28 -2.27 0.00 0.00 179.45 177.48 1t96 h VAL 1022N -0.29 1.27 -0.71 2.00 2.07 -1.20 -2.94 116.25 116.45 1t96 h VAL 1022Ca -0.01 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.20 1t96 h VAL 1022Cb 0.26 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1t96 h VAL 1022CO 0.01 0.46 0.47 1.23 0.02 0.00 0.00 177.57 179.76 1t96 h GLY 1023N 0.91 0.97 0.98 2.17 0.00 0.05 -1.02 103.07 107.14 1t96 h GLY 1023Ca 0.11 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1t96 h GLY 1023CO 0.06 0.28 0.14 -2.09 0.00 0.00 0.00 176.54 174.94 1t96 h GLU 1024N 0.84 0.83 -0.53 4.80 4.81 -0.79 0.78 114.58 125.31 1t96 h GLU 1024Ca 0.29 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1t96 h GLU 1024Cb 0.09 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1t96 h GLU 1024CO -0.08 0.78 -0.01 1.49 -0.73 0.00 0.00 179.01 180.46 1t96 h GLU 1025N 0.73 0.95 -0.40 1.92 4.57 -1.29 -1.70 114.58 119.36 1t96 h GLU 1025Ca 0.17 -0.31 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 1t96 h GLU 1025Cb 0.31 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1t96 h GLU 1025CO -0.00 0.97 0.01 0.82 -1.18 0.00 0.00 179.01 179.63 1t96 h ILE 1026N 0.83 1.21 -0.08 2.32 2.04 -0.88 -1.25 117.51 121.70 1t96 h ILE 1026Ca 0.15 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1t96 h ILE 1026Cb 0.55 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1t96 h ILE 1026CO 0.03 0.30 0.04 0.50 0.00 0.00 0.00 178.15 179.01 1t96 h LYS 1027N 0.60 0.12 -0.80 2.37 1.63 -0.53 -0.90 116.57 119.05 1t96 h LYS 1027Ca 0.13 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.96 1t96 h LYS 1027Cb 0.36 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.92 1t96 h LYS 1027CO 0.01 0.21 0.49 -0.09 -3.45 0.00 0.00 179.45 176.63 1t96 h ARG 1028N -0.00 0.90 -0.11 1.90 2.43 -0.82 -2.13 114.38 116.54 1t96 h ARG 1028Ca 0.03 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1t96 h ARG 1028Cb 0.13 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1t96 h ARG 1028CO -0.00 0.59 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.57 1t96 h LEU 1029N 0.92 0.25 -1.56 3.80 3.38 -0.97 -2.39 115.31 118.75 1t96 h LEU 1029Ca 0.34 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1t96 h LEU 1029Cb 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1t96 h LEU 1029CO -0.15 0.64 -0.13 0.77 0.09 0.00 0.00 178.44 179.66 1t96 h SER 1030N 0.20 0.00 0.82 -0.43 4.64 -0.52 0.22 113.55 118.48 1t96 h SER 1030Ca 0.02 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.11 1t96 h SER 1030Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 1t96 h SER 1030CO 0.06 0.13 -1.04 -0.33 -0.87 0.00 0.00 176.83 174.78 1t96 h GLU 1031N 0.00 0.11 0.00 4.77 4.39 -1.05 -3.34 114.58 119.46 1t96 h GLU 1031Ca -0.00 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 1t96 h GLU 1031Cb 0.52 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1t96 h GLU 1031CO 0.02 1.05 -0.22 -0.22 -1.16 0.00 0.00 179.01 178.48 1t96 h LYS 1032N 0.04 0.00 -4.43 2.33 3.64 -1.11 -3.39 116.57 113.64 1t96 h LYS 1032Ca -0.05 0.00 -0.75 0.00 -1.27 0.00 0.00 60.65 58.58 1t96 h LYS 1032Cb 1.77 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 33.40 1t96 h LYS 1032CO 0.15 0.75 1.37 1.19 -2.27 0.00 0.00 179.45 180.64 1t96 n PHE 1033N -4.62 4.65 0.33 1.91 3.01 0.71 -4.79 117.46 118.67 1t96 n PHE 1033Ca -0.11 -3.31 0.15 0.00 1.01 0.00 0.00 57.45 55.19 1t96 n PHE 1033Cb 0.40 -2.10 0.60 0.00 -0.01 0.00 0.00 39.48 38.37 1t96 n PHE 1033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1t96 h LYS 1034N 6.85 0.00 -0.06 -1.08 1.57 -1.78 -2.54 116.57 119.52 1t96 h LYS 1034Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1t96 h LYS 1034Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1t96 h LYS 1034CO 1.29 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 179.32 1t96 n GLU 1035N -2.73 1.27 -4.68 3.15 0.00 -1.26 -4.81 120.64 111.59 1t96 n GLU 1035Ca 0.01 -0.41 -0.31 0.00 0.00 0.00 0.00 57.16 56.45 1t96 n GLU 1035Cb 0.28 -1.33 -0.12 0.00 0.00 0.00 0.00 31.44 30.26 1t96 n GLU 1035CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1t96 s VAL 1036N -1.93 3.02 -0.35 3.84 1.01 -0.96 -3.22 120.40 121.81 1t96 s VAL 1036Ca 0.30 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 1t96 s VAL 1036Cb 0.15 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1t96 s VAL 1036CO 0.24 0.40 0.20 -0.70 0.00 0.00 0.00 175.10 175.24 1t96 s GLU 1037N -1.28 3.11 0.18 2.72 2.12 0.40 -4.95 118.70 121.00 1t96 s GLU 1037Ca 0.14 -0.89 -0.15 0.00 0.36 0.00 0.00 54.97 54.44 1t96 s GLU 1037Cb -0.11 -3.70 -0.07 0.00 0.26 0.00 0.00 34.13 30.51 1t96 s GLU 1037CO 0.05 -0.57 0.60 -0.06 -0.54 0.00 0.00 175.26 174.74 1t96 s PHE 1038N 1.61 3.59 -0.05 5.30 0.40 -1.26 -1.59 117.98 125.97 1t96 s PHE 1038Ca 0.04 1.12 -0.00 0.00 -0.60 0.00 0.00 56.93 57.49 1t96 s PHE 1038Cb -0.18 -2.42 0.03 0.00 0.51 0.00 0.00 43.02 40.95 1t96 s PHE 1038CO 0.07 0.38 -0.02 0.08 0.70 0.00 0.00 175.22 176.44 1t96 s VAL 1039N -1.53 0.40 -0.02 -0.44 1.01 -0.66 -4.18 120.40 114.98 1t96 s VAL 1039Ca 0.40 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 1t96 s VAL 1039Cb -0.15 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1t96 s VAL 1039CO 0.20 0.23 0.85 0.12 0.00 0.00 0.00 175.10 176.49 1t96 s PHE 1040N 1.42 3.64 -0.03 5.22 5.36 0.51 -1.69 117.98 132.41 1t96 s PHE 1040Ca -0.04 1.51 0.04 0.00 -0.96 0.00 0.00 56.93 57.49 1t96 s PHE 1040Cb -0.13 -2.97 -0.01 0.00 -0.34 0.00 0.00 43.02 39.57 1t96 s PHE 1040CO -0.03 0.06 -0.16 0.21 -1.46 0.00 0.00 175.22 173.85 1t96 s LYS 1041N 0.79 1.50 -0.29 10.12 2.36 -0.19 -0.61 119.74 133.42 1t96 s LYS 1041Ca 0.45 -0.57 -0.23 0.00 -2.55 0.00 0.00 55.97 53.07 1t96 s LYS 1041Cb -0.20 -1.37 0.14 0.00 -1.05 0.00 0.00 37.83 35.35 1t96 s LYS 1041CO 0.24 0.28 1.09 0.45 1.55 0.00 0.00 175.35 178.96 1t96 s SER 1042N -0.14 -0.39 -0.05 1.43 0.15 -1.20 -3.17 113.70 110.32 1t96 s SER 1042Ca 0.01 0.72 -0.21 0.00 0.70 0.00 0.00 55.95 57.17 1t96 s SER 1042Cb -0.09 0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 65.00 1t96 s SER 1042CO 0.01 -0.12 0.61 -0.44 1.20 0.00 0.00 173.24 174.50 1t96 s SER 1043N 0.41 6.92 0.17 5.45 0.01 -0.80 -4.57 113.70 121.29 1t96 s SER 1043Ca 0.01 1.10 0.26 0.00 1.31 0.00 0.00 55.95 58.64 1t96 s SER 1043Cb -0.05 -2.37 0.90 0.00 0.21 0.00 0.00 66.02 64.72 1t96 s SER 1043CO -0.09 -0.01 1.79 2.22 0.41 0.00 0.00 173.24 177.56 1t96 n PHE 1044N 3.35 0.73 -3.69 2.43 1.16 -1.26 -1.81 117.46 118.37 1t96 n PHE 1044Ca -0.05 0.22 -0.12 0.00 -1.87 0.00 0.00 57.45 55.63 1t96 n PHE 1044Cb 0.51 -0.86 -0.09 0.00 -1.61 0.00 0.00 39.48 37.44 1t96 n PHE 1044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1t96 s ASP 1045N -4.18 -0.58 -0.62 5.98 2.15 -1.26 -3.90 116.67 114.25 1t96 s ASP 1045Ca 0.11 1.06 -0.10 0.00 0.43 0.00 0.00 52.55 54.05 1t96 s ASP 1045Cb 0.13 1.03 0.16 0.00 -0.30 0.00 0.00 42.92 43.94 1t96 s ASP 1045CO 0.56 -0.19 0.51 -0.54 -0.17 0.00 0.00 175.17 175.34 1t96 s LYS 1046N 0.72 2.89 0.00 4.34 -0.14 -0.32 -4.94 119.74 122.29 1t96 s LYS 1046Ca -0.04 -2.13 0.28 0.00 -1.36 0.00 0.00 55.97 52.72 1t96 s LYS 1046Cb -0.05 -4.08 1.31 0.00 -1.68 0.00 0.00 37.83 33.34 1t96 s LYS 1046CO -0.05 -1.24 1.93 0.00 -0.76 0.00 0.00 175.35 175.24 1t96 n ALA 1047N 4.36 2.34 -2.64 5.17 0.00 -1.26 -4.15 120.51 124.33 1t96 n ALA 1047Ca 0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 1t96 n ALA 1047Cb 0.42 -1.45 0.03 0.00 0.00 0.00 0.00 19.45 18.45 1t96 n ALA 1047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1t96 n ASN 1048N -1.38 2.28 -4.73 0.00 6.94 -1.26 -5.09 115.26 112.01 1t96 n ASN 1048Ca 0.10 -2.65 -0.35 0.00 -0.02 0.00 0.00 54.58 51.66 1t96 n ASN 1048Cb 0.27 -0.48 0.08 0.00 -2.36 0.00 0.00 39.78 37.29 1t96 n ASN 1048CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1t96 s ARG 1049N -3.52 2.39 0.07 -3.83 1.81 -1.26 -4.92 118.95 109.69 1t96 s ARG 1049Ca 0.32 1.88 -0.22 0.00 -1.72 0.00 0.00 55.73 55.99 1t96 s ARG 1049Cb 0.39 -1.85 -0.13 0.00 -0.45 0.00 0.00 34.95 32.91 1t96 s ARG 1049CO -0.02 -1.67 1.59 0.77 -0.68 0.00 0.00 175.30 175.29 1t96 h SER 1050N 0.16 0.14 -2.90 0.23 0.02 -1.98 -3.43 113.55 105.79 1t96 h SER 1050Ca -0.49 -0.18 -0.63 0.00 -0.84 0.00 0.00 61.79 59.65 1t96 h SER 1050Cb 1.31 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.76 1t96 h SER 1050CO 0.52 0.29 -0.35 -0.55 -1.14 0.00 0.00 176.83 175.59 1t96 s SER 1051N -5.51 6.55 0.31 3.07 0.15 -1.26 -4.97 113.70 112.05 1t96 s SER 1051Ca -0.14 0.65 0.25 0.00 0.70 0.00 0.00 55.95 57.41 1t96 s SER 1051Cb 0.06 -2.13 1.11 0.00 -1.71 0.00 0.00 66.02 63.35 1t96 s SER 1051CO 0.69 0.29 1.75 -0.29 1.20 0.00 0.00 173.24 176.87 1t96 h ILE 1052N 3.33 0.00 -0.02 6.45 6.09 -2.02 -2.63 117.51 128.71 1t96 h ILE 1052Ca -0.51 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 1t96 h ILE 1052Cb 1.21 0.90 0.00 0.00 0.47 0.00 0.00 36.82 39.40 1t96 h ILE 1052CO 0.64 0.00 -0.12 1.41 -3.07 0.00 0.00 178.15 177.00 1t96 n HIS 1053N -2.35 0.00 -2.28 2.19 8.25 -1.26 -4.97 115.22 114.81 1t96 n HIS 1053Ca 0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.18 1t96 n HIS 1053Cb 0.18 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.28 1t96 n HIS 1053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1t96 s SER 1054N -2.17 6.09 0.10 0.41 0.01 -1.00 -5.01 113.70 112.13 1t96 s SER 1054Ca 0.30 1.08 -0.31 0.00 1.31 0.00 0.00 55.95 58.33 1t96 s SER 1054Cb 0.20 -2.22 -0.09 0.00 0.21 0.00 0.00 66.02 64.11 1t96 s SER 1054CO 0.40 -0.81 1.71 0.12 0.41 0.00 0.00 173.24 175.07 1t96 s PHE 1055N -2.98 2.39 -0.21 2.43 5.36 -1.26 -4.92 117.98 118.79 1t96 s PHE 1055Ca 0.52 0.22 -0.03 0.00 -0.96 0.00 0.00 56.93 56.68 1t96 s PHE 1055Cb -0.11 -4.05 -0.12 0.00 -0.34 0.00 0.00 43.02 38.41 1t96 s PHE 1055CO 0.49 -4.21 -0.22 0.54 -1.46 0.00 0.00 175.22 170.36 1t96 n ARG 1056N 5.44 0.49 -1.43 10.12 1.74 -1.26 -4.77 116.66 126.99 1t96 n ARG 1056Ca 0.16 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1t96 n ARG 1056Cb 0.39 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1t96 n ARG 1056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t96 n GLY 1057N 2.21 -0.01 1.05 -0.13 0.00 -1.26 -1.18 105.19 105.88 1t96 n GLY 1057Ca -0.38 -1.69 0.07 0.00 0.00 0.00 0.00 46.02 44.02 1t96 n GLY 1057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1t96 n HIS 1058N 5.92 1.13 0.00 1.61 8.25 -1.25 -5.05 115.22 125.82 1t96 n HIS 1058Ca 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 1t96 n HIS 1058Cb 0.00 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1t96 n HIS 1058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1t96 n GLY 1059N -0.42 0.12 0.09 -1.41 0.00 -1.25 -4.40 105.19 97.90 1t96 n GLY 1059Ca 0.23 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1t96 n GLY 1059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1t96 h LEU 1060N 0.00 -0.11 0.01 0.99 5.85 -1.98 -1.49 115.31 118.58 1t96 h LEU 1060Ca 0.00 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1t96 h LEU 1060Cb 0.00 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1t96 h LEU 1060CO 0.00 -0.05 -0.32 -0.08 -0.34 0.00 0.00 178.44 177.65 1t96 h GLU 1061N -0.16 -0.46 -0.59 1.25 4.81 -1.98 0.68 114.58 118.13 1t96 h GLU 1061Ca -0.01 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1t96 h GLU 1061Cb 0.13 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1t96 h GLU 1061CO 0.02 -0.30 0.31 -0.92 -0.73 0.00 0.00 179.01 177.39 1t96 h TYR 1062N -0.47 0.57 0.08 0.92 3.20 -1.76 -1.75 116.97 117.75 1t96 h TYR 1062Ca 0.06 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1t96 h TYR 1062Cb 0.56 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1t96 h TYR 1062CO -0.34 0.28 -0.04 0.78 -1.64 0.00 0.00 178.16 177.20 1t96 h GLY 1063N 0.59 -0.11 1.18 1.82 0.00 -0.63 -0.44 103.07 105.47 1t96 h GLY 1063Ca 0.26 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.64 1t96 h GLY 1063CO -0.17 -0.04 0.54 -2.08 0.00 0.00 0.00 176.54 174.79 1t96 h VAL 1064N -0.16 1.20 -0.52 4.60 2.07 -0.76 -0.08 116.25 122.60 1t96 h VAL 1064Ca -0.01 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1t96 h VAL 1064Cb 0.13 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1t96 h VAL 1064CO 0.02 0.20 0.07 0.50 0.02 0.00 0.00 177.57 178.38 1t96 h LYS 1065N 1.10 0.88 -0.41 1.57 3.64 -1.00 0.14 116.57 122.49 1t96 h LYS 1065Ca 0.30 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 1t96 h LYS 1065Cb -0.11 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1t96 h LYS 1065CO -0.07 0.87 -0.33 0.00 -2.27 0.00 0.00 179.45 177.65 1t96 h ALA 1066N 0.98 0.64 -0.55 5.00 0.00 -0.56 -2.27 119.26 122.50 1t96 h ALA 1066Ca 0.16 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1t96 h ALA 1066Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1t96 h ALA 1066CO 0.01 0.68 0.23 -0.07 0.00 0.00 0.00 179.25 180.09 1t96 h LEU 1067N 0.78 0.76 -1.50 0.00 3.38 -0.80 -2.38 115.31 115.55 1t96 h LEU 1067Ca 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1t96 h LEU 1067Cb 0.91 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1t96 h LEU 1067CO 0.08 0.72 0.22 -0.09 0.09 0.00 0.00 178.44 179.46 1t96 h ARG 1068N 0.75 0.55 -0.41 1.13 2.43 -0.55 -1.23 114.38 117.05 1t96 h ARG 1068Ca 0.18 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1t96 h ARG 1068Cb 0.19 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1t96 h ARG 1068CO -0.02 0.41 0.02 -0.22 -1.51 0.00 0.00 179.97 178.66 1t96 h LYS 1069N 0.56 0.65 -0.25 0.20 1.63 -0.90 0.24 116.57 118.70 1t96 h LYS 1069Ca 0.15 -0.15 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1t96 h LYS 1069Cb 0.03 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1t96 h LYS 1069CO -0.02 0.66 -0.14 0.28 -3.45 0.00 0.00 179.45 176.78 1t96 h VAL 1070N 0.62 1.30 -0.59 2.00 2.07 -0.94 0.28 116.25 120.99 1t96 h VAL 1070Ca 0.13 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1t96 h VAL 1070Cb 0.37 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1t96 h VAL 1070CO 0.01 0.39 0.26 0.50 0.02 0.00 0.00 177.57 178.75 1t96 h LYS 1071N 0.27 0.87 0.92 1.57 3.64 -1.07 -0.42 116.57 122.36 1t96 h LYS 1071Ca 0.05 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1t96 h LYS 1071Cb 0.66 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1t96 h LYS 1071CO 0.04 0.73 -0.44 1.49 -2.27 0.00 0.00 179.45 179.00 1t96 h GLU 1072N 0.82 -1.19 -0.01 1.90 4.81 -0.87 0.23 114.58 120.27 1t96 h GLU 1072Ca 0.20 0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 1t96 h GLU 1072Cb 0.17 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1t96 h GLU 1072CO -0.02 -0.79 -0.30 1.49 -0.73 0.00 0.00 179.01 178.66 1t96 h GLU 1073N -1.32 0.03 -0.00 1.92 4.81 -0.94 -3.32 114.58 115.76 1t96 h GLU 1073Ca -0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1t96 h GLU 1073Cb 0.95 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1t96 h GLU 1073CO 0.21 0.32 -0.04 1.19 -0.73 0.00 0.00 179.01 179.96 1t96 n PHE 1074N -4.18 0.00 -2.14 0.92 3.72 -0.17 -5.00 117.46 110.61 1t96 n PHE 1074Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1t96 n PHE 1074Cb 0.35 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.87 1t96 n PHE 1074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1t96 n GLY 1075N 0.46 0.10 3.84 1.37 0.00 0.82 -4.98 105.19 106.81 1t96 n GLY 1075Ca 0.01 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1t96 n GLY 1075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t96 s LEU 1076N -4.65 4.44 0.61 0.99 1.02 -1.24 -5.05 118.68 114.81 1t96 s LEU 1076Ca 0.00 0.93 -0.17 0.00 0.02 0.00 0.00 54.13 54.92 1t96 s LEU 1076Cb 0.00 -2.73 -0.02 0.00 0.02 0.00 0.00 46.19 43.46 1t96 s LEU 1076CO 0.00 0.27 1.11 -0.54 0.02 0.00 0.00 176.35 177.22 1t96 s LYS 1077N -1.34 3.04 0.07 1.70 1.02 -1.26 -4.40 119.74 118.56 1t96 s LYS 1077Ca 0.27 1.46 0.08 0.00 0.02 0.00 0.00 55.97 57.79 1t96 s LYS 1077Cb -0.16 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 1t96 s LYS 1077CO 0.15 -1.07 -0.21 0.42 -0.92 0.00 0.00 175.35 173.71 1t96 s ILE 1078N -2.14 1.72 -0.07 2.17 -1.09 -1.26 -0.37 121.20 120.16 1t96 s ILE 1078Ca 0.69 -1.36 -0.07 0.00 -2.23 0.00 0.00 60.65 57.69 1t96 s ILE 1078Cb -0.21 -1.52 0.02 0.00 -1.58 0.00 0.00 42.46 39.16 1t96 s ILE 1078CO 0.36 0.11 0.19 0.28 -1.23 0.00 0.00 174.94 174.65 1t96 s THR 1079N -0.94 -0.00 0.11 2.92 -1.32 0.22 -0.13 115.64 116.50 1t96 s THR 1079Ca 0.07 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.40 1t96 s THR 1079Cb -0.09 -0.27 0.03 0.00 -1.51 0.00 0.00 72.50 70.66 1t96 s THR 1079CO 0.03 0.00 0.39 0.28 -2.21 0.00 0.00 174.62 173.11 1t96 s THR 1080N 0.11 0.07 0.03 5.08 -1.32 -1.23 -3.25 115.64 115.14 1t96 s THR 1080Ca -0.00 -0.60 -0.01 0.00 -1.21 0.00 0.00 61.69 59.87 1t96 s THR 1080Cb -0.01 -1.15 -0.04 0.00 -1.51 0.00 0.00 72.50 69.78 1t96 s THR 1080CO 0.00 -0.33 0.20 1.51 -2.21 0.00 0.00 174.62 173.79 1t96 s ASP 1081N -2.72 6.36 0.23 8.08 -4.77 -1.26 -1.93 116.67 120.66 1t96 s ASP 1081Ca 0.02 0.30 0.08 0.00 -3.30 0.00 0.00 52.55 49.65 1t96 s ASP 1081Cb 0.02 -1.97 -0.04 0.00 -1.09 0.00 0.00 42.92 39.83 1t96 s ASP 1081CO -0.11 0.21 0.06 0.27 0.70 0.00 0.00 175.17 176.30 1t96 s ILE 1082N -1.43 3.88 0.00 2.11 -4.36 -0.96 -4.79 121.20 115.65 1t96 s ILE 1082Ca 0.32 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1t96 s ILE 1082Cb -0.13 -3.04 0.00 0.00 1.25 0.00 0.00 42.46 40.54 1t96 s ILE 1082CO 0.24 -0.27 0.00 1.41 0.24 0.00 0.00 174.94 176.55 1t96 n HIS 1083N -0.71 0.00 -3.83 1.37 8.25 -1.26 -4.43 115.22 114.61 1t96 n HIS 1083Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 1t96 n HIS 1083Cb 0.57 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.60 1t96 n HIS 1083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1t96 s GLU 1084N -1.25 0.68 0.28 -0.41 2.02 -1.26 -5.07 118.70 113.68 1t96 s GLU 1084Ca 0.00 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1t96 s GLU 1084Cb 0.00 0.29 0.64 0.00 0.10 0.00 0.00 34.13 35.16 1t96 s GLU 1084CO 0.00 -0.20 1.71 0.77 0.02 0.00 0.00 175.26 177.56 1t96 h SER 1085N 3.55 0.32 0.09 -0.19 0.02 -1.91 -1.53 113.55 113.91 1t96 h SER 1085Ca -0.32 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1t96 h SER 1085Cb 1.19 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1t96 h SER 1085CO 0.46 0.04 0.00 4.11 -1.14 0.00 0.00 176.83 180.31 1t96 h TRP 1086N 0.43 0.00 0.00 3.45 5.08 -1.97 -2.27 115.95 120.67 1t96 h TRP 1086Ca 0.51 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.48 1t96 h TRP 1086Cb 0.91 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.07 1t96 h TRP 1086CO -0.15 0.00 -0.03 1.96 -1.28 0.00 0.00 178.44 178.94 1t96 h GLN 1087N 0.00 0.00 -0.11 0.12 4.20 -1.70 -3.36 115.11 114.26 1t96 h GLN 1087Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1t96 h GLN 1087Cb 0.04 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1t96 h GLN 1087CO 0.00 0.03 -0.15 0.00 -0.67 0.00 0.00 178.83 178.04 1t96 h ALA 1088N 1.97 -0.09 0.57 3.87 0.00 -1.55 -1.84 119.26 122.18 1t96 h ALA 1088Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1t96 h ALA 1088Cb 0.95 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1t96 h ALA 1088CO 0.00 -0.61 -0.33 1.49 0.00 0.00 0.00 179.25 179.81 1t96 h GLU 1089N -0.20 -0.81 -0.50 0.00 4.81 -1.79 0.13 114.58 116.22 1t96 h GLU 1089Ca 0.09 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1t96 h GLU 1089Cb 0.33 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1t96 h GLU 1089CO -0.23 -0.54 0.29 -1.00 -0.73 0.00 0.00 179.01 176.80 1t96 h PRO 1090N -0.84 0.68 -0.05 0.92 0.13 -1.76 -2.61 132.00 128.47 1t96 h PRO 1090Ca -0.07 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 64.84 1t96 h PRO 1090Cb 0.67 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1t96 h PRO 1090CO 0.08 0.49 -0.68 0.28 -0.23 0.00 0.00 178.00 177.94 1t96 h VAL 1091N 0.69 1.42 0.00 1.56 2.07 -1.12 -3.07 116.25 117.80 1t96 h VAL 1091Ca 0.18 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1t96 h VAL 1091Cb -0.01 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1t96 h VAL 1091CO -0.03 0.64 0.00 0.00 0.02 0.00 0.00 177.57 178.20 1t96 h ALA 1092N 1.14 1.00 0.00 1.67 0.00 -0.34 -1.40 119.26 121.33 1t96 h ALA 1092Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1t96 h ALA 1092Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1t96 h ALA 1092CO 0.10 0.00 -0.22 0.93 0.00 0.00 0.00 179.25 180.07 1t96 h GLU 1093N 0.00 0.00 0.00 0.00 5.08 -1.55 -3.33 114.58 114.78 1t96 h GLU 1093Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1t96 h GLU 1093Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1t96 h GLU 1093CO 0.00 0.22 -1.14 1.55 -1.00 0.00 0.00 179.01 178.64 1t96 n VAL 1094N -3.83 0.14 -2.61 3.13 3.14 -1.02 -5.02 118.33 112.26 1t96 n VAL 1094Ca -0.02 -0.08 -0.43 0.00 -2.96 0.00 0.00 64.34 60.86 1t96 n VAL 1094Cb 0.31 -0.86 -0.02 0.00 -1.06 0.00 0.00 33.84 32.21 1t96 n VAL 1094CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1t96 s ALA 1095N -2.05 3.48 0.05 1.55 0.00 -0.56 -4.53 121.76 119.69 1t96 s ALA 1095Ca -0.02 0.41 0.10 0.00 0.00 0.00 0.00 51.96 52.46 1t96 s ALA 1095Cb 0.01 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1t96 s ALA 1095CO 0.08 -0.73 1.37 -0.44 0.00 0.00 0.00 175.76 176.03 1t96 h ASP 1096N 7.29 0.00 -3.30 0.00 3.32 -0.84 -3.43 116.42 119.46 1t96 h ASP 1096Ca -0.30 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.26 1t96 h ASP 1096Cb 1.14 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.33 1t96 h ASP 1096CO 0.88 0.80 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.77 1t96 s ILE 1097N -2.89 0.90 -0.20 0.35 1.01 -0.81 -1.95 121.20 117.62 1t96 s ILE 1097Ca 0.02 -0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.24 1t96 s ILE 1097Cb 0.09 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1t96 s ILE 1097CO 0.79 0.33 0.42 -0.63 0.00 0.00 0.00 174.94 175.85 1t96 s ILE 1098N 1.33 5.18 -0.07 2.92 1.01 0.12 -3.51 121.20 128.18 1t96 s ILE 1098Ca -0.03 0.75 -0.15 0.00 0.00 0.00 0.00 60.65 61.22 1t96 s ILE 1098Cb -0.14 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1t96 s ILE 1098CO -0.03 0.24 0.38 -1.58 0.00 0.00 0.00 174.94 173.94 1t96 s GLN 1099N 1.38 4.04 -0.23 2.79 0.74 -0.81 -0.78 119.66 126.79 1t96 s GLN 1099Ca 0.20 0.32 -0.06 0.00 0.05 0.00 0.00 55.36 55.87 1t96 s GLN 1099Cb -0.15 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.64 1t96 s GLN 1099CO 0.08 0.50 0.02 0.42 -0.55 0.00 0.00 175.29 175.75 1t96 s ILE 1100N -0.41 3.89 0.58 -2.34 -1.09 0.19 -2.26 121.20 119.75 1t96 s ILE 1100Ca 0.22 -0.32 -0.20 0.00 -2.23 0.00 0.00 60.65 58.12 1t96 s ILE 1100Cb -0.15 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1t96 s ILE 1100CO 0.10 0.38 1.24 -2.65 -1.23 0.00 0.00 174.94 172.78 1t96 n PRO 1101N 4.79 1.35 -0.17 2.79 -0.02 -1.26 -1.21 135.00 141.26 1t96 n PRO 1101Ca -0.17 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 61.81 1t96 n PRO 1101Cb 0.51 -2.45 0.08 0.00 -0.02 0.00 0.00 33.50 31.62 1t96 n PRO 1101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t96 h ALA 1102N 1.00 0.55 0.00 3.55 0.00 -1.89 -0.60 119.26 121.87 1t96 h ALA 1102Ca -0.50 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1t96 h ALA 1102Cb 1.33 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1t96 h ALA 1102CO 0.55 -0.37 -0.04 0.74 0.00 0.00 0.00 179.25 180.13 1t96 h PHE 1103N 0.15 0.00 -0.39 0.00 0.04 -1.92 -2.84 116.94 111.98 1t96 h PHE 1103Ca 0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.05 1t96 h PHE 1103Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1t96 h PHE 1103CO -0.31 0.04 0.00 1.28 -0.60 0.00 0.00 178.31 178.72 1t96 n LEU 1104N -3.20 3.24 0.10 1.54 4.77 -0.33 -4.61 117.00 118.51 1t96 n LEU 1104Ca -0.01 -1.65 0.06 0.00 -0.03 0.00 0.00 56.01 54.38 1t96 n LEU 1104Cb 0.25 -0.26 0.31 0.00 -2.33 0.00 0.00 43.42 41.39 1t96 n LEU 1104CO 0.26 0.74 0.69 0.00 -1.33 0.00 0.00 177.39 177.76 1t96 n GLY 1106N -1.34 -0.19 3.55 0.00 0.00 -1.26 -4.93 105.19 101.03 1t96 n GLY 1106Ca -0.01 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1t96 n GLY 1106CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t96 s GLN 1107N -2.07 2.67 0.25 1.61 -1.52 -0.44 -4.88 119.66 115.28 1t96 s GLN 1107Ca 0.10 0.28 -0.05 0.00 -1.95 0.00 0.00 55.36 53.74 1t96 s GLN 1107Cb 0.12 -4.57 0.48 0.00 -0.22 0.00 0.00 33.01 28.83 1t96 s GLN 1107CO 0.48 -2.84 1.64 1.15 -0.25 0.00 0.00 175.29 175.47 1t96 h THR 1108N 6.92 0.33 -0.73 -0.19 2.02 -1.91 -1.97 112.91 117.38 1t96 h THR 1108Ca -0.16 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1t96 h THR 1108Cb 1.11 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1t96 h THR 1108CO 1.23 0.02 0.31 0.44 0.37 0.00 0.00 175.52 177.89 1t96 h ASP 1109N 0.12 0.99 -0.52 4.18 3.32 -1.98 -0.44 116.42 122.08 1t96 h ASP 1109Ca 0.44 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 1t96 h ASP 1109Cb 0.79 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1t96 h ASP 1109CO -0.67 0.88 -0.05 0.25 -1.72 0.00 0.00 179.24 177.93 1t96 h LEU 1110N 1.03 0.95 -0.12 1.55 5.85 -1.77 0.55 115.31 123.37 1t96 h LEU 1110Ca 0.24 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1t96 h LEU 1110Cb 0.18 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1t96 h LEU 1110CO -0.02 1.06 0.05 -0.07 -0.34 0.00 0.00 178.44 179.12 1t96 h LEU 1111N 0.83 0.15 -1.21 2.25 3.38 -1.14 -1.92 115.31 117.65 1t96 h LEU 1111Ca 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1t96 h LEU 1111Cb 0.60 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1t96 h LEU 1111CO 0.04 0.23 0.34 -0.07 0.09 0.00 0.00 178.44 179.07 1t96 h LEU 1112N 0.06 0.79 -0.44 1.67 4.07 -0.92 -0.83 115.31 119.70 1t96 h LEU 1112Ca 0.04 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 1t96 h LEU 1112Cb 0.12 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1t96 h LEU 1112CO -0.00 0.64 0.06 0.00 -1.08 0.00 0.00 178.44 178.06 1t96 h ALA 1113N 1.49 0.59 -0.26 1.53 0.00 -0.69 -2.54 119.26 119.38 1t96 h ALA 1113Ca 0.22 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1t96 h ALA 1113Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1t96 h ALA 1113CO -0.04 0.32 -0.14 0.00 0.00 0.00 0.00 179.25 179.39 1t96 h ALA 1114N 0.94 0.37 -0.96 0.00 0.00 -1.05 -3.27 119.26 115.30 1t96 h ALA 1114Ca 0.13 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1t96 h ALA 1114Cb 0.39 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1t96 h ALA 1114CO 0.01 0.26 0.62 0.00 0.00 0.00 0.00 179.25 180.14 1t96 h ALA 1115N 0.73 1.45 0.00 0.00 0.00 -1.05 -2.71 119.26 117.68 1t96 h ALA 1115Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1t96 h ALA 1115Cb 0.66 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1t96 h ALA 1115CO 0.04 0.42 0.00 0.36 0.00 0.00 0.00 179.25 180.07 1t96 n LYS 1116N -4.48 0.43 0.25 0.00 2.85 -0.97 -2.89 118.16 113.34 1t96 n LYS 1116Ca 0.14 0.04 0.14 0.00 -1.05 0.00 0.00 58.31 57.59 1t96 n LYS 1116Cb 0.17 -1.50 0.41 0.00 -0.65 0.00 0.00 35.03 33.46 1t96 n LYS 1116CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1t96 h THR 1117N 0.00 0.00 0.00 0.58 1.35 -1.59 -3.47 112.91 109.78 1t96 h THR 1117Ca 0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1t96 h THR 1117Cb 0.20 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1t96 h THR 1117CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1t96 n GLY 1118N 0.61 1.32 3.91 5.82 0.00 -1.14 -5.05 105.19 110.64 1t96 n GLY 1118Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1t96 n GLY 1118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t96 s ARG 1119N -0.49 2.06 0.58 1.61 1.81 -1.26 -4.93 118.95 118.33 1t96 s ARG 1119Ca 0.00 0.05 -0.16 0.00 -1.72 0.00 0.00 55.73 53.90 1t96 s ARG 1119Cb 0.00 -2.00 -0.04 0.00 -0.45 0.00 0.00 34.95 32.45 1t96 s ARG 1119CO 0.00 -1.49 1.04 0.00 -0.68 0.00 0.00 175.30 174.17 1t96 s ALA 1120N -3.49 2.82 -0.08 2.13 0.00 -0.82 -4.76 121.76 117.55 1t96 s ALA 1120Ca 0.61 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.90 1t96 s ALA 1120Cb -0.11 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1t96 s ALA 1120CO 0.48 -0.69 -0.10 0.08 0.00 0.00 0.00 175.76 175.53 1t96 s VAL 1121N -2.53 1.05 -0.24 0.00 1.01 -0.39 0.11 120.40 119.41 1t96 s VAL 1121Ca 0.62 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1t96 s VAL 1121Cb -0.14 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1t96 s VAL 1121CO 0.37 0.35 -0.08 0.21 0.00 0.00 0.00 175.10 175.95 1t96 s ASN 1122N 1.10 4.18 -0.23 3.32 2.47 0.04 -1.05 114.94 124.77 1t96 s ASN 1122Ca -0.06 -0.86 -0.10 0.00 0.42 0.00 0.00 52.86 52.25 1t96 s ASN 1122Cb -0.14 -1.64 -0.05 0.00 -1.45 0.00 0.00 41.25 37.97 1t96 s ASN 1122CO -0.01 -0.11 0.15 -0.69 -3.72 0.00 0.00 177.10 172.71 1t96 s VAL 1123N 1.31 5.30 -0.05 -5.21 1.01 -0.59 -0.64 120.40 121.53 1t96 s VAL 1123Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1t96 s VAL 1123Cb -0.16 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1t96 s VAL 1123CO -0.05 0.36 0.99 -0.54 0.00 0.00 0.00 175.10 175.86 1t96 s LYS 1124N 0.97 4.49 -0.03 2.72 -0.14 -0.35 0.15 119.74 127.55 1t96 s LYS 1124Ca 0.07 1.41 -0.30 0.00 -1.36 0.00 0.00 55.97 55.79 1t96 s LYS 1124Cb -0.13 -3.50 -0.05 0.00 -1.68 0.00 0.00 37.83 32.47 1t96 s LYS 1124CO 0.04 -0.18 1.47 0.21 -0.76 0.00 0.00 175.35 176.13 1t96 s LYS 1125N 1.50 4.24 0.58 1.68 2.20 -0.12 -3.86 119.74 125.95 1t96 s LYS 1125Ca 0.50 2.02 -0.19 0.00 -0.36 0.00 0.00 55.97 57.94 1t96 s LYS 1125Cb -0.20 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.36 1t96 s LYS 1125CO 0.23 -0.68 0.85 0.41 -0.36 0.00 0.00 175.35 175.81 1t96 n GLY 1126N 3.80 -0.62 0.09 5.54 0.00 -1.24 -4.57 105.19 108.19 1t96 n GLY 1126Ca 0.15 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1t96 n GLY 1126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1t96 n GLN 1127N -0.68 0.12 0.00 1.61 3.00 -1.26 -1.97 117.38 118.20 1t96 n GLN 1127Ca 0.13 0.42 0.09 0.00 -0.01 0.00 0.00 57.00 57.63 1t96 n GLN 1127Cb 0.47 -1.75 0.01 0.00 0.00 0.00 0.00 30.24 28.97 1t96 n GLN 1127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1t96 n PHE 1128N -1.97 0.00 -3.42 1.08 -1.74 -1.26 -1.09 117.46 109.06 1t96 n PHE 1128Ca 0.02 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.53 1t96 n PHE 1128Cb 0.16 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.10 1t96 n PHE 1128CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1t96 s LEU 1129N -2.04 4.28 0.51 5.98 2.96 -0.83 -5.06 118.68 124.48 1t96 s LEU 1129Ca 0.16 0.70 -0.20 0.00 -0.22 0.00 0.00 54.13 54.57 1t96 s LEU 1129Cb 0.15 -2.55 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 1t96 s LEU 1129CO 0.41 0.07 1.08 0.00 -1.32 0.00 0.00 176.35 176.59 1t96 s ALA 1130N 0.42 2.79 0.23 5.97 0.00 -1.26 -4.87 121.76 125.04 1t96 s ALA 1130Ca 0.22 0.71 -0.07 0.00 0.00 0.00 0.00 51.96 52.82 1t96 s ALA 1130Cb -0.14 -3.30 0.30 0.00 0.00 0.00 0.00 23.12 19.97 1t96 s ALA 1130CO 0.08 -0.53 1.83 -1.35 0.00 0.00 0.00 175.76 175.79 1t96 h PRO 1131N 1.38 0.82 0.00 0.00 0.11 -1.97 -1.99 132.00 130.34 1t96 h PRO 1131Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1t96 h PRO 1131Cb 1.24 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1t96 h PRO 1131CO 0.58 0.54 0.00 0.11 -0.21 0.00 0.00 178.00 179.02 1t96 h TRP 1132N 0.84 0.00 -0.05 0.65 0.09 -1.93 -2.41 115.95 113.14 1t96 h TRP 1132Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.33 1t96 h TRP 1132Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.43 1t96 h TRP 1132CO -0.05 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.23 1t96 n ASP 1133N -2.99 0.64 0.03 0.11 8.00 -0.75 -3.01 116.55 118.58 1t96 n ASP 1133Ca -0.00 -1.48 0.14 0.00 0.71 0.00 0.00 54.79 54.15 1t96 n ASP 1133Cb 0.23 -0.03 0.53 0.00 -0.02 0.00 0.00 41.12 41.83 1t96 n ASP 1133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1t96 n THR 1134N -0.39 0.16 -0.09 -3.53 -2.24 -0.91 -3.72 114.28 103.57 1t96 n THR 1134Ca 0.16 -0.08 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 1t96 n THR 1134Cb 0.17 -0.47 0.01 0.00 -2.10 0.00 0.00 70.33 67.94 1t96 n THR 1134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1t96 h LYS 1135N 0.00 0.15 0.00 -0.78 3.64 -1.75 -1.22 116.57 116.62 1t96 h LYS 1135Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1t96 h LYS 1135Cb 0.57 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1t96 h LYS 1135CO 0.00 0.10 0.00 -0.91 -2.27 0.00 0.00 179.45 176.37 1t96 h ASN 1136N 0.16 0.00 -0.18 4.20 2.35 -1.83 -1.41 115.58 118.86 1t96 h ASN 1136Ca 0.15 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 1t96 h ASN 1136Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1t96 h ASN 1136CO -0.22 0.00 -0.47 0.58 -1.65 0.00 0.00 177.43 175.67 1t96 h VAL 1137N 0.00 1.32 -0.56 2.81 2.07 -1.41 -1.60 116.25 118.89 1t96 h VAL 1137Ca 0.00 -1.71 -0.10 0.00 0.82 0.00 0.00 66.70 65.70 1t96 h VAL 1137Cb 0.43 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1t96 h VAL 1137CO 0.00 0.53 -0.05 0.58 0.02 0.00 0.00 177.57 178.66 1t96 h VAL 1138N 0.33 1.27 -0.32 2.57 2.07 -0.92 -2.62 116.25 118.62 1t96 h VAL 1138Ca -0.01 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.36 1t96 h VAL 1138Cb 1.09 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1t96 h VAL 1138CO 0.10 0.42 0.11 -0.08 0.02 0.00 0.00 177.57 178.15 1t96 h GLU 1139N 0.89 0.25 -0.40 1.57 4.81 -1.16 0.02 114.58 120.56 1t96 h GLU 1139Ca 0.15 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1t96 h GLU 1139Cb 0.60 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1t96 h GLU 1139CO 0.04 0.16 0.14 0.87 -0.73 0.00 0.00 179.01 179.49 1t96 h LYS 1140N 0.25 0.30 -0.60 1.92 1.57 -1.18 -0.45 116.57 118.38 1t96 h LYS 1140Ca 0.14 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1t96 h LYS 1140Cb 0.11 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1t96 h LYS 1140CO -0.14 0.20 0.37 -0.07 -0.57 0.00 0.00 179.45 179.24 1t96 h LEU 1141N 0.30 0.71 -0.70 2.94 3.38 -1.02 -0.67 115.31 120.26 1t96 h LEU 1141Ca 0.19 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1t96 h LEU 1141Cb 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1t96 h LEU 1141CO -0.19 0.55 0.34 0.11 0.09 0.00 0.00 178.44 179.33 1t96 h LYS 1142N 0.81 1.00 -0.68 1.13 1.57 -0.63 -0.33 116.57 119.44 1t96 h LYS 1142Ca 0.22 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1t96 h LYS 1142Cb -0.04 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 1t96 h LYS 1142CO -0.04 0.79 0.45 0.35 -0.57 0.00 0.00 179.45 180.42 1t96 h PHE 1143N 0.97 0.71 -0.05 -1.35 3.57 -0.57 -1.07 116.94 119.15 1t96 h PHE 1143Ca 0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1t96 h PHE 1143Cb 0.12 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1t96 h PHE 1143CO 0.01 0.38 0.00 0.41 -2.23 0.00 0.00 178.31 176.88 1t96 n GLY 1144N -1.46 -0.33 0.00 2.40 0.00 -0.30 -4.92 105.19 100.58 1t96 n GLY 1144Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1t96 n GLY 1144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t96 n GLY 1145N 1.05 0.72 3.68 -0.02 0.00 -0.41 -3.24 105.19 106.98 1t96 n GLY 1145Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1t96 n GLY 1145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t96 s ALA 1146N -2.00 3.55 -0.09 4.61 0.00 -0.23 -4.86 121.76 122.73 1t96 s ALA 1146Ca 0.00 0.71 0.19 0.00 0.00 0.00 0.00 51.96 52.86 1t96 s ALA 1146Cb 0.00 -3.56 -0.28 0.00 0.00 0.00 0.00 23.12 19.28 1t96 s ALA 1146CO 0.00 -0.87 0.29 1.63 0.00 0.00 0.00 175.76 176.81 1t96 n LYS 1147N 5.45 0.74 -3.96 0.00 5.02 -1.26 -4.38 118.16 119.77 1t96 n LYS 1147Ca 0.12 -0.11 -0.31 0.00 -2.02 0.00 0.00 58.31 55.99 1t96 n LYS 1147Cb 0.45 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.82 1t96 n LYS 1147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1t96 s GLU 1148N -3.02 1.71 -0.02 1.97 2.12 -1.26 -5.11 118.70 115.09 1t96 s GLU 1148Ca -0.08 -1.11 0.06 0.00 0.36 0.00 0.00 54.97 54.20 1t96 s GLU 1148Cb 0.10 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 1t96 s GLU 1148CO 0.82 -0.62 -0.21 0.42 -0.54 0.00 0.00 175.26 175.13 1t96 s ILE 1149N 1.32 1.67 0.11 -3.70 1.01 -1.26 -1.27 121.20 119.08 1t96 s ILE 1149Ca -0.05 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 59.77 1t96 s ILE 1149Cb -0.19 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1t96 s ILE 1149CO -0.07 0.47 -0.16 -0.31 0.00 0.00 0.00 174.94 174.87 1t96 s TYR 1150N -0.44 1.52 -0.11 3.97 1.51 -0.22 -2.88 117.35 120.70 1t96 s TYR 1150Ca 0.07 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 1t96 s TYR 1150Cb -0.09 -0.81 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1t96 s TYR 1150CO -0.00 0.17 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.90 1t96 s LEU 1151N -2.16 1.90 -0.22 -1.29 1.43 -0.07 -1.54 118.68 116.73 1t96 s LEU 1151Ca 0.07 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1t96 s LEU 1151Cb -0.08 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1t96 s LEU 1151CO 0.04 0.08 0.07 -0.89 0.23 0.00 0.00 176.35 175.87 1t96 s THR 1152N 0.70 4.49 -0.24 5.49 2.01 0.12 -1.22 115.64 126.99 1t96 s THR 1152Ca -0.12 -0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.48 1t96 s THR 1152Cb -0.16 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.29 1t96 s THR 1152CO 0.02 0.38 1.00 -0.70 -0.69 0.00 0.00 174.62 174.64 1t96 s GLU 1153N 1.12 4.22 -0.06 4.92 2.56 -0.04 -0.94 118.70 130.48 1t96 s GLU 1153Ca 0.04 1.24 0.16 0.00 0.00 0.00 0.00 54.97 56.41 1t96 s GLU 1153Cb -0.14 -3.65 0.31 0.00 2.00 0.00 0.00 34.13 32.65 1t96 s GLU 1153CO 0.03 -0.64 1.14 2.89 -0.56 0.00 0.00 175.26 178.13 1t96 n ARG 1154N 6.31 0.50 0.00 4.30 -4.01 -1.26 -1.21 116.66 121.29 1t96 n ARG 1154Ca 0.11 -2.13 0.00 0.00 -1.04 0.00 0.00 57.85 54.79 1t96 n ARG 1154Cb 0.46 -0.64 0.00 0.00 -3.04 0.00 0.00 32.46 29.24 1t96 n ARG 1154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1t96 n GLY 1155N -0.19 1.12 3.05 2.89 0.00 -1.26 -3.87 105.19 106.93 1t96 n GLY 1155Ca 0.09 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.09 1t96 n GLY 1155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t96 s THR 1156N -2.58 0.67 0.09 2.61 2.01 0.11 -4.37 115.64 114.18 1t96 s THR 1156Ca 0.00 -0.77 -0.33 0.00 0.31 0.00 0.00 61.69 60.90 1t96 s THR 1156Cb 0.00 -0.64 -0.12 0.00 0.01 0.00 0.00 72.50 71.74 1t96 s THR 1156CO 0.00 -0.10 1.75 0.41 -0.69 0.00 0.00 174.62 175.99 1t96 n THR 1157N 2.10 0.26 -3.61 -0.82 -1.04 -0.25 -1.21 114.28 109.72 1t96 n THR 1157Ca -0.18 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 1t96 n THR 1157Cb 0.56 -1.83 -0.13 0.00 -1.82 0.00 0.00 70.33 67.11 1t96 n THR 1157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1t96 s PHE 1158N 2.30 1.40 0.00 -1.42 5.36 -0.94 -4.84 117.98 119.84 1t96 s PHE 1158Ca 0.83 -2.01 0.00 0.00 -0.96 0.00 0.00 56.93 54.79 1t96 s PHE 1158Cb -0.61 -1.45 0.00 0.00 -0.34 0.00 0.00 43.02 40.62 1t96 s PHE 1158CO 0.41 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.77 1t96 n GLY 1159N 3.88 -0.61 3.82 13.12 0.00 -1.26 -4.23 105.19 119.90 1t96 n GLY 1159Ca 0.09 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 1t96 n GLY 1159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t96 s TYR 1160N 0.00 3.73 -1.63 1.61 2.02 -1.26 -4.29 117.35 117.53 1t96 s TYR 1160Ca 0.00 1.21 -0.17 0.00 -0.37 0.00 0.00 57.07 57.75 1t96 s TYR 1160Cb 0.00 -2.46 0.13 0.00 -0.40 0.00 0.00 41.96 39.22 1t96 s TYR 1160CO 0.00 0.52 0.89 0.09 -1.57 0.00 0.00 175.55 175.48 1t96 n ASN 1161N 1.34 -4.08 -3.72 2.29 3.02 -1.26 -4.96 115.26 107.89 1t96 n ASN 1161Ca -0.08 -0.90 -0.14 0.00 -0.03 0.00 0.00 54.58 53.43 1t96 n ASN 1161Cb 0.51 -3.30 -0.08 0.00 -0.61 0.00 0.00 39.78 36.31 1t96 n ASN 1161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1t96 s ASN 1162N -3.29 -0.26 0.03 6.41 3.04 -1.26 -4.15 114.94 115.47 1t96 s ASN 1162Ca 0.72 0.13 0.04 0.00 0.04 0.00 0.00 52.86 53.79 1t96 s ASN 1162Cb -0.38 0.36 -0.02 0.00 -1.54 0.00 0.00 41.25 39.67 1t96 s ASN 1162CO 0.88 -0.51 -0.13 -0.76 -3.04 0.00 0.00 177.10 173.54 1t96 s LEU 1163N -1.46 2.15 0.14 3.21 1.43 -1.26 -2.21 118.68 120.68 1t96 s LEU 1163Ca -0.11 -0.42 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1t96 s LEU 1163Cb -0.04 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1t96 s LEU 1163CO 0.04 0.04 -0.24 0.54 0.23 0.00 0.00 176.35 176.96 1t96 s VAL 1164N -0.78 2.07 -0.27 -1.59 0.11 -0.35 -4.85 120.40 114.74 1t96 s VAL 1164Ca 0.01 -1.78 -0.08 0.00 -2.93 0.00 0.00 61.98 57.20 1t96 s VAL 1164Cb -0.07 -1.89 -0.02 0.00 -1.53 0.00 0.00 36.38 32.87 1t96 s VAL 1164CO 0.01 -0.05 0.10 -0.69 -3.33 0.00 0.00 175.10 171.14 1t96 s VAL 1165N -1.35 4.43 -0.68 2.04 1.01 -1.26 -0.71 120.40 123.87 1t96 s VAL 1165Ca 0.14 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1t96 s VAL 1165Cb -0.09 -3.13 0.17 0.00 0.00 0.00 0.00 36.38 33.34 1t96 s VAL 1165CO 0.06 0.26 0.62 -0.62 0.00 0.00 0.00 175.10 175.42 1t96 s ASP 1166N 1.62 6.40 0.01 3.32 -1.08 -1.26 -4.93 116.67 120.74 1t96 s ASP 1166Ca 0.06 -2.28 0.01 0.00 -0.52 0.00 0.00 52.55 49.81 1t96 s ASP 1166Cb -0.16 -2.18 0.04 0.00 -1.46 0.00 0.00 42.92 39.16 1t96 s ASP 1166CO 0.05 -0.69 1.02 0.49 0.52 0.00 0.00 175.17 176.56 1t96 n PHE 1167N 4.53 0.01 0.30 -5.34 3.01 -1.26 -0.95 117.46 117.76 1t96 n PHE 1167Ca 0.01 0.01 0.19 0.00 1.01 0.00 0.00 57.45 58.67 1t96 n PHE 1167Cb 0.43 -0.51 0.88 0.00 -0.01 0.00 0.00 39.48 40.27 1t96 n PHE 1167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1t96 h ARG 1168N 0.00 0.00 -0.02 -1.08 3.08 -2.03 -2.54 114.38 111.78 1t96 h ARG 1168Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1t96 h ARG 1168Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1t96 h ARG 1168CO 0.00 0.00 -0.18 0.66 -1.07 0.00 0.00 179.97 179.38 1t96 h SER 1169N 0.00 0.03 0.85 7.04 4.64 -1.48 -3.05 113.55 121.59 1t96 h SER 1169Ca -0.00 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1t96 h SER 1169Cb 0.33 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1t96 h SER 1169CO 0.00 0.22 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.61 1t96 h LEU 1170N 0.03 -1.23 -1.71 5.97 4.07 -1.67 -0.08 115.31 120.69 1t96 h LEU 1170Ca 0.01 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1t96 h LEU 1170Cb 0.34 0.35 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 1t96 h LEU 1170CO 0.02 -0.78 -0.18 1.55 -1.08 0.00 0.00 178.44 177.98 1t96 h PRO 1171N -1.25 0.00 0.20 1.13 0.13 -1.75 -2.11 132.00 128.36 1t96 h PRO 1171Ca -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1t96 h PRO 1171Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1t96 h PRO 1171CO 0.14 0.18 -0.10 0.82 -0.23 0.00 0.00 178.00 178.81 1t96 h ILE 1172N 0.00 0.88 0.00 -3.56 2.04 -1.39 -3.17 117.51 112.31 1t96 h ILE 1172Ca -0.00 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1t96 h ILE 1172Cb 0.40 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1t96 h ILE 1172CO 0.02 0.16 -0.10 0.24 0.00 0.00 0.00 178.15 178.48 1t96 h MET 1173N -0.68 0.00 0.00 2.37 2.86 -0.94 -2.52 114.93 116.01 1t96 h MET 1173Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1t96 h MET 1173Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1t96 h MET 1173CO 0.05 0.10 0.00 -0.22 1.06 0.00 0.00 176.91 177.89 1t96 h LYS 1174N 0.00 0.00 0.00 1.72 1.63 -1.35 -2.16 116.57 116.41 1t96 h LYS 1174Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1t96 h LYS 1174Cb 0.39 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1t96 h LYS 1174CO 0.01 0.00 -0.16 1.96 -3.45 0.00 0.00 179.45 177.81 1t96 h GLN 1175N 0.00 0.00 0.00 1.90 4.20 -1.52 -3.32 115.11 116.37 1t96 h GLN 1175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1t96 h GLN 1175Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1t96 h GLN 1175CO 0.00 0.16 0.00 -2.67 -0.67 0.00 0.00 178.83 175.65 1t96 n TRP 1176N -3.89 0.00 -3.64 2.96 2.14 -0.86 -5.11 117.44 109.04 1t96 n TRP 1176Ca -0.02 -0.10 -0.04 0.00 2.07 0.00 0.00 57.50 59.41 1t96 n TRP 1176Cb 0.26 -0.01 -0.01 0.00 -0.81 0.00 0.00 31.31 30.73 1t96 n TRP 1176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1t96 s ALA 1177N -0.19 -1.82 0.32 -1.67 0.00 -0.91 -4.99 121.76 112.49 1t96 s ALA 1177Ca 0.00 0.61 -0.27 0.00 0.00 0.00 0.00 51.96 52.30 1t96 s ALA 1177Cb 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 23.12 23.50 1t96 s ALA 1177CO 0.00 -0.89 1.03 0.15 0.00 0.00 0.00 175.76 176.05 1t96 s LYS 1178N -3.05 4.52 -0.10 0.00 1.02 -1.14 -4.08 119.74 116.90 1t96 s LYS 1178Ca 0.10 1.58 -0.00 0.00 0.02 0.00 0.00 55.97 57.66 1t96 s LYS 1178Cb -0.00 -2.93 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1t96 s LYS 1178CO -0.03 0.16 -0.09 0.08 -0.92 0.00 0.00 175.35 174.56 1t96 s VAL 1179N -1.40 3.48 0.00 3.17 1.01 -1.26 -0.89 120.40 124.51 1t96 s VAL 1179Ca 0.49 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1t96 s VAL 1179Cb -0.25 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1t96 s VAL 1179CO 0.32 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 175.16 1t96 s ILE 1180N -0.17 2.78 -0.21 2.22 -1.09 -0.36 -0.49 121.20 123.89 1t96 s ILE 1180Ca 0.01 -1.01 -0.05 0.00 -2.23 0.00 0.00 60.65 57.37 1t96 s ILE 1180Cb -0.13 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.61 1t96 s ILE 1180CO 0.03 0.46 0.00 -0.47 -1.23 0.00 0.00 174.94 173.73 1t96 s TYR 1181N -0.81 3.04 -0.66 3.97 5.04 -0.36 -0.86 117.35 126.71 1t96 s TYR 1181Ca 0.13 -0.48 -0.21 0.00 -2.44 0.00 0.00 57.07 54.07 1t96 s TYR 1181Cb -0.10 -2.10 0.08 0.00 0.35 0.00 0.00 41.96 40.19 1t96 s TYR 1181CO 0.03 -0.27 0.90 0.34 -1.34 0.00 0.00 175.55 175.21 1t96 s ASP 1182N 1.08 6.21 0.52 4.32 -1.08 -0.35 0.26 116.67 127.63 1t96 s ASP 1182Ca 0.02 -1.19 0.33 0.00 -0.52 0.00 0.00 52.55 51.19 1t96 s ASP 1182Cb -0.14 -2.38 1.35 0.00 -1.46 0.00 0.00 42.92 40.28 1t96 s ASP 1182CO 0.02 -1.33 1.96 0.00 0.52 0.00 0.00 175.17 176.34 1t96 h ALA 1183N 9.41 1.00 0.00 3.66 0.00 -1.33 -3.23 119.26 128.77 1t96 h ALA 1183Ca -0.26 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1t96 h ALA 1183Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1t96 h ALA 1183CO 1.15 0.00 -0.33 1.15 0.00 0.00 0.00 179.25 181.23 1t96 h THR 1184N 0.00 0.03 0.00 0.00 2.02 -1.89 -3.40 112.91 109.67 1t96 h THR 1184Ca 0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1t96 h THR 1184Cb 0.48 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1t96 h THR 1184CO 0.00 0.01 0.00 0.45 0.37 0.00 0.00 175.52 176.35 1t96 h HIS 1185N -1.00 0.00 0.00 3.16 3.86 -1.90 -3.14 115.15 116.13 1t96 h HIS 1185Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1t96 h HIS 1185Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1t96 h HIS 1185CO -0.13 0.00 0.00 0.77 0.86 0.00 0.00 177.93 179.43 1t96 h SER 1186N 0.00 0.00 -0.01 2.45 0.02 -1.66 -3.00 113.55 111.35 1t96 h SER 1186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t96 h SER 1186Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1t96 h SER 1186CO 0.00 0.00 -0.20 1.33 -1.14 0.00 0.00 176.83 176.82 1t96 n VAL 1187N -2.57 0.00 -2.37 2.27 0.24 -1.19 -4.75 118.33 109.97 1t96 n VAL 1187Ca 0.02 -0.40 -0.37 0.00 -2.04 0.00 0.00 64.34 61.56 1t96 n VAL 1187Cb 0.30 1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 33.86 1t96 n VAL 1187CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1t96 s GLN 1188N -1.57 3.91 -0.47 7.34 -0.21 -1.13 -2.10 119.66 125.43 1t96 s GLN 1188Ca 0.13 1.66 -0.16 0.00 0.02 0.00 0.00 55.36 57.02 1t96 s GLN 1188Cb 0.12 -2.45 0.07 0.00 1.00 0.00 0.00 33.01 31.75 1t96 s GLN 1188CO 0.30 -0.39 0.41 -0.51 -2.12 0.00 0.00 175.29 172.97 1t96 s LEU 1189N -2.90 5.54 0.19 2.90 1.43 -1.26 -4.41 118.68 120.17 1t96 s LEU 1189Ca 0.61 -1.26 -0.33 0.00 -1.03 0.00 0.00 54.13 52.13 1t96 s LEU 1189Cb -0.26 -2.20 -0.14 0.00 0.03 0.00 0.00 46.19 43.62 1t96 s LEU 1189CO 0.31 -0.65 1.36 -2.65 0.23 0.00 0.00 176.35 174.95 1t96 n PRO 1190N 5.27 1.72 -1.61 1.29 -0.02 -1.26 -4.59 135.00 135.80 1t96 n PRO 1190Ca -0.12 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 61.77 1t96 n PRO 1190Cb 0.44 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.59 1t96 n PRO 1190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t96 n GLY 1191N 2.34 1.96 3.45 -1.23 0.00 -1.26 -4.27 105.19 106.19 1t96 n GLY 1191Ca 0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1t96 n GLY 1191CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t96 s GLY 1199N -2.78 1.38 -0.32 -0.02 0.00 -1.26 -5.01 107.32 99.31 1t96 s GLY 1199Ca 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.27 1t96 s GLY 1199CO 0.00 -1.03 0.02 1.06 0.00 0.00 0.00 173.10 173.15 1t96 s MET 1200N -3.41 1.86 0.56 2.90 -1.94 -0.89 -4.84 119.30 113.53 1t96 s MET 1200Ca 0.31 -1.65 0.25 0.00 -1.71 0.00 0.00 55.69 52.88 1t96 s MET 1200Cb 0.01 -3.16 1.52 0.00 2.01 0.00 0.00 34.83 35.21 1t96 s MET 1200CO 0.18 -0.81 2.11 -0.09 -0.01 0.00 0.00 175.02 176.39 1t96 h ARG 1201N 7.75 0.00 0.00 2.03 2.43 -1.90 -1.82 114.38 122.87 1t96 h ARG 1201Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1t96 h ARG 1201Cb 1.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1t96 h ARG 1201CO 0.53 0.00 0.00 -0.85 -1.51 0.00 0.00 179.97 178.14 1t96 n GLU 1202N -4.13 0.16 0.00 0.20 0.28 -1.26 -2.18 120.64 113.71 1t96 n GLU 1202Ca 0.02 0.53 0.09 0.00 -0.16 0.00 0.00 57.16 57.63 1t96 n GLU 1202Cb 0.30 -1.90 0.01 0.00 1.43 0.00 0.00 31.44 31.27 1t96 n GLU 1202CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1t96 n PHE 1203N -2.22 0.00 0.21 -1.84 3.01 -0.68 -4.60 117.46 111.34 1t96 n PHE 1203Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.31 1t96 n PHE 1203Cb 0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.53 1t96 n PHE 1203CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1t96 h ILE 1204N 2.25 0.38 -0.15 4.37 2.04 -1.55 -2.49 117.51 122.36 1t96 h ILE 1204Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1t96 h ILE 1204Cb 0.64 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1t96 h ILE 1204CO 0.00 0.00 0.03 0.15 0.00 0.00 0.00 178.15 178.33 1t96 h PHE 1205N -0.65 0.25 -0.79 1.37 -0.00 -1.82 -1.96 116.94 113.34 1t96 h PHE 1205Ca -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 57.90 1t96 h PHE 1205Cb 0.58 -0.07 -0.04 0.00 -0.00 0.00 0.00 35.95 36.42 1t96 h PHE 1205CO -0.16 0.40 0.44 -1.00 -0.00 0.00 0.00 178.31 177.98 1t96 h PRO 1206N 0.03 1.10 0.00 6.41 0.13 -1.81 -1.32 132.00 136.54 1t96 h PRO 1206Ca 0.04 -0.12 -0.09 0.00 -0.87 0.00 0.00 66.00 64.96 1t96 h PRO 1206Cb 0.28 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.18 1t96 h PRO 1206CO 0.00 0.80 -0.44 -0.07 -0.23 0.00 0.00 178.00 178.07 1t96 h LEU 1207N 1.11 0.00 -0.57 1.56 3.38 -1.38 -2.07 115.31 117.34 1t96 h LEU 1207Ca 0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 1t96 h LEU 1207Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1t96 h LEU 1207CO -0.05 0.44 -0.46 -0.29 0.09 0.00 0.00 178.44 178.18 1t96 h ILE 1208N 0.00 1.30 -0.84 1.22 2.10 -0.81 -1.34 117.51 119.14 1t96 h ILE 1208Ca -0.00 -1.65 -0.02 0.00 1.08 0.00 0.00 64.86 64.26 1t96 h ILE 1208Cb 0.82 1.61 -0.04 0.00 -1.09 0.00 0.00 36.82 38.11 1t96 h ILE 1208CO 0.06 0.52 0.44 0.03 -1.08 0.00 0.00 178.15 178.12 1t96 h ARG 1209N 0.50 1.20 -0.41 2.19 3.08 -0.70 -2.29 114.38 117.94 1t96 h ARG 1209Ca 0.03 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1t96 h ARG 1209Cb 0.99 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1t96 h ARG 1209CO 0.09 0.90 0.27 0.00 -1.07 0.00 0.00 179.97 180.16 1t96 h ALA 1210N 1.23 0.53 -0.42 0.04 0.00 -0.90 -2.01 119.26 117.72 1t96 h ALA 1210Ca 0.29 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1t96 h ALA 1210Cb 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1t96 h ALA 1210CO -0.04 -0.03 0.11 0.00 0.00 0.00 0.00 179.25 179.29 1t96 h ALA 1211N 1.15 0.47 0.00 0.00 0.00 -0.70 -0.34 119.26 119.85 1t96 h ALA 1211Ca 0.15 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1t96 h ALA 1211Cb -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1t96 h ALA 1211CO -0.04 -0.29 -0.36 -0.39 0.00 0.00 0.00 179.25 178.17 1t96 h VAL 1212N 0.25 0.76 -0.32 0.00 -1.51 -1.35 0.65 116.25 114.73 1t96 h VAL 1212Ca 0.20 -1.59 -0.17 0.00 -1.23 0.00 0.00 66.70 63.91 1t96 h VAL 1212Cb 0.22 2.02 -0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1t96 h VAL 1212CO -0.24 0.35 -0.48 0.00 -1.23 0.00 0.00 177.57 175.97 1t96 h ALA 1213N 1.64 0.49 -0.17 5.19 0.00 -0.71 -3.10 119.26 122.60 1t96 h ALA 1213Ca -0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1t96 h ALA 1213Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1t96 h ALA 1213CO 0.05 0.66 -0.04 0.28 0.00 0.00 0.00 179.25 180.19 1t96 h VAL 1214N 0.69 1.29 0.00 0.00 2.07 -0.86 -3.48 116.25 115.97 1t96 h VAL 1214Ca 0.03 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1t96 h VAL 1214Cb 1.09 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1t96 h VAL 1214CO 0.11 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1t96 n GLY 1215N -0.12 3.29 3.50 2.17 0.00 0.20 -4.85 105.19 109.38 1t96 n GLY 1215Ca -0.05 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 1t96 n GLY 1215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t96 n ASP 1217N -0.33 1.88 0.00 0.00 8.00 0.36 -5.00 116.55 121.47 1t96 n ASP 1217Ca -0.04 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 53.88 1t96 n ASP 1217Cb 0.62 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1t96 n ASP 1217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t96 n GLY 1218N 1.25 0.86 3.22 0.44 0.00 -1.14 -2.12 105.19 107.70 1t96 n GLY 1218Ca 0.17 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 1t96 n GLY 1218CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1t96 s VAL 1219N -2.00 1.36 -0.11 1.61 -7.23 -0.29 -1.22 120.40 112.52 1t96 s VAL 1219Ca 0.00 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 1t96 s VAL 1219Cb 0.00 -1.30 -0.00 0.00 0.56 0.00 0.00 36.38 35.64 1t96 s VAL 1219CO 0.00 -0.19 -0.22 0.12 -0.31 0.00 0.00 175.10 174.50 1t96 s PHE 1220N -1.33 2.61 -0.07 2.82 2.19 0.14 -0.67 117.98 123.67 1t96 s PHE 1220Ca 0.02 -1.02 -0.03 0.00 0.33 0.00 0.00 56.93 56.24 1t96 s PHE 1220Cb -0.09 -1.74 0.04 0.00 -1.31 0.00 0.00 43.02 39.92 1t96 s PHE 1220CO 0.03 -0.41 0.15 -1.64 1.83 0.00 0.00 175.22 175.18 1t96 s MET 1221N 0.39 0.08 -0.05 10.12 -1.94 0.76 -0.91 119.30 127.76 1t96 s MET 1221Ca -0.17 0.43 -0.24 0.00 -1.71 0.00 0.00 55.69 54.01 1t96 s MET 1221Cb -0.17 -0.21 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 1t96 s MET 1221CO 0.07 -0.21 0.71 -1.21 -0.01 0.00 0.00 175.02 174.38 1t96 s GLU 1222N 1.50 4.44 0.04 2.03 2.02 -1.26 -2.70 118.70 124.77 1t96 s GLU 1222Ca -0.06 0.91 0.03 0.00 0.02 0.00 0.00 54.97 55.87 1t96 s GLU 1222Cb -0.12 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 1t96 s GLU 1222CO -0.06 0.11 -0.09 -0.08 0.02 0.00 0.00 175.26 175.17 1t96 s THR 1223N 0.62 0.63 -0.08 3.63 -1.32 0.69 -0.75 115.64 119.06 1t96 s THR 1223Ca 0.38 -1.08 -0.13 0.00 -1.21 0.00 0.00 61.69 59.64 1t96 s THR 1223Cb -0.18 -0.68 0.03 0.00 -1.51 0.00 0.00 72.50 70.16 1t96 s THR 1223CO 0.19 -0.33 0.33 -2.28 -2.21 0.00 0.00 174.62 170.31 1t96 s HIS 1224N -1.31 -0.30 0.27 9.09 5.04 -0.41 -2.53 115.29 125.15 1t96 s HIS 1224Ca -0.08 0.66 0.01 0.00 -1.54 0.00 0.00 55.06 54.10 1t96 s HIS 1224Cb -0.10 0.11 0.61 0.00 0.04 0.00 0.00 32.58 33.25 1t96 s HIS 1224CO 0.01 -0.26 1.73 -1.35 -2.34 0.00 0.00 174.74 172.52 1t96 h PRO 1225N 4.92 0.48 -2.47 2.88 0.11 -1.94 -2.11 132.00 133.87 1t96 h PRO 1225Ca -0.28 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.22 1t96 h PRO 1225Cb 1.18 -0.11 -0.38 0.00 0.11 0.00 0.00 31.00 31.80 1t96 h PRO 1225CO 0.33 0.32 -0.92 -1.21 -0.21 0.00 0.00 178.00 176.31 1t96 s GLU 1226N -5.94 0.77 0.27 1.05 2.02 -1.26 -4.42 118.70 111.19 1t96 s GLU 1226Ca -0.12 -1.79 -0.03 0.00 0.02 0.00 0.00 54.97 53.06 1t96 s GLU 1226Cb 0.23 -1.39 0.58 0.00 0.10 0.00 0.00 34.13 33.65 1t96 s GLU 1226CO 0.78 -1.31 1.61 -1.35 0.02 0.00 0.00 175.26 175.01 1t96 h PRO 1227N 6.23 0.07 0.00 0.39 0.11 -1.85 0.15 132.00 137.10 1t96 h PRO 1227Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1t96 h PRO 1227Cb 0.93 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1t96 h PRO 1227CO 0.33 0.05 0.07 -0.85 -0.21 0.00 0.00 178.00 177.38 1t96 n GLU 1228N -5.40 0.06 -0.01 1.05 -0.00 -1.26 -0.87 120.64 114.21 1t96 n GLU 1228Ca 0.18 0.53 0.06 0.00 -0.00 0.00 0.00 57.16 57.92 1t96 n GLU 1228Cb 0.60 -1.76 0.06 0.00 -0.00 0.00 0.00 31.44 30.34 1t96 n GLU 1228CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1t96 n LYS 1229N -1.80 0.76 -1.40 3.44 5.02 0.51 -5.02 118.16 119.67 1t96 n LYS 1229Ca -0.01 -1.25 -0.33 0.00 -2.02 0.00 0.00 58.31 54.70 1t96 n LYS 1229Cb 0.08 -1.22 0.09 0.00 -0.02 0.00 0.00 35.03 33.96 1t96 n LYS 1229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t96 s ALA 1230N -0.96 2.14 -2.17 7.82 0.00 -0.05 -4.93 121.76 123.60 1t96 s ALA 1230Ca 0.14 0.70 0.26 0.00 0.00 0.00 0.00 51.96 53.07 1t96 s ALA 1230Cb 0.10 -3.41 0.76 0.00 0.00 0.00 0.00 23.12 20.57 1t96 s ALA 1230CO 0.14 -1.83 1.57 1.28 0.00 0.00 0.00 175.76 176.92 1t96 n LEU 1231N -2.92 1.45 -3.68 0.00 4.77 -1.26 -4.63 117.00 110.74 1t96 n LEU 1231Ca 0.12 -0.46 -0.14 0.00 -0.03 0.00 0.00 56.01 55.50 1t96 n LEU 1231Cb 0.51 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1t96 n LEU 1231CO 0.48 0.26 0.24 -0.94 -1.33 0.00 0.00 177.39 176.10 1t96 s SER 1232N -2.27 -0.55 -1.61 -1.43 1.04 -1.26 -4.49 113.70 103.13 1t96 s SER 1232Ca 0.29 0.98 -0.15 0.00 0.48 0.00 0.00 55.95 57.56 1t96 s SER 1232Cb 0.20 1.00 0.11 0.00 0.10 0.00 0.00 66.02 67.43 1t96 s SER 1232CO 0.44 -0.26 0.82 0.47 0.98 0.00 0.00 173.24 175.69 1t96 n ASP 1233N 2.46 -3.48 0.28 7.02 8.00 -1.26 -4.84 116.55 124.73 1t96 n ASP 1233Ca -0.15 -0.93 0.12 0.00 0.71 0.00 0.00 54.79 54.55 1t96 n ASP 1233Cb 0.56 -3.21 0.79 0.00 -0.02 0.00 0.00 41.12 39.24 1t96 n ASP 1233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t96 h ALA 1234N 0.93 1.64 0.00 2.24 0.00 -1.82 -1.72 119.26 120.52 1t96 h ALA 1234Ca -0.59 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.11 1t96 h ALA 1234Cb 1.38 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1t96 h ALA 1234CO 0.72 0.04 -0.84 0.77 0.00 0.00 0.00 179.25 179.94 1t96 h SER 1235N 0.00 0.13 -0.02 0.00 0.02 -1.89 -3.37 113.55 108.43 1t96 h SER 1235Ca -0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1t96 h SER 1235Cb 0.07 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1t96 h SER 1235CO 0.00 0.91 0.00 0.35 -1.14 0.00 0.00 176.83 176.95 1t96 n THR 1236N -3.63 0.02 -2.58 -2.27 -2.24 -0.99 -4.24 114.28 98.35 1t96 n THR 1236Ca -0.02 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.84 1t96 n THR 1236Cb 0.79 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 70.15 1t96 n THR 1236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1t96 s GLN 1237N -0.78 4.65 0.09 -0.78 -0.21 -0.68 -4.85 119.66 117.10 1t96 s GLN 1237Ca 0.11 1.65 -0.30 0.00 0.02 0.00 0.00 55.36 56.84 1t96 s GLN 1237Cb 0.08 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.75 1t96 s GLN 1237CO 0.12 0.17 0.95 -1.17 -2.12 0.00 0.00 175.29 173.25 1t96 s LEU 1238N -0.54 4.48 0.29 2.90 2.96 0.07 -4.74 118.68 124.10 1t96 s LEU 1238Ca 0.47 1.76 -0.30 0.00 -0.22 0.00 0.00 54.13 55.84 1t96 s LEU 1238Cb -0.28 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.72 1t96 s LEU 1238CO 0.34 -0.08 1.52 -2.65 -1.32 0.00 0.00 176.35 174.16 1t96 n PRO 1239N 2.92 2.49 -0.24 0.98 -0.02 -1.26 -1.28 135.00 138.59 1t96 n PRO 1239Ca 0.02 0.88 0.12 0.00 -2.02 0.00 0.00 63.50 62.51 1t96 n PRO 1239Cb 0.49 -2.62 0.40 0.00 -0.02 0.00 0.00 33.50 31.76 1t96 n PRO 1239CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1t96 h LEU 1240N 4.30 0.59 -0.67 2.45 5.85 -1.59 -1.01 115.31 125.24 1t96 h LEU 1240Ca -0.47 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1t96 h LEU 1240Cb 1.24 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1t96 h LEU 1240CO 0.76 0.31 0.00 -1.54 -0.34 0.00 0.00 178.44 177.63 1t96 n SER 1241N -4.53 0.45 0.02 1.25 3.41 -1.26 -2.22 113.62 110.73 1t96 n SER 1241Ca 0.16 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.52 1t96 n SER 1241Cb 0.46 -0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 63.67 1t96 n SER 1241CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t96 n GLN 1242N -2.03 0.28 -0.07 4.33 6.02 -0.39 -4.50 117.38 121.03 1t96 n GLN 1242Ca 0.01 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 56.90 1t96 n GLN 1242Cb 0.15 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 1t96 n GLN 1242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1t96 h LEU 1243N 0.00 -0.98 -0.53 1.08 5.85 -1.48 -1.74 115.31 117.51 1t96 h LEU 1243Ca 0.00 0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.98 1t96 h LEU 1243Cb 0.72 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 1t96 h LEU 1243CO 0.00 -0.32 0.12 -0.08 -0.34 0.00 0.00 178.44 177.82 1t96 h GLU 1244N -0.28 0.26 -0.70 1.25 4.81 -1.79 -0.83 114.58 117.29 1t96 h GLU 1244Ca 0.15 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1t96 h GLU 1244Cb 0.52 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1t96 h GLU 1244CO -0.46 0.17 0.46 0.78 -0.73 0.00 0.00 179.01 179.23 1t96 h GLY 1245N 0.26 0.99 0.89 1.92 0.00 -1.70 -1.22 103.07 104.22 1t96 h GLY 1245Ca 0.27 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1t96 h GLY 1245CO -0.33 0.37 0.08 -2.22 0.00 0.00 0.00 176.54 174.44 1t96 h ILE 1246N 0.96 1.17 -0.24 2.60 1.08 -0.53 -1.97 117.51 120.58 1t96 h ILE 1246Ca 0.26 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1t96 h ILE 1246Cb -0.10 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1t96 h ILE 1246CO -0.05 0.17 0.15 0.40 -0.69 0.00 0.00 178.15 178.13 1t96 h ILE 1247N 0.20 1.08 -0.69 -0.67 2.04 -1.00 -0.58 117.51 117.88 1t96 h ILE 1247Ca 0.07 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1t96 h ILE 1247Cb 0.19 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1t96 h ILE 1247CO -0.01 0.07 0.45 -0.08 0.00 0.00 0.00 178.15 178.59 1t96 h GLU 1248N 0.32 0.89 -0.50 2.37 4.57 -1.18 -0.97 114.58 120.08 1t96 h GLU 1248Ca 0.09 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1t96 h GLU 1248Cb -0.01 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 1t96 h GLU 1248CO -0.02 0.59 0.26 0.00 -1.18 0.00 0.00 179.01 178.66 1t96 h ALA 1249N 1.27 0.65 -0.01 2.92 0.00 -0.92 -1.68 119.26 121.48 1t96 h ALA 1249Ca 0.26 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1t96 h ALA 1249Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1t96 h ALA 1249CO -0.07 0.18 -0.61 -0.84 0.00 0.00 0.00 179.25 177.91 1t96 h ILE 1250N 0.67 1.43 -0.47 0.00 3.07 -0.75 -1.67 117.51 119.79 1t96 h ILE 1250Ca 0.18 -2.09 -0.09 0.00 1.55 0.00 0.00 64.86 64.41 1t96 h ILE 1250Cb 0.08 2.12 -0.02 0.00 -0.27 0.00 0.00 36.82 38.73 1t96 h ILE 1250CO -0.03 0.60 -0.06 -0.07 -1.05 0.00 0.00 178.15 177.54 1t96 h LEU 1251N 0.02 0.80 -0.21 0.16 3.38 -0.90 0.30 115.31 118.87 1t96 h LEU 1251Ca -0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1t96 h LEU 1251Cb 1.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1t96 h LEU 1251CO 0.08 0.90 -0.05 -0.33 0.09 0.00 0.00 178.44 179.14 1t96 h GLU 1252N 0.75 0.39 -0.64 1.13 5.08 -0.98 -1.38 114.58 118.93 1t96 h GLU 1252Ca 0.13 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1t96 h GLU 1252Cb 0.54 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1t96 h GLU 1252CO 0.03 0.64 0.15 0.82 -1.00 0.00 0.00 179.01 179.65 1t96 h ILE 1253N 0.12 1.25 -0.30 3.13 2.04 -1.22 -2.32 117.51 120.21 1t96 h ILE 1253Ca 0.05 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 1t96 h ILE 1253Cb 0.50 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1t96 h ILE 1253CO 0.02 0.35 0.18 -0.09 0.00 0.00 0.00 178.15 178.61 1t96 h ARG 1254N 0.96 0.41 -0.08 2.37 2.43 -0.84 -1.28 114.38 118.35 1t96 h ARG 1254Ca 0.20 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1t96 h ARG 1254Cb 0.35 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1t96 h ARG 1254CO 0.00 0.33 0.01 1.49 -1.51 0.00 0.00 179.97 180.28 1t96 h GLU 1255N 0.38 0.04 -0.00 0.20 4.57 -0.91 0.12 114.58 118.97 1t96 h GLU 1255Ca 0.11 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.19 1t96 h GLU 1255Cb 0.03 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1t96 h GLU 1255CO -0.02 0.02 -0.43 -0.24 -1.18 0.00 0.00 179.01 177.16 1t96 h VAL 1256N 0.04 1.31 0.00 0.32 3.04 -1.34 -3.12 116.25 116.50 1t96 h VAL 1256Ca 0.03 -1.48 -0.17 0.00 -1.01 0.00 0.00 66.70 64.07 1t96 h VAL 1256Cb 0.04 1.80 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 1t96 h VAL 1256CO -0.05 0.42 -1.02 0.00 -1.01 0.00 0.00 177.57 175.91 1t96 h ALA 1257N 1.56 0.61 -1.03 3.17 0.00 -1.00 -3.40 119.26 119.18 1t96 h ALA 1257Ca -0.00 -0.79 0.28 0.00 0.00 0.00 0.00 54.91 54.39 1t96 h ALA 1257Cb 0.77 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 1t96 h ALA 1257CO 0.06 0.97 0.62 0.66 0.00 0.00 0.00 179.25 181.55 1t96 h SER 1258N 0.00 0.57 0.35 0.00 4.64 -0.70 0.12 113.55 118.53 1t96 h SER 1258Ca -0.09 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1t96 h SER 1258Cb 1.61 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1t96 h SER 1258CO 0.08 0.03 0.00 0.07 -0.87 0.00 0.00 176.83 176.14 1t96 h LYS 1259N 0.46 0.00 -0.02 4.77 2.10 -1.77 -2.33 116.57 119.78 1t96 h LYS 1259Ca 0.67 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.32 1t96 h LYS 1259Cb 1.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.78 1t96 h LYS 1259CO -0.47 0.00 -0.21 0.66 -2.00 0.00 0.00 179.45 177.43 1t96 n TYR 1260N -2.61 0.00 -1.77 0.07 4.02 0.40 -4.95 117.16 112.33 1t96 n TYR 1260Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 1t96 n TYR 1260Cb 0.14 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 1t96 n TYR 1260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1t96 s TYR 1261N -2.22 2.48 0.50 -0.72 4.12 -0.88 -4.96 117.35 115.68 1t96 s TYR 1261Ca 0.24 0.19 -0.20 0.00 0.02 0.00 0.00 57.07 57.32 1t96 s TYR 1261Cb 0.19 -4.11 -0.08 0.00 -1.52 0.00 0.00 41.96 36.44 1t96 s TYR 1261CO 0.42 -4.44 1.05 -1.21 0.02 0.00 0.00 175.55 171.39 1t96 s GLU 1262N 2.15 3.71 -0.14 -0.62 8.01 -1.26 -5.03 118.70 125.52 1t96 s GLU 1262Ca 0.77 1.36 -0.20 0.00 0.01 0.00 0.00 54.97 56.91 1t96 s GLU 1262Cb -0.46 -2.08 -0.03 0.00 -4.31 0.00 0.00 34.13 27.24 1t96 s GLU 1262CO 0.34 -0.50 0.56 0.99 0.01 0.00 0.00 175.26 176.66 1t96 s THR 1263N -2.02 5.11 -2.00 3.63 2.01 -1.26 -5.15 115.64 115.95 1t96 s THR 1263Ca 0.67 1.10 0.25 0.00 0.31 0.00 0.00 61.69 64.02 1t96 s THR 1263Cb -0.17 -3.89 0.70 0.00 0.01 0.00 0.00 72.50 69.15 1t96 s THR 1263CO 0.22 0.23 1.83 2.30 -0.69 0.00 0.00 174.62 178.51