#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pe1 n GLU 1002N 0.00 0.72 -2.03 0.03 0.28 -1.26 -4.90 120.64 113.47 1pe1 n GLU 1002Ca 0.00 0.30 -0.42 0.00 -0.16 0.00 0.00 57.16 56.88 1pe1 n GLU 1002Cb 0.00 -2.39 -0.03 0.00 1.43 0.00 0.00 31.44 30.45 1pe1 n GLU 1002CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1pe1 s LYS 1003N -3.46 4.24 0.31 3.44 2.20 -1.26 -4.96 119.74 120.25 1pe1 s LYS 1003Ca 0.77 2.22 -0.28 0.00 -0.36 0.00 0.00 55.97 58.33 1pe1 s LYS 1003Cb -0.35 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.48 1pe1 s LYS 1003CO 0.46 -0.61 1.06 0.12 -0.36 0.00 0.00 175.35 176.02 1pe1 s PHE 1004N 1.84 3.56 -0.14 4.03 2.19 -1.14 -4.72 117.98 123.61 1pe1 s PHE 1004Ca 0.69 1.72 -0.12 0.00 0.33 0.00 0.00 56.93 59.55 1pe1 s PHE 1004Cb -0.39 -3.19 -0.05 0.00 -1.31 0.00 0.00 43.02 38.09 1pe1 s PHE 1004CO 0.31 -0.40 0.25 -1.17 1.83 0.00 0.00 175.22 176.03 1pe1 s LEU 1005N -1.74 4.30 -0.23 6.12 2.96 -0.85 0.78 118.68 130.02 1pe1 s LEU 1005Ca 0.48 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 1pe1 s LEU 1005Cb -0.28 -2.29 0.05 0.00 0.50 0.00 0.00 46.19 44.17 1pe1 s LEU 1005CO 0.36 0.21 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.81 1pe1 s VAL 1006N -0.10 1.82 -0.24 1.68 1.01 -0.57 -0.33 120.40 123.68 1pe1 s VAL 1006Ca 0.16 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 1pe1 s VAL 1006Cb -0.13 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1pe1 s VAL 1006CO 0.04 0.04 0.22 -0.63 0.00 0.00 0.00 175.10 174.78 1pe1 s ILE 1007N 1.28 5.31 0.07 2.22 1.01 0.52 -1.09 121.20 130.52 1pe1 s ILE 1007Ca -0.05 0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.72 1pe1 s ILE 1007Cb -0.18 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.77 1pe1 s ILE 1007CO -0.07 0.31 0.46 0.00 0.00 0.00 0.00 174.94 175.64 1pe1 s ALA 1008N 1.21 -1.15 0.00 9.38 0.00 -0.37 -0.26 121.76 130.58 1pe1 s ALA 1008Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1pe1 s ALA 1008Cb -0.14 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1pe1 s ALA 1008CO 0.06 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.70 1pe1 n GLY 1009N 0.28 0.14 3.77 0.00 0.00 -1.14 -1.45 105.19 106.78 1pe1 n GLY 1009Ca -0.18 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1pe1 n GLY 1009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pe1 s PRO 1010N -1.87 4.40 0.19 1.61 0.04 -1.05 -1.15 135.00 137.16 1pe1 s PRO 1010Ca 0.00 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 1pe1 s PRO 1010Cb 0.00 -3.02 0.14 0.00 0.04 0.00 0.00 34.50 31.66 1pe1 s PRO 1010CO 0.00 -0.06 1.61 0.00 0.04 0.00 0.00 177.00 178.59 1pe1 s ALA 1012N -6.12 1.88 -1.28 0.00 0.00 -1.26 -1.30 121.76 113.68 1pe1 s ALA 1012Ca -0.14 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 1pe1 s ALA 1012Cb 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1pe1 s ALA 1012CO 0.71 0.31 1.80 -0.89 0.00 0.00 0.00 175.76 177.69 1pe1 n ILE 1013N 0.80 3.54 0.09 0.00 5.41 -0.79 -4.72 119.36 123.68 1pe1 n ILE 1013Ca -0.17 -3.65 0.01 0.00 1.00 0.00 0.00 62.75 59.93 1pe1 n ILE 1013Cb 0.55 -2.33 0.32 0.00 -0.71 0.00 0.00 39.64 37.47 1pe1 n ILE 1013CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1pe1 h GLU 1014N 7.89 0.30 -1.84 0.38 5.08 -1.95 -3.41 114.58 121.03 1pe1 h GLU 1014Ca 0.41 -0.09 0.18 0.00 -1.00 0.00 0.00 59.36 58.87 1pe1 h GLU 1014Cb 0.87 -0.03 -0.17 0.00 0.50 0.00 0.00 28.75 29.91 1pe1 h GLU 1014CO 1.44 0.48 0.66 -1.54 -1.00 0.00 0.00 179.01 179.06 1pe1 s SER 1015N -6.85 -0.25 0.45 1.42 1.04 -1.26 -4.99 113.70 103.27 1pe1 s SER 1015Ca -0.06 0.01 0.22 0.00 0.48 0.00 0.00 55.95 56.61 1pe1 s SER 1015Cb 0.15 0.26 1.09 0.00 0.10 0.00 0.00 66.02 67.61 1pe1 s SER 1015CO 0.75 -0.41 1.93 -0.08 0.98 0.00 0.00 173.24 176.41 1pe1 h GLU 1016N 2.02 0.00 -0.05 4.02 4.81 -1.96 -2.97 114.58 120.45 1pe1 h GLU 1016Ca -0.15 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1pe1 h GLU 1016Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1pe1 h GLU 1016CO 0.27 0.23 -0.01 1.49 -0.73 0.00 0.00 179.01 180.25 1pe1 h GLU 1017N 0.00 0.10 -0.87 1.92 4.81 -1.99 -1.72 114.58 116.82 1pe1 h GLU 1017Ca -0.00 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1pe1 h GLU 1017Cb 0.54 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 1pe1 h GLU 1017CO 0.03 0.44 0.50 1.25 -0.73 0.00 0.00 179.01 180.50 1pe1 h LEU 1018N -0.25 0.70 -0.50 1.64 5.85 -1.93 -1.33 115.31 119.50 1pe1 h LEU 1018Ca 0.01 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1pe1 h LEU 1018Cb 0.40 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1pe1 h LEU 1018CO 0.01 0.37 0.31 -0.07 -0.34 0.00 0.00 178.44 178.72 1pe1 h LEU 1019N 0.80 0.53 -1.12 2.25 4.07 -1.35 -2.26 115.31 118.22 1pe1 h LEU 1019Ca 0.44 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.32 1pe1 h LEU 1019Cb 0.47 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 1pe1 h LEU 1019CO -0.28 0.38 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.25 1pe1 h LEU 1020N 0.64 0.44 -0.54 1.67 3.38 -0.40 0.71 115.31 121.21 1pe1 h LEU 1020Ca 0.19 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1pe1 h LEU 1020Cb -0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1pe1 h LEU 1020CO -0.06 0.61 -0.29 0.50 0.09 0.00 0.00 178.44 179.29 1pe1 h LYS 1021N 0.42 0.87 0.05 1.13 3.64 -0.90 -0.52 116.57 121.26 1pe1 h LYS 1021Ca 0.08 -0.40 -0.27 0.00 -1.27 0.00 0.00 60.65 58.79 1pe1 h LYS 1021Cb 0.49 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1pe1 h LYS 1021CO 0.03 1.04 -1.09 0.28 -2.27 0.00 0.00 179.45 177.44 1pe1 h VAL 1022N 0.74 1.33 -0.86 2.00 2.07 -1.26 -3.18 116.25 117.08 1pe1 h VAL 1022Ca 0.08 -2.42 0.04 0.00 0.82 0.00 0.00 66.70 65.23 1pe1 h VAL 1022Cb 0.84 2.52 -0.05 0.00 -1.52 0.00 0.00 31.29 33.08 1pe1 h VAL 1022CO 0.07 0.73 0.55 1.23 0.02 0.00 0.00 177.57 180.18 1pe1 h GLY 1023N 0.67 1.27 0.62 2.17 0.00 -0.79 0.19 103.07 107.20 1pe1 h GLY 1023Ca -0.13 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 46.84 1pe1 h GLY 1023CO 0.20 0.33 0.15 -2.09 0.00 0.00 0.00 176.54 175.14 1pe1 h GLU 1024N 1.05 0.31 -0.39 4.80 4.81 -1.07 0.17 114.58 124.26 1pe1 h GLU 1024Ca 0.35 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1pe1 h GLU 1024Cb 0.05 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1pe1 h GLU 1024CO -0.13 0.20 -0.04 1.49 -0.73 0.00 0.00 179.01 179.80 1pe1 h GLU 1025N 0.32 0.71 -0.72 1.92 4.57 -1.33 -1.78 114.58 118.27 1pe1 h GLU 1025Ca 0.20 -0.25 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1pe1 h GLU 1025Cb 0.19 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1pe1 h GLU 1025CO -0.20 0.83 0.25 0.82 -1.18 0.00 0.00 179.01 179.53 1pe1 h ILE 1026N 0.53 1.25 -0.55 2.32 2.04 -0.26 -1.33 117.51 121.51 1pe1 h ILE 1026Ca 0.10 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1pe1 h ILE 1026Cb 0.54 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1pe1 h ILE 1026CO 0.03 0.33 0.37 0.50 0.00 0.00 0.00 178.15 179.38 1pe1 h LYS 1027N 1.05 0.72 -0.83 2.37 1.63 -0.46 0.07 116.57 121.13 1pe1 h LYS 1027Ca 0.24 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.03 1pe1 h LYS 1027Cb 0.26 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 1pe1 h LYS 1027CO -0.01 0.48 0.53 -0.09 -3.45 0.00 0.00 179.45 176.91 1pe1 h ARG 1028N 0.75 0.99 -0.05 1.90 2.43 -0.79 -1.93 114.38 117.68 1pe1 h ARG 1028Ca 0.20 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 1pe1 h ARG 1028Cb -0.08 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 1pe1 h ARG 1028CO -0.05 0.66 -0.58 -0.07 -1.51 0.00 0.00 179.97 178.42 1pe1 h LEU 1029N 1.02 0.18 -1.51 3.80 3.38 -0.73 -2.67 115.31 118.79 1pe1 h LEU 1029Ca 0.33 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1pe1 h LEU 1029Cb 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1pe1 h LEU 1029CO -0.12 0.72 -0.24 0.77 0.09 0.00 0.00 178.44 179.67 1pe1 h SER 1030N 0.12 0.00 0.74 -0.43 4.64 -0.23 0.47 113.55 118.87 1pe1 h SER 1030Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1pe1 h SER 1030Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1pe1 h SER 1030CO 0.09 0.24 -0.87 -0.33 -0.87 0.00 0.00 176.83 175.09 1pe1 h GLU 1031N 0.00 0.08 0.03 4.77 4.39 -1.12 -3.33 114.58 119.40 1pe1 h GLU 1031Ca -0.00 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1pe1 h GLU 1031Cb 0.53 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1pe1 h GLU 1031CO 0.03 0.89 -0.01 -0.22 -1.16 0.00 0.00 179.01 178.54 1pe1 h LYS 1032N 0.04 -0.04 -4.36 2.33 3.64 -1.12 -3.39 116.57 113.68 1pe1 h LYS 1032Ca -0.03 0.00 -0.76 0.00 -1.27 0.00 0.00 60.65 58.60 1pe1 h LYS 1032Cb 1.51 0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 33.13 1pe1 h LYS 1032CO 0.12 0.50 1.13 1.19 -2.27 0.00 0.00 179.45 180.12 1pe1 n PHE 1033N -4.73 4.96 0.45 1.91 3.01 0.16 -4.80 117.46 118.42 1pe1 n PHE 1033Ca -0.06 -3.48 0.11 0.00 1.01 0.00 0.00 57.45 55.02 1pe1 n PHE 1033Cb 0.27 -2.04 0.44 0.00 -0.01 0.00 0.00 39.48 38.14 1pe1 n PHE 1033CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1pe1 n LYS 1034N 4.71 0.15 -0.06 -1.08 5.02 -1.25 -2.20 118.16 123.44 1pe1 n LYS 1034Ca 0.33 0.36 0.10 0.00 -2.02 0.00 0.00 58.31 57.08 1pe1 n LYS 1034Cb 0.41 -1.77 0.40 0.00 -0.02 0.00 0.00 35.03 34.06 1pe1 n LYS 1034CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1pe1 n GLU 1035N -2.04 1.54 -4.83 1.97 0.00 -1.26 -4.83 120.64 111.19 1pe1 n GLU 1035Ca 0.03 -0.81 -0.33 0.00 0.00 0.00 0.00 57.16 56.05 1pe1 n GLU 1035Cb 0.23 -1.36 -0.13 0.00 0.00 0.00 0.00 31.44 30.18 1pe1 n GLU 1035CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1pe1 s VAL 1036N -1.84 3.19 -0.38 3.84 1.01 -0.93 -2.88 120.40 122.41 1pe1 s VAL 1036Ca 0.30 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1pe1 s VAL 1036Cb 0.16 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1pe1 s VAL 1036CO 0.24 0.59 0.45 -0.70 0.00 0.00 0.00 175.10 175.68 1pe1 s GLU 1037N -0.63 3.41 0.04 2.72 2.12 0.23 -4.93 118.70 121.66 1pe1 s GLU 1037Ca 0.09 -0.44 -0.16 0.00 0.36 0.00 0.00 54.97 54.82 1pe1 s GLU 1037Cb -0.11 -3.87 -0.06 0.00 0.26 0.00 0.00 34.13 30.35 1pe1 s GLU 1037CO 0.01 -0.70 0.48 -0.06 -0.54 0.00 0.00 175.26 174.45 1pe1 s PHE 1038N 2.23 3.75 -0.07 5.30 0.40 -1.26 -1.51 117.98 126.82 1pe1 s PHE 1038Ca 0.15 1.10 0.01 0.00 -0.60 0.00 0.00 56.93 57.58 1pe1 s PHE 1038Cb -0.16 -2.37 0.02 0.00 0.51 0.00 0.00 43.02 41.02 1pe1 s PHE 1038CO 0.13 0.61 -0.06 0.08 0.70 0.00 0.00 175.22 176.68 1pe1 s VAL 1039N -1.12 0.79 -0.16 -0.44 1.01 -0.25 -4.12 120.40 116.11 1pe1 s VAL 1039Ca 0.27 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.82 1pe1 s VAL 1039Cb -0.18 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1pe1 s VAL 1039CO 0.16 0.30 0.66 0.12 0.00 0.00 0.00 175.10 176.34 1pe1 s PHE 1040N 1.26 3.44 -0.05 5.22 5.36 0.26 -1.23 117.98 132.24 1pe1 s PHE 1040Ca -0.05 1.04 0.06 0.00 -0.96 0.00 0.00 56.93 57.02 1pe1 s PHE 1040Cb -0.14 -2.80 -0.02 0.00 -0.34 0.00 0.00 43.02 39.72 1pe1 s PHE 1040CO -0.02 -0.09 -0.22 0.21 -1.46 0.00 0.00 175.22 173.64 1pe1 s LYS 1041N 1.56 2.47 -0.25 10.12 2.36 -0.53 -1.11 119.74 134.35 1pe1 s LYS 1041Ca 0.32 -0.85 -0.26 0.00 -2.55 0.00 0.00 55.97 52.63 1pe1 s LYS 1041Cb -0.16 -2.21 0.09 0.00 -1.05 0.00 0.00 37.83 34.50 1pe1 s LYS 1041CO 0.12 0.48 0.85 0.45 1.55 0.00 0.00 175.35 178.80 1pe1 s SER 1042N -0.39 -0.61 -0.05 1.43 0.15 -1.19 -3.29 113.70 109.76 1pe1 s SER 1042Ca 0.03 1.13 -0.20 0.00 0.70 0.00 0.00 55.95 57.61 1pe1 s SER 1042Cb -0.12 1.12 -0.05 0.00 -1.71 0.00 0.00 66.02 65.27 1pe1 s SER 1042CO 0.02 -0.24 0.58 -0.44 1.20 0.00 0.00 173.24 174.36 1pe1 s SER 1043N 0.15 6.90 0.04 5.45 0.01 -0.42 -4.63 113.70 121.20 1pe1 s SER 1043Ca 0.00 1.07 0.27 0.00 1.31 0.00 0.00 55.95 58.61 1pe1 s SER 1043Cb -0.04 -2.35 0.94 0.00 0.21 0.00 0.00 66.02 64.77 1pe1 s SER 1043CO -0.01 0.04 1.74 2.22 0.41 0.00 0.00 173.24 177.64 1pe1 n PHE 1044N 3.15 0.17 -3.66 2.43 1.16 -1.26 -1.89 117.46 117.56 1pe1 n PHE 1044Ca -0.06 0.05 -0.06 0.00 -1.87 0.00 0.00 57.45 55.50 1pe1 n PHE 1044Cb 0.51 -0.51 -0.08 0.00 -1.61 0.00 0.00 39.48 37.79 1pe1 n PHE 1044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1pe1 s ASP 1045N -3.30 -0.60 -1.00 5.98 2.15 -1.26 -3.88 116.67 114.76 1pe1 s ASP 1045Ca 0.12 1.19 -0.16 0.00 0.43 0.00 0.00 52.55 54.14 1pe1 s ASP 1045Cb 0.17 1.55 0.17 0.00 -0.30 0.00 0.00 42.92 44.51 1pe1 s ASP 1045CO 0.59 -0.22 1.15 -0.54 -0.17 0.00 0.00 175.17 175.98 1pe1 s LYS 1046N 2.45 3.78 0.00 4.34 -0.14 0.18 -4.85 119.74 125.50 1pe1 s LYS 1046Ca -0.05 -2.21 0.30 0.00 -1.36 0.00 0.00 55.97 52.66 1pe1 s LYS 1046Cb -0.11 -4.85 1.54 0.00 -1.68 0.00 0.00 37.83 32.73 1pe1 s LYS 1046CO -0.15 -1.66 2.05 0.00 -0.76 0.00 0.00 175.35 174.84 1pe1 n ALA 1047N 5.61 2.58 -1.76 5.17 0.00 -1.26 -4.03 120.51 126.81 1pe1 n ALA 1047Ca 0.26 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1pe1 n ALA 1047Cb 0.46 -1.46 0.10 0.00 0.00 0.00 0.00 19.45 18.55 1pe1 n ALA 1047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pe1 n ASN 1048N -1.14 1.35 -4.59 0.00 2.04 -1.26 -5.09 115.26 106.57 1pe1 n ASN 1048Ca 0.16 -2.85 -0.35 0.00 -0.44 0.00 0.00 54.58 51.10 1pe1 n ASN 1048Cb 0.22 -0.38 0.09 0.00 -2.53 0.00 0.00 39.78 37.18 1pe1 n ASN 1048CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1pe1 n ARG 1049N -0.58 0.38 -0.10 -3.83 5.12 -1.26 -4.92 116.66 111.47 1pe1 n ARG 1049Ca 0.11 0.18 -0.12 0.00 -1.93 0.00 0.00 57.85 56.10 1pe1 n ARG 1049Cb 0.79 -2.17 -0.04 0.00 -1.16 0.00 0.00 32.46 29.88 1pe1 n ARG 1049CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1pe1 h SER 1050N -0.45 0.63 -2.93 0.55 0.02 -1.98 -3.44 113.55 105.95 1pe1 h SER 1050Ca -0.47 -0.41 -0.63 0.00 -0.84 0.00 0.00 61.79 59.44 1pe1 h SER 1050Cb 1.33 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.62 1pe1 h SER 1050CO 0.45 0.91 -0.35 -0.55 -1.14 0.00 0.00 176.83 176.15 1pe1 s SER 1051N -6.31 6.54 0.57 3.07 0.15 -1.26 -4.97 113.70 111.48 1pe1 s SER 1051Ca -0.13 0.65 0.32 0.00 0.70 0.00 0.00 55.95 57.49 1pe1 s SER 1051Cb 0.08 -2.16 1.71 0.00 -1.71 0.00 0.00 66.02 63.94 1pe1 s SER 1051CO 0.80 0.31 2.16 -0.29 1.20 0.00 0.00 173.24 177.41 1pe1 h ILE 1052N 4.05 0.38 -0.00 6.45 6.09 -2.03 -2.46 117.51 129.99 1pe1 h ILE 1052Ca -0.50 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 62.65 1pe1 h ILE 1052Cb 1.21 1.24 0.00 0.00 0.47 0.00 0.00 36.82 39.73 1pe1 h ILE 1052CO 0.64 0.06 -0.09 1.41 -3.07 0.00 0.00 178.15 177.10 1pe1 n HIS 1053N -3.50 0.00 -2.09 2.19 8.25 -1.26 -4.92 115.22 113.89 1pe1 n HIS 1053Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 1pe1 n HIS 1053Cb 0.18 -0.16 0.01 0.00 1.12 0.00 0.00 29.99 31.15 1pe1 n HIS 1053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1pe1 s SER 1054N -2.41 6.16 0.28 0.41 0.01 -0.93 -5.01 113.70 112.21 1pe1 s SER 1054Ca 0.31 1.25 -0.30 0.00 1.31 0.00 0.00 55.95 58.52 1pe1 s SER 1054Cb 0.20 -2.34 -0.10 0.00 0.21 0.00 0.00 66.02 63.98 1pe1 s SER 1054CO 0.46 -0.84 1.45 0.12 0.41 0.00 0.00 173.24 174.84 1pe1 s PHE 1055N -3.07 2.93 -0.08 2.43 5.36 -1.26 -4.94 117.98 119.34 1pe1 s PHE 1055Ca 0.53 1.06 -0.02 0.00 -0.96 0.00 0.00 56.93 57.54 1pe1 s PHE 1055Cb -0.11 -3.87 -0.04 0.00 -0.34 0.00 0.00 43.02 38.66 1pe1 s PHE 1055CO 0.51 -2.74 -0.09 0.54 -1.46 0.00 0.00 175.22 171.98 1pe1 n ARG 1056N 1.87 0.19 -1.16 10.12 1.74 -1.26 -4.72 116.66 123.43 1pe1 n ARG 1056Ca 0.05 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1pe1 n ARG 1056Cb 0.40 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1pe1 n ARG 1056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pe1 n GLY 1057N 2.84 0.12 1.19 -0.13 0.00 -1.26 -0.65 105.19 107.30 1pe1 n GLY 1057Ca -0.15 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.21 1pe1 n GLY 1057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pe1 n HIS 1058N 4.56 1.20 0.00 1.61 8.25 -1.26 -5.05 115.22 124.54 1pe1 n HIS 1058Ca 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 1pe1 n HIS 1058Cb 0.00 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 30.82 1pe1 n HIS 1058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pe1 n GLY 1059N 0.22 1.21 0.15 -1.41 0.00 -1.25 -4.49 105.19 99.62 1pe1 n GLY 1059Ca 0.22 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 1pe1 n GLY 1059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pe1 h LEU 1060N 0.00 -0.28 -0.30 0.99 7.12 -1.98 -1.79 115.31 119.07 1pe1 h LEU 1060Ca 0.00 0.02 0.07 0.00 0.13 0.00 0.00 57.88 58.09 1pe1 h LEU 1060Cb 0.00 0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 40.13 1pe1 h LEU 1060CO 0.00 -0.18 -0.34 -0.08 -0.13 0.00 0.00 178.44 177.71 1pe1 h GLU 1061N -0.28 -0.30 -0.61 1.25 4.81 -1.98 -0.09 114.58 117.37 1pe1 h GLU 1061Ca -0.02 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pe1 h GLU 1061Cb 0.24 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1pe1 h GLU 1061CO 0.01 -0.20 0.36 -0.92 -0.73 0.00 0.00 179.01 177.54 1pe1 h TYR 1062N -0.31 0.81 -0.57 0.92 3.20 -1.78 -1.71 116.97 117.54 1pe1 h TYR 1062Ca 0.14 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 1pe1 h TYR 1062Cb 0.55 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1pe1 h TYR 1062CO -0.50 0.56 0.02 0.78 -1.64 0.00 0.00 178.16 177.38 1pe1 h GLY 1063N 0.83 1.06 1.27 1.82 0.00 -0.84 -0.38 103.07 106.83 1pe1 h GLY 1063Ca 0.22 -0.76 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 1pe1 h GLY 1063CO -0.04 0.70 -0.12 -2.08 0.00 0.00 0.00 176.54 175.01 1pe1 h VAL 1064N 0.87 1.26 -0.31 4.60 2.07 -0.90 0.11 116.25 123.95 1pe1 h VAL 1064Ca 0.16 -1.21 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 1pe1 h VAL 1064Cb 0.51 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1pe1 h VAL 1064CO 0.02 0.42 -0.25 0.50 0.02 0.00 0.00 177.57 178.28 1pe1 h LYS 1065N 0.77 0.62 -0.23 1.57 3.64 -1.00 0.15 116.57 122.08 1pe1 h LYS 1065Ca 0.13 -0.24 -0.20 0.00 -1.27 0.00 0.00 60.65 59.06 1pe1 h LYS 1065Cb 0.63 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1pe1 h LYS 1065CO 0.04 0.81 -0.65 0.00 -2.27 0.00 0.00 179.45 177.38 1pe1 h ALA 1066N 1.19 0.40 -0.51 5.00 0.00 -0.68 -1.95 119.26 122.71 1pe1 h ALA 1066Ca 0.08 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1pe1 h ALA 1066Cb 0.71 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1pe1 h ALA 1066CO 0.05 0.68 -0.01 -0.07 0.00 0.00 0.00 179.25 179.91 1pe1 h LEU 1067N 0.61 0.84 -1.34 0.00 3.38 -0.81 -2.23 115.31 115.77 1pe1 h LEU 1067Ca -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1pe1 h LEU 1067Cb 1.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1pe1 h LEU 1067CO 0.14 0.92 0.06 -0.09 0.09 0.00 0.00 178.44 179.55 1pe1 h ARG 1068N 0.81 0.50 -0.32 1.13 2.43 -0.52 -1.08 114.38 117.32 1pe1 h ARG 1068Ca 0.15 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1pe1 h ARG 1068Cb 0.50 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1pe1 h ARG 1068CO 0.02 0.49 0.10 -0.22 -1.51 0.00 0.00 179.97 178.85 1pe1 h LYS 1069N 0.49 0.49 -0.61 0.20 1.63 -0.79 -1.04 116.57 116.94 1pe1 h LYS 1069Ca 0.11 -0.10 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1pe1 h LYS 1069Cb 0.23 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 1pe1 h LYS 1069CO 0.00 0.52 0.34 0.28 -3.45 0.00 0.00 179.45 177.14 1pe1 h VAL 1070N 0.36 0.99 -0.51 2.00 2.07 -1.04 0.25 116.25 120.36 1pe1 h VAL 1070Ca 0.10 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1pe1 h VAL 1070Cb 0.23 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1pe1 h VAL 1070CO -0.00 0.12 0.00 0.50 0.02 0.00 0.00 177.57 178.21 1pe1 h LYS 1071N 0.64 0.85 0.02 1.57 3.64 -0.88 -1.06 116.57 121.36 1pe1 h LYS 1071Ca 0.27 -0.24 -0.26 0.00 -1.27 0.00 0.00 60.65 59.14 1pe1 h LYS 1071Cb 0.13 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1pe1 h LYS 1071CO -0.16 0.85 -1.06 1.49 -2.27 0.00 0.00 179.45 178.30 1pe1 h GLU 1072N 0.79 0.62 -0.01 1.90 4.81 -0.80 0.82 114.58 122.72 1pe1 h GLU 1072Ca 0.15 -0.70 -0.24 0.00 -0.13 0.00 0.00 59.36 58.44 1pe1 h GLU 1072Cb 0.47 0.21 0.01 0.00 0.63 0.00 0.00 28.75 30.07 1pe1 h GLU 1072CO 0.02 1.29 -0.96 1.49 -0.73 0.00 0.00 179.01 180.12 1pe1 h GLU 1073N 0.34 0.54 -0.00 1.92 4.81 -0.47 -3.37 114.58 118.35 1pe1 h GLU 1073Ca -0.13 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 1pe1 h GLU 1073Cb 1.71 0.16 0.00 0.00 0.63 0.00 0.00 28.75 31.25 1pe1 h GLU 1073CO 0.20 1.19 -0.28 1.19 -0.73 0.00 0.00 179.01 180.59 1pe1 n PHE 1074N -3.80 0.00 -2.14 0.92 3.72 -0.41 -5.00 117.46 110.75 1pe1 n PHE 1074Ca -0.08 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.21 1pe1 n PHE 1074Cb 0.84 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.37 1pe1 n PHE 1074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pe1 n GLY 1075N 0.99 0.02 3.89 1.37 0.00 0.28 -4.98 105.19 106.76 1pe1 n GLY 1075Ca 0.03 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1pe1 n GLY 1075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pe1 s LEU 1076N -3.15 4.35 0.73 0.99 1.02 -1.24 -5.06 118.68 116.33 1pe1 s LEU 1076Ca 0.00 0.50 -0.12 0.00 0.02 0.00 0.00 54.13 54.53 1pe1 s LEU 1076Cb 0.00 -2.81 0.04 0.00 0.02 0.00 0.00 46.19 43.44 1pe1 s LEU 1076CO 0.00 0.21 1.09 -0.54 0.02 0.00 0.00 176.35 177.13 1pe1 s LYS 1077N -2.03 2.47 0.01 1.70 1.02 -1.26 -4.48 119.74 117.17 1pe1 s LYS 1077Ca 0.31 1.22 0.05 0.00 0.02 0.00 0.00 55.97 57.57 1pe1 s LYS 1077Cb -0.13 -1.92 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 1pe1 s LYS 1077CO 0.19 -1.49 -0.16 0.42 -0.92 0.00 0.00 175.35 173.40 1pe1 s ILE 1078N -2.74 1.27 0.01 2.17 -1.09 -1.26 -0.58 121.20 118.98 1pe1 s ILE 1078Ca 0.63 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 58.21 1pe1 s ILE 1078Cb -0.18 -1.09 -0.01 0.00 -1.58 0.00 0.00 42.46 39.60 1pe1 s ILE 1078CO 0.51 0.22 -0.05 0.28 -1.23 0.00 0.00 174.94 174.67 1pe1 s THR 1079N -0.57 0.39 0.17 2.92 -1.32 -0.27 -0.25 115.64 116.71 1pe1 s THR 1079Ca 0.05 -0.51 -0.13 0.00 -1.21 0.00 0.00 61.69 59.89 1pe1 s THR 1079Cb -0.07 -0.39 0.01 0.00 -1.51 0.00 0.00 72.50 70.54 1pe1 s THR 1079CO 0.00 -0.09 0.39 0.28 -2.21 0.00 0.00 174.62 172.99 1pe1 s THR 1080N -0.59 0.05 0.04 5.08 -1.32 -1.17 -3.15 115.64 114.59 1pe1 s THR 1080Ca -0.03 -1.06 -0.00 0.00 -1.21 0.00 0.00 61.69 59.39 1pe1 s THR 1080Cb -0.05 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 1pe1 s THR 1080CO -0.00 -0.25 0.18 1.51 -2.21 0.00 0.00 174.62 173.86 1pe1 s ASP 1081N -2.91 6.24 0.21 8.08 -4.77 -1.26 -0.94 116.67 121.32 1pe1 s ASP 1081Ca 0.12 0.26 0.09 0.00 -3.30 0.00 0.00 52.55 49.71 1pe1 s ASP 1081Cb 0.01 -1.91 -0.04 0.00 -1.09 0.00 0.00 42.92 39.90 1pe1 s ASP 1081CO -0.03 0.20 -0.04 0.27 0.70 0.00 0.00 175.17 176.27 1pe1 s ILE 1082N -1.43 3.41 0.00 2.11 -4.36 -0.74 -4.80 121.20 115.39 1pe1 s ILE 1082Ca 0.32 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1pe1 s ILE 1082Cb -0.13 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.84 1pe1 s ILE 1082CO 0.24 -0.21 0.00 1.41 0.24 0.00 0.00 174.94 176.62 1pe1 n HIS 1083N -0.35 0.00 -4.00 1.37 8.25 -1.26 -4.36 115.22 114.87 1pe1 n HIS 1083Ca -0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.29 1pe1 n HIS 1083Cb 0.57 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.57 1pe1 n HIS 1083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1pe1 s GLU 1084N -1.87 0.42 0.28 -0.41 2.02 -1.26 -5.06 118.70 112.81 1pe1 s GLU 1084Ca 0.00 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.23 1pe1 s GLU 1084Cb 0.00 0.15 0.58 0.00 0.10 0.00 0.00 34.13 34.96 1pe1 s GLU 1084CO 0.00 -0.08 1.80 0.77 0.02 0.00 0.00 175.26 177.77 1pe1 h SER 1085N 4.16 0.78 -0.03 -0.19 0.02 -1.91 -1.75 113.55 114.63 1pe1 h SER 1085Ca -0.33 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1pe1 h SER 1085Cb 1.19 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 1pe1 h SER 1085CO 0.48 0.36 0.06 4.11 -1.14 0.00 0.00 176.83 180.71 1pe1 h TRP 1086N 0.83 0.00 0.00 3.45 5.08 -1.97 -2.22 115.95 121.12 1pe1 h TRP 1086Ca 0.50 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.47 1pe1 h TRP 1086Cb 0.62 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.78 1pe1 h TRP 1086CO -0.03 0.00 -0.00 1.04 -1.28 0.00 0.00 178.44 178.17 1pe1 n GLN 1087N -3.43 0.22 -0.18 0.12 6.02 -0.66 -4.00 117.38 115.47 1pe1 n GLN 1087Ca -0.02 0.18 -0.05 0.00 -0.01 0.00 0.00 57.00 57.09 1pe1 n GLN 1087Cb 0.14 -1.75 0.04 0.00 1.02 0.00 0.00 30.24 29.69 1pe1 n GLN 1087CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pe1 h ALA 1088N 2.61 0.69 0.41 -1.58 0.00 -1.55 -1.88 119.26 117.96 1pe1 h ALA 1088Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pe1 h ALA 1088Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1pe1 h ALA 1088CO 0.00 0.05 -0.20 1.49 0.00 0.00 0.00 179.25 180.59 1pe1 h GLU 1089N 0.65 -0.53 -0.47 0.00 4.81 -1.78 0.11 114.58 117.37 1pe1 h GLU 1089Ca 0.22 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1pe1 h GLU 1089Cb 0.01 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1pe1 h GLU 1089CO -0.09 -0.25 0.07 -1.00 -0.73 0.00 0.00 179.01 177.01 1pe1 h PRO 1090N -0.77 0.72 -0.08 0.92 0.13 -1.75 -2.51 132.00 128.66 1pe1 h PRO 1090Ca -0.06 -0.15 -0.11 0.00 -0.87 0.00 0.00 66.00 64.81 1pe1 h PRO 1090Cb 0.53 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1pe1 h PRO 1090CO 0.09 0.68 -0.47 0.28 -0.23 0.00 0.00 178.00 178.36 1pe1 h VAL 1091N 0.69 1.33 0.00 1.56 2.07 -1.27 -2.46 116.25 118.18 1pe1 h VAL 1091Ca 0.15 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1pe1 h VAL 1091Cb 0.32 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1pe1 h VAL 1091CO 0.00 0.49 0.00 0.00 0.02 0.00 0.00 177.57 178.08 1pe1 n ALA 1092N -2.47 1.37 0.26 1.67 0.00 0.37 -1.22 120.51 120.49 1pe1 n ALA 1092Ca -0.02 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1pe1 n ALA 1092Cb 0.51 -1.35 0.68 0.00 0.00 0.00 0.00 19.45 19.30 1pe1 n ALA 1092CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pe1 h GLU 1093N 0.00 0.00 0.00 0.00 5.08 -1.43 -3.33 114.58 114.90 1pe1 h GLU 1093Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pe1 h GLU 1093Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1pe1 h GLU 1093CO 0.00 0.14 -0.98 1.55 -1.00 0.00 0.00 179.01 178.72 1pe1 n VAL 1094N -3.62 0.00 -2.69 3.13 3.14 -0.56 -5.04 118.33 112.69 1pe1 n VAL 1094Ca -0.02 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.94 1pe1 n VAL 1094Cb 0.27 -0.95 -0.02 0.00 -1.06 0.00 0.00 33.84 32.07 1pe1 n VAL 1094CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pe1 s ALA 1095N -1.98 3.68 0.22 1.55 0.00 -0.35 -4.60 121.76 120.27 1pe1 s ALA 1095Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.13 1pe1 s ALA 1095Cb 0.00 -3.51 0.21 0.00 0.00 0.00 0.00 23.12 19.82 1pe1 s ALA 1095CO 0.00 -1.02 1.54 -0.44 0.00 0.00 0.00 175.76 175.84 1pe1 h ASP 1096N 7.46 0.36 -3.25 0.00 3.32 -0.95 -3.43 116.42 119.93 1pe1 h ASP 1096Ca -0.20 -0.20 -0.56 0.00 0.02 0.00 0.00 57.03 56.09 1pe1 h ASP 1096Cb 1.07 -0.10 -0.35 0.00 0.22 0.00 0.00 39.33 40.16 1pe1 h ASP 1096CO 0.96 0.87 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.90 1pe1 s ILE 1097N -3.82 1.31 -0.16 0.35 1.01 -0.87 -2.16 121.20 116.85 1pe1 s ILE 1097Ca -0.05 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 1pe1 s ILE 1097Cb 0.12 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 1pe1 s ILE 1097CO 0.81 0.41 0.30 -0.63 0.00 0.00 0.00 174.94 175.82 1pe1 s ILE 1098N 1.20 5.30 -0.15 2.92 1.01 0.38 -3.04 121.20 128.83 1pe1 s ILE 1098Ca -0.03 0.56 -0.08 0.00 0.00 0.00 0.00 60.65 61.10 1pe1 s ILE 1098Cb -0.14 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1pe1 s ILE 1098CO -0.04 0.38 0.12 -1.58 0.00 0.00 0.00 174.94 173.83 1pe1 s GLN 1099N 0.50 3.72 -0.27 2.79 0.74 -0.12 -0.97 119.66 126.06 1pe1 s GLN 1099Ca 0.17 -0.19 -0.09 0.00 0.05 0.00 0.00 55.36 55.30 1pe1 s GLN 1099Cb -0.13 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 1pe1 s GLN 1099CO 0.04 0.57 0.12 0.42 -0.55 0.00 0.00 175.29 175.89 1pe1 s ILE 1100N -0.43 4.68 0.64 -2.34 -1.09 -0.07 -1.80 121.20 120.79 1pe1 s ILE 1100Ca 0.12 -0.09 -0.18 0.00 -2.23 0.00 0.00 60.65 58.27 1pe1 s ILE 1100Cb -0.12 -3.23 -0.02 0.00 -1.58 0.00 0.00 42.46 37.51 1pe1 s ILE 1100CO 0.02 0.28 1.08 -2.65 -1.23 0.00 0.00 174.94 172.43 1pe1 n PRO 1101N 4.98 0.88 -0.36 2.79 -0.02 -1.26 -1.71 135.00 140.30 1pe1 n PRO 1101Ca -0.15 0.35 0.02 0.00 -2.02 0.00 0.00 63.50 61.70 1pe1 n PRO 1101Cb 0.51 -2.31 0.17 0.00 -0.02 0.00 0.00 33.50 31.86 1pe1 n PRO 1101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pe1 h ALA 1102N 0.34 1.37 0.00 3.55 0.00 -1.89 -0.27 119.26 122.36 1pe1 h ALA 1102Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1pe1 h ALA 1102Cb 1.35 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pe1 h ALA 1102CO 0.51 0.44 0.00 0.74 0.00 0.00 0.00 179.25 180.93 1pe1 h PHE 1103N 1.16 0.00 -0.45 0.00 0.04 -1.91 -3.00 116.94 112.78 1pe1 h PHE 1103Ca 0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.20 1pe1 h PHE 1103Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1pe1 h PHE 1103CO -0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 1pe1 n LEU 1104N -2.71 3.99 0.08 1.54 4.77 -0.13 -4.65 117.00 119.88 1pe1 n LEU 1104Ca 0.01 -2.47 0.09 0.00 -0.03 0.00 0.00 56.01 53.61 1pe1 n LEU 1104Cb 0.26 -0.47 0.40 0.00 -2.33 0.00 0.00 43.42 41.29 1pe1 n LEU 1104CO 0.23 0.75 0.78 0.00 -1.33 0.00 0.00 177.39 177.83 1pe1 n ARG 1106N -1.93 1.45 -2.37 0.00 1.74 -1.26 -4.93 116.66 109.37 1pe1 n ARG 1106Ca 0.02 -1.57 -0.40 0.00 -0.77 0.00 0.00 57.85 55.13 1pe1 n ARG 1106Cb 0.18 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 1pe1 n ARG 1106CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1pe1 s GLN 1107N -1.17 3.01 0.18 5.56 -1.52 -0.52 -4.89 119.66 120.31 1pe1 s GLN 1107Ca 0.20 -0.02 -0.15 0.00 -1.95 0.00 0.00 55.36 53.44 1pe1 s GLN 1107Cb 0.13 -4.35 0.16 0.00 -0.22 0.00 0.00 33.01 28.73 1pe1 s GLN 1107CO 0.19 -2.39 1.67 1.15 -0.25 0.00 0.00 175.29 175.66 1pe1 h THR 1108N 6.40 0.57 -0.40 -0.19 2.02 -1.91 -2.05 112.91 117.35 1pe1 h THR 1108Ca -0.23 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 1pe1 h THR 1108Cb 1.08 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1pe1 h THR 1108CO 1.27 0.01 0.04 0.44 0.37 0.00 0.00 175.52 177.65 1pe1 h ASP 1109N 0.06 0.57 -0.25 4.18 3.32 -1.99 -0.43 116.42 121.88 1pe1 h ASP 1109Ca 0.24 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1pe1 h ASP 1109Cb 0.36 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1pe1 h ASP 1109CO -0.45 0.61 -0.11 0.25 -1.72 0.00 0.00 179.24 177.82 1pe1 h LEU 1110N 0.58 0.53 -0.43 1.55 5.85 -1.77 0.85 115.31 122.47 1pe1 h LEU 1110Ca 0.13 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1pe1 h LEU 1110Cb 0.31 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1pe1 h LEU 1110CO 0.01 0.82 0.25 -0.07 -0.34 0.00 0.00 178.44 179.11 1pe1 h LEU 1111N 0.24 0.51 -0.82 2.25 3.38 -1.12 -1.26 115.31 118.50 1pe1 h LEU 1111Ca 0.06 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1pe1 h LEU 1111Cb 0.61 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1pe1 h LEU 1111CO 0.03 0.42 -0.05 -0.07 0.09 0.00 0.00 178.44 178.87 1pe1 h LEU 1112N 0.56 0.82 -0.58 1.67 4.07 -1.01 -0.48 115.31 120.36 1pe1 h LEU 1112Ca 0.15 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1pe1 h LEU 1112Cb 0.01 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.50 1pe1 h LEU 1112CO -0.03 0.91 0.38 0.00 -1.08 0.00 0.00 178.44 178.62 1pe1 h ALA 1113N 1.17 0.74 -0.43 1.53 0.00 -0.42 -2.16 119.26 119.69 1pe1 h ALA 1113Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1pe1 h ALA 1113Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1pe1 h ALA 1113CO 0.03 0.18 0.10 0.00 0.00 0.00 0.00 179.25 179.57 1pe1 h ALA 1114N 1.21 0.56 -0.25 0.00 0.00 -0.99 -3.25 119.26 116.55 1pe1 h ALA 1114Ca 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1pe1 h ALA 1114Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1pe1 h ALA 1114CO -0.04 0.24 -0.07 0.00 0.00 0.00 0.00 179.25 179.38 1pe1 h ALA 1115N 0.96 1.43 0.00 0.00 0.00 -0.69 -2.62 119.26 118.34 1pe1 h ALA 1115Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pe1 h ALA 1115Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pe1 h ALA 1115CO 0.00 0.40 0.00 0.36 0.00 0.00 0.00 179.25 180.01 1pe1 n LYS 1116N -4.27 0.46 0.24 0.00 2.85 -0.85 -3.13 118.16 113.45 1pe1 n LYS 1116Ca 0.00 0.01 0.15 0.00 -1.05 0.00 0.00 58.31 57.42 1pe1 n LYS 1116Cb 0.26 -1.50 0.50 0.00 -0.65 0.00 0.00 35.03 33.64 1pe1 n LYS 1116CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1pe1 h THR 1117N 0.00 0.00 0.00 0.58 1.35 -1.56 -3.47 112.91 109.82 1pe1 h THR 1117Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1pe1 h THR 1117Cb 0.26 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1pe1 h THR 1117CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1pe1 n GLY 1118N 0.41 1.09 3.91 5.82 0.00 -1.18 -5.05 105.19 110.19 1pe1 n GLY 1118Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1pe1 n GLY 1118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pe1 s ARG 1119N -0.30 2.89 0.67 1.61 1.81 -1.26 -4.93 118.95 119.43 1pe1 s ARG 1119Ca 0.00 0.13 -0.13 0.00 -1.72 0.00 0.00 55.73 54.01 1pe1 s ARG 1119Cb 0.00 -2.20 -0.00 0.00 -0.45 0.00 0.00 34.95 32.30 1pe1 s ARG 1119CO 0.00 -0.81 1.07 0.00 -0.68 0.00 0.00 175.30 174.88 1pe1 s ALA 1120N -3.10 2.59 -0.04 2.13 0.00 -0.92 -4.72 121.76 117.70 1pe1 s ALA 1120Ca 0.55 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.84 1pe1 s ALA 1120Cb -0.11 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1pe1 s ALA 1120CO 0.47 -1.18 -0.11 0.08 0.00 0.00 0.00 175.76 175.03 1pe1 s VAL 1121N -2.69 0.96 -0.17 0.00 1.01 -0.29 -0.47 120.40 118.75 1pe1 s VAL 1121Ca 0.62 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1pe1 s VAL 1121Cb -0.16 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.37 1pe1 s VAL 1121CO 0.46 0.30 -0.20 0.21 0.00 0.00 0.00 175.10 175.88 1pe1 s ASN 1122N 0.43 3.07 -0.23 3.32 2.47 -0.14 -1.27 114.94 122.58 1pe1 s ASN 1122Ca -0.08 -0.62 -0.08 0.00 0.42 0.00 0.00 52.86 52.50 1pe1 s ASN 1122Cb -0.12 -1.44 -0.04 0.00 -1.45 0.00 0.00 41.25 38.21 1pe1 s ASN 1122CO 0.02 0.01 0.08 -0.69 -3.72 0.00 0.00 177.10 172.80 1pe1 s VAL 1123N 1.24 4.58 0.04 -5.21 1.01 -0.09 -0.89 120.40 121.08 1pe1 s VAL 1123Ca 0.03 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 1pe1 s VAL 1123Cb -0.13 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1pe1 s VAL 1123CO -0.11 0.36 1.28 -0.54 0.00 0.00 0.00 175.10 176.10 1pe1 s LYS 1124N 1.24 4.36 0.00 2.72 -0.14 -0.69 -0.91 119.74 126.33 1pe1 s LYS 1124Ca 0.05 1.86 -0.30 0.00 -1.36 0.00 0.00 55.97 56.22 1pe1 s LYS 1124Cb -0.14 -3.41 -0.06 0.00 -1.68 0.00 0.00 37.83 32.54 1pe1 s LYS 1124CO 0.04 -0.39 1.50 0.21 -0.76 0.00 0.00 175.35 175.95 1pe1 s LYS 1125N 1.53 4.24 0.52 1.68 2.20 0.01 -4.02 119.74 125.89 1pe1 s LYS 1125Ca 0.61 2.09 -0.22 0.00 -0.36 0.00 0.00 55.97 58.08 1pe1 s LYS 1125Cb -0.31 -3.65 -0.06 0.00 -1.51 0.00 0.00 37.83 32.30 1pe1 s LYS 1125CO 0.28 -0.67 1.24 0.41 -0.36 0.00 0.00 175.35 176.25 1pe1 n GLY 1126N 3.81 0.44 0.15 5.54 0.00 -1.24 -4.57 105.19 109.31 1pe1 n GLY 1126Ca 0.15 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1pe1 n GLY 1126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pe1 n GLN 1127N -0.72 0.14 0.00 1.61 3.00 -1.26 -1.31 117.38 118.84 1pe1 n GLN 1127Ca 0.10 0.59 0.10 0.00 -0.01 0.00 0.00 57.00 57.79 1pe1 n GLN 1127Cb 0.44 -1.92 -0.06 0.00 0.00 0.00 0.00 30.24 28.69 1pe1 n GLN 1127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1pe1 n PHE 1128N -2.22 0.00 -3.45 1.08 -1.74 -1.26 -1.29 117.46 108.58 1pe1 n PHE 1128Ca -0.01 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.51 1pe1 n PHE 1128Cb 0.07 -0.01 -0.06 0.00 1.52 0.00 0.00 39.48 40.99 1pe1 n PHE 1128CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1pe1 s LEU 1129N -2.82 4.29 0.47 5.98 2.96 -0.42 -5.06 118.68 124.07 1pe1 s LEU 1129Ca 0.12 0.69 -0.22 0.00 -0.22 0.00 0.00 54.13 54.50 1pe1 s LEU 1129Cb 0.17 -2.52 -0.08 0.00 0.50 0.00 0.00 46.19 44.26 1pe1 s LEU 1129CO 0.76 0.10 1.10 0.00 -1.32 0.00 0.00 176.35 176.98 1pe1 s ALA 1130N 0.30 2.91 0.31 5.97 0.00 -1.26 -4.83 121.76 125.15 1pe1 s ALA 1130Ca 0.21 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1pe1 s ALA 1130Cb -0.14 -3.32 0.48 0.00 0.00 0.00 0.00 23.12 20.14 1pe1 s ALA 1130CO 0.08 -0.48 1.97 -1.00 0.00 0.00 0.00 175.76 176.33 1pe1 h PRO 1131N 1.84 1.04 0.00 0.00 0.13 -1.97 -1.25 132.00 131.78 1pe1 h PRO 1131Ca -0.49 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1pe1 h PRO 1131Cb 1.24 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1pe1 h PRO 1131CO 0.60 0.69 -0.03 0.11 -0.23 0.00 0.00 178.00 179.13 1pe1 h TRP 1132N 1.07 0.00 -0.01 1.56 0.09 -1.93 -2.67 115.95 114.06 1pe1 h TRP 1132Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.28 1pe1 h TRP 1132Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.14 1pe1 h TRP 1132CO -0.00 0.03 0.00 -0.25 0.09 0.00 0.00 178.44 178.31 1pe1 n ASP 1133N -3.22 0.10 0.11 0.11 8.00 -0.47 -2.72 116.55 118.45 1pe1 n ASP 1133Ca -0.01 -1.63 0.12 0.00 0.71 0.00 0.00 54.79 53.99 1pe1 n ASP 1133Cb 0.22 -0.01 0.23 0.00 -0.02 0.00 0.00 41.12 41.54 1pe1 n ASP 1133CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1pe1 h THR 1134N 0.12 0.00 -0.71 -3.53 1.35 -1.57 -3.32 112.91 105.24 1pe1 h THR 1134Ca 0.00 -0.63 0.10 0.00 -0.55 0.00 0.00 66.41 65.34 1pe1 h THR 1134Cb 0.03 1.41 -0.08 0.00 -1.73 0.00 0.00 68.15 67.78 1pe1 h THR 1134CO 0.00 0.00 0.33 0.50 -0.25 0.00 0.00 175.52 176.10 1pe1 h LYS 1135N 0.00 0.53 0.00 4.72 3.64 -1.72 -1.89 116.57 121.85 1pe1 h LYS 1135Ca 0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1pe1 h LYS 1135Cb 0.81 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1pe1 h LYS 1135CO 0.00 0.35 -0.34 -0.91 -2.27 0.00 0.00 179.45 176.28 1pe1 h ASN 1136N 0.54 0.00 -0.19 4.20 2.35 -1.83 -1.51 115.58 119.15 1pe1 h ASN 1136Ca 0.36 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1pe1 h ASN 1136Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1pe1 h ASN 1136CO -0.30 0.34 0.03 0.58 -1.65 0.00 0.00 177.43 176.42 1pe1 h VAL 1137N 0.00 1.23 -0.44 2.81 2.07 -1.54 -0.46 116.25 119.92 1pe1 h VAL 1137Ca -0.00 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1pe1 h VAL 1137Cb 0.75 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1pe1 h VAL 1137CO 0.04 0.23 0.13 0.58 0.02 0.00 0.00 177.57 178.57 1pe1 h VAL 1138N 0.09 1.22 -0.82 2.57 2.07 -1.15 -1.40 116.25 118.84 1pe1 h VAL 1138Ca 0.06 -0.75 0.09 0.00 0.82 0.00 0.00 66.70 66.91 1pe1 h VAL 1138Cb 0.32 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 1pe1 h VAL 1138CO 0.00 0.27 0.47 -0.08 0.02 0.00 0.00 177.57 178.25 1pe1 h GLU 1139N 0.57 0.78 -0.47 1.57 4.81 -1.16 0.19 114.58 120.86 1pe1 h GLU 1139Ca 0.14 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1pe1 h GLU 1139Cb 0.28 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1pe1 h GLU 1139CO -0.00 0.52 0.15 0.87 -0.73 0.00 0.00 179.01 179.81 1pe1 h LYS 1140N 0.80 0.74 -0.55 1.92 1.57 -0.58 -0.24 116.57 120.23 1pe1 h LYS 1140Ca 0.39 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1pe1 h LYS 1140Cb 0.34 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1pe1 h LYS 1140CO -0.24 0.70 0.15 -0.07 -0.57 0.00 0.00 179.45 179.42 1pe1 h LEU 1141N 0.63 0.82 -0.58 2.94 3.38 -0.41 -1.60 115.31 120.49 1pe1 h LEU 1141Ca 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1pe1 h LEU 1141Cb 0.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1pe1 h LEU 1141CO -0.01 0.82 0.23 0.11 0.09 0.00 0.00 178.44 179.68 1pe1 h LYS 1142N 0.77 0.87 -0.97 1.13 1.57 -0.46 -0.03 116.57 119.44 1pe1 h LYS 1142Ca 0.18 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1pe1 h LYS 1142Cb 0.31 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 1pe1 h LYS 1142CO -0.00 0.75 0.63 0.35 -0.57 0.00 0.00 179.45 180.61 1pe1 h PHE 1143N 0.80 1.16 -0.00 -1.35 3.57 -0.88 -1.75 116.94 118.49 1pe1 h PHE 1143Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1pe1 h PHE 1143Cb 0.21 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1pe1 h PHE 1143CO 0.01 0.62 0.00 0.41 -2.23 0.00 0.00 178.31 177.12 1pe1 n GLY 1144N -1.38 -1.00 0.38 2.40 0.00 -0.62 -4.91 105.19 100.08 1pe1 n GLY 1144Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pe1 n GLY 1144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pe1 n GLY 1145N 0.83 0.61 3.72 -0.02 0.00 -0.66 -3.11 105.19 106.56 1pe1 n GLY 1145Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1pe1 n GLY 1145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe1 s ALA 1146N -2.24 3.59 -0.63 4.61 0.00 -0.10 -4.86 121.76 122.13 1pe1 s ALA 1146Ca 0.00 1.12 0.13 0.00 0.00 0.00 0.00 51.96 53.21 1pe1 s ALA 1146Cb 0.00 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 1pe1 s ALA 1146CO 0.00 -0.61 0.57 1.63 0.00 0.00 0.00 175.76 177.35 1pe1 n LYS 1147N 3.89 2.53 -3.74 0.00 5.02 -1.26 -4.40 118.16 120.19 1pe1 n LYS 1147Ca 0.11 -0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.12 1pe1 n LYS 1147Cb 0.42 -1.14 -0.16 0.00 -0.02 0.00 0.00 35.03 34.13 1pe1 n LYS 1147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1pe1 s GLU 1148N -2.28 0.67 -0.03 1.97 2.12 -1.26 -5.11 118.70 114.78 1pe1 s GLU 1148Ca 0.05 -0.49 0.05 0.00 0.36 0.00 0.00 54.97 54.95 1pe1 s GLU 1148Cb 0.10 -2.10 -0.01 0.00 0.26 0.00 0.00 34.13 32.38 1pe1 s GLU 1148CO 0.55 -0.67 -0.19 0.42 -0.54 0.00 0.00 175.26 174.82 1pe1 s ILE 1149N 1.83 1.57 0.08 -3.70 1.01 -1.26 -1.14 121.20 119.60 1pe1 s ILE 1149Ca -0.00 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 59.90 1pe1 s ILE 1149Cb -0.17 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1pe1 s ILE 1149CO -0.10 0.45 -0.21 -0.31 0.00 0.00 0.00 174.94 174.77 1pe1 s TYR 1150N -0.25 1.85 -0.11 3.97 1.51 -0.40 -2.96 117.35 120.96 1pe1 s TYR 1150Ca 0.02 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1pe1 s TYR 1150Cb -0.10 -1.05 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1pe1 s TYR 1150CO 0.01 0.17 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.88 1pe1 s LEU 1151N -1.61 2.13 -0.22 -1.29 1.43 -0.43 -0.91 118.68 117.78 1pe1 s LEU 1151Ca 0.07 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1pe1 s LEU 1151Cb -0.10 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1pe1 s LEU 1151CO 0.03 0.14 0.03 -0.89 0.23 0.00 0.00 176.35 175.90 1pe1 s THR 1152N 0.43 4.09 -0.11 5.49 2.01 -0.09 -0.34 115.64 127.12 1pe1 s THR 1152Ca -0.16 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 1pe1 s THR 1152Cb -0.17 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1pe1 s THR 1152CO 0.07 0.39 1.19 -0.70 -0.69 0.00 0.00 174.62 174.88 1pe1 s GLU 1153N 1.27 4.31 -0.04 4.92 2.56 0.76 -0.81 118.70 131.67 1pe1 s GLU 1153Ca 0.04 1.61 0.13 0.00 0.00 0.00 0.00 54.97 56.75 1pe1 s GLU 1153Cb -0.15 -3.63 0.24 0.00 2.00 0.00 0.00 34.13 32.60 1pe1 s GLU 1153CO 0.02 -0.53 1.11 2.89 -0.56 0.00 0.00 175.26 178.18 1pe1 n ARG 1154N 5.74 0.33 0.00 4.30 -4.01 -1.26 -1.37 116.66 120.39 1pe1 n ARG 1154Ca 0.12 -1.82 0.00 0.00 -1.04 0.00 0.00 57.85 55.11 1pe1 n ARG 1154Cb 0.46 -0.56 0.00 0.00 -3.04 0.00 0.00 32.46 29.32 1pe1 n ARG 1154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1pe1 n GLY 1155N -0.11 1.52 3.08 2.89 0.00 -1.26 -3.85 105.19 107.46 1pe1 n GLY 1155Ca 0.06 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 1pe1 n GLY 1155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pe1 s THR 1156N -2.57 0.64 0.16 2.61 2.01 0.21 -4.33 115.64 114.37 1pe1 s THR 1156Ca 0.00 -1.08 -0.34 0.00 0.31 0.00 0.00 61.69 60.58 1pe1 s THR 1156Cb 0.00 -0.68 -0.14 0.00 0.01 0.00 0.00 72.50 71.69 1pe1 s THR 1156CO 0.00 -0.33 1.59 0.41 -0.69 0.00 0.00 174.62 175.60 1pe1 n THR 1157N 1.50 0.01 -3.48 -0.82 -1.04 -0.41 -1.20 114.28 108.84 1pe1 n THR 1157Ca -0.22 -0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.50 1pe1 n THR 1157Cb 0.55 -1.57 -0.12 0.00 -1.82 0.00 0.00 70.33 67.37 1pe1 n THR 1157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1pe1 s PHE 1158N 0.99 0.69 0.00 -1.42 5.36 -0.56 -4.82 117.98 118.23 1pe1 s PHE 1158Ca 0.79 -1.54 0.00 0.00 -0.96 0.00 0.00 56.93 55.21 1pe1 s PHE 1158Cb -0.67 -0.93 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 1pe1 s PHE 1158CO 0.38 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.72 1pe1 n GLY 1159N 4.18 -0.20 3.83 13.12 0.00 -1.26 -4.25 105.19 120.61 1pe1 n GLY 1159Ca 0.10 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 1pe1 n GLY 1159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pe1 s TYR 1160N 0.00 3.75 -1.46 1.61 2.02 -1.26 -4.33 117.35 117.68 1pe1 s TYR 1160Ca 0.00 1.06 -0.10 0.00 -0.37 0.00 0.00 57.07 57.65 1pe1 s TYR 1160Cb 0.00 -2.33 0.06 0.00 -0.40 0.00 0.00 41.96 39.29 1pe1 s TYR 1160CO 0.00 0.63 0.78 0.09 -1.57 0.00 0.00 175.55 175.49 1pe1 n ASN 1161N 1.80 -4.93 -3.69 2.29 3.02 -1.26 -4.96 115.26 107.53 1pe1 n ASN 1161Ca -0.13 -0.55 -0.14 0.00 -0.03 0.00 0.00 54.58 53.73 1pe1 n ASN 1161Cb 0.52 -3.97 -0.08 0.00 -0.61 0.00 0.00 39.78 35.64 1pe1 n ASN 1161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1pe1 s ASN 1162N -3.01 -0.45 0.05 6.41 3.04 -1.26 -4.21 114.94 115.52 1pe1 s ASN 1162Ca 0.51 0.68 0.08 0.00 0.04 0.00 0.00 52.86 54.17 1pe1 s ASN 1162Cb -0.25 0.72 -0.03 0.00 -1.54 0.00 0.00 41.25 40.15 1pe1 s ASN 1162CO 0.63 -0.33 -0.23 -0.76 -3.04 0.00 0.00 177.10 173.37 1pe1 s LEU 1163N -0.46 2.19 0.10 3.21 1.43 -1.26 -1.49 118.68 122.39 1pe1 s LEU 1163Ca -0.06 -0.57 0.10 0.00 -1.03 0.00 0.00 54.13 52.57 1pe1 s LEU 1163Cb -0.03 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1pe1 s LEU 1163CO 0.03 0.19 -0.25 0.54 0.23 0.00 0.00 176.35 177.09 1pe1 s VAL 1164N -0.85 2.08 -0.33 -1.59 0.11 -0.34 -4.87 120.40 114.62 1pe1 s VAL 1164Ca 0.09 -1.59 -0.11 0.00 -2.93 0.00 0.00 61.98 57.44 1pe1 s VAL 1164Cb -0.09 -1.83 -0.01 0.00 -1.53 0.00 0.00 36.38 32.91 1pe1 s VAL 1164CO 0.02 0.13 0.20 -0.69 -3.33 0.00 0.00 175.10 171.44 1pe1 s VAL 1165N -1.00 4.99 -0.67 2.04 1.01 -1.26 -0.62 120.40 124.89 1pe1 s VAL 1165Ca 0.11 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1pe1 s VAL 1165Cb -0.10 -3.55 0.11 0.00 0.00 0.00 0.00 36.38 32.84 1pe1 s VAL 1165CO 0.04 0.03 0.82 -0.62 0.00 0.00 0.00 175.10 175.38 1pe1 s ASP 1166N 1.68 6.28 0.05 3.32 -1.08 -1.26 -4.91 116.67 120.74 1pe1 s ASP 1166Ca 0.05 -1.50 0.07 0.00 -0.52 0.00 0.00 52.55 50.66 1pe1 s ASP 1166Cb -0.17 -2.33 0.34 0.00 -1.46 0.00 0.00 42.92 39.30 1pe1 s ASP 1166CO 0.09 -1.15 1.23 0.49 0.52 0.00 0.00 175.17 176.35 1pe1 n PHE 1167N 6.51 0.12 0.30 -5.34 3.01 -1.26 -1.16 117.46 119.64 1pe1 n PHE 1167Ca -0.02 0.06 0.19 0.00 1.01 0.00 0.00 57.45 58.68 1pe1 n PHE 1167Cb 0.44 -0.59 0.94 0.00 -0.01 0.00 0.00 39.48 40.26 1pe1 n PHE 1167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pe1 h ARG 1168N 0.00 0.00 0.00 -1.08 3.08 -2.04 -2.71 114.38 111.64 1pe1 h ARG 1168Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1pe1 h ARG 1168Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1pe1 h ARG 1168CO 0.00 0.00 -0.21 0.66 -1.07 0.00 0.00 179.97 179.35 1pe1 h SER 1169N 0.00 0.00 0.44 7.04 4.64 -1.56 -2.84 113.55 121.27 1pe1 h SER 1169Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1pe1 h SER 1169Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1pe1 h SER 1169CO 0.00 0.21 -0.28 -0.07 -0.87 0.00 0.00 176.83 175.82 1pe1 h LEU 1170N 0.00 -0.71 -0.96 5.97 4.07 -1.71 -0.12 115.31 121.86 1pe1 h LEU 1170Ca -0.00 0.04 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 1pe1 h LEU 1170Cb 0.39 0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 1pe1 h LEU 1170CO 0.03 -0.44 -0.50 1.55 -1.08 0.00 0.00 178.44 177.99 1pe1 h PRO 1171N -0.69 0.00 0.19 1.13 0.13 -1.74 -2.36 132.00 128.65 1pe1 h PRO 1171Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1pe1 h PRO 1171Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1pe1 h PRO 1171CO 0.04 0.50 -0.09 0.82 -0.23 0.00 0.00 178.00 179.05 1pe1 h ILE 1172N 0.00 0.89 -0.02 -3.56 2.04 -1.36 -3.19 117.51 112.32 1pe1 h ILE 1172Ca -0.01 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 1pe1 h ILE 1172Cb 0.92 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1pe1 h ILE 1172CO 0.07 0.09 -0.39 0.24 0.00 0.00 0.00 178.15 178.16 1pe1 h MET 1173N -0.45 0.04 0.00 2.37 2.86 -1.02 -2.03 114.93 116.70 1pe1 h MET 1173Ca -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1pe1 h MET 1173Cb 0.34 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1pe1 h MET 1173CO 0.04 0.43 0.14 -0.22 1.06 0.00 0.00 176.91 178.36 1pe1 h LYS 1174N 0.04 0.00 0.00 1.72 1.63 -1.41 -1.21 116.57 117.34 1pe1 h LYS 1174Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1pe1 h LYS 1174Cb 0.71 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.34 1pe1 h LYS 1174CO 0.05 0.00 -0.05 1.96 -3.45 0.00 0.00 179.45 177.96 1pe1 h GLN 1175N 0.00 0.00 0.00 1.90 4.20 -1.40 -3.33 115.11 116.48 1pe1 h GLN 1175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pe1 h GLN 1175Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1pe1 h GLN 1175CO 0.00 0.05 0.00 -2.67 -0.67 0.00 0.00 178.83 175.54 1pe1 n TRP 1176N -4.11 0.00 -3.84 2.96 2.14 -0.51 -5.11 117.44 108.97 1pe1 n TRP 1176Ca -0.03 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.47 1pe1 n TRP 1176Cb 0.13 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.62 1pe1 n TRP 1176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1pe1 s ALA 1177N -0.14 -1.21 0.41 -1.67 0.00 -0.88 -5.00 121.76 113.26 1pe1 s ALA 1177Ca 0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 51.96 51.40 1pe1 s ALA 1177Cb 0.00 0.80 -0.09 0.00 0.00 0.00 0.00 23.12 23.83 1pe1 s ALA 1177CO 0.00 -1.03 1.05 0.15 0.00 0.00 0.00 175.76 175.93 1pe1 s LYS 1178N -3.62 4.14 -0.13 0.00 1.02 -1.16 -4.04 119.74 115.95 1pe1 s LYS 1178Ca 0.12 1.50 -0.00 0.00 0.02 0.00 0.00 55.97 57.61 1pe1 s LYS 1178Cb -0.05 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 1pe1 s LYS 1178CO 0.07 -0.17 -0.12 0.08 -0.92 0.00 0.00 175.35 174.29 1pe1 s VAL 1179N -1.68 3.15 -0.07 3.17 1.01 -1.26 -1.32 120.40 123.40 1pe1 s VAL 1179Ca 0.58 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1pe1 s VAL 1179Cb -0.22 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1pe1 s VAL 1179CO 0.27 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 175.15 1pe1 s ILE 1180N 0.31 3.25 -0.24 2.22 -1.09 0.54 -0.33 121.20 125.86 1pe1 s ILE 1180Ca -0.09 -0.64 -0.10 0.00 -2.23 0.00 0.00 60.65 57.59 1pe1 s ILE 1180Cb -0.16 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.37 1pe1 s ILE 1180CO 0.05 0.58 0.15 -0.47 -1.23 0.00 0.00 174.94 174.02 1pe1 s TYR 1181N -0.54 3.27 -0.61 3.97 5.04 -0.25 -0.17 117.35 128.06 1pe1 s TYR 1181Ca 0.08 0.14 -0.21 0.00 -2.44 0.00 0.00 57.07 54.63 1pe1 s TYR 1181Cb -0.12 -2.27 0.08 0.00 0.35 0.00 0.00 41.96 40.00 1pe1 s TYR 1181CO 0.02 -0.00 0.83 0.34 -1.34 0.00 0.00 175.55 175.40 1pe1 s ASP 1182N 1.17 6.20 0.49 4.32 -1.08 -0.47 -0.29 116.67 127.00 1pe1 s ASP 1182Ca 0.07 -1.05 0.28 0.00 -0.52 0.00 0.00 52.55 51.33 1pe1 s ASP 1182Cb -0.14 -2.37 0.84 0.00 -1.46 0.00 0.00 42.92 39.79 1pe1 s ASP 1182CO 0.05 -1.24 1.79 0.00 0.52 0.00 0.00 175.17 176.29 1pe1 h ALA 1183N 9.35 1.00 0.00 3.66 0.00 -1.42 -3.18 119.26 128.67 1pe1 h ALA 1183Ca -0.29 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.24 1pe1 h ALA 1183Cb 1.08 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1pe1 h ALA 1183CO 1.12 0.00 -2.46 0.25 0.00 0.00 0.00 179.25 178.16 1pe1 n THR 1184N -3.08 1.47 0.18 0.00 -2.24 -1.26 -4.43 114.28 104.92 1pe1 n THR 1184Ca 0.02 -0.63 0.06 0.00 -2.27 0.00 0.00 64.05 61.24 1pe1 n THR 1184Cb 0.42 -1.22 0.25 0.00 -2.10 0.00 0.00 70.33 67.68 1pe1 n THR 1184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1pe1 h HIS 1185N 0.00 0.00 0.00 4.78 3.86 -1.91 -3.17 115.15 118.71 1pe1 h HIS 1185Ca -0.57 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.64 1pe1 h HIS 1185Cb 1.97 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.44 1pe1 h HIS 1185CO 0.02 0.35 -0.00 0.77 0.86 0.00 0.00 177.93 179.93 1pe1 h SER 1186N 0.00 0.00 -0.23 2.45 0.02 -1.65 -2.32 113.55 111.82 1pe1 h SER 1186Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pe1 h SER 1186Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1pe1 h SER 1186CO 0.05 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.07 1pe1 n VAL 1187N -3.09 0.37 -2.13 2.27 0.24 -1.20 -4.74 118.33 110.05 1pe1 n VAL 1187Ca -0.01 -0.69 -0.34 0.00 -2.04 0.00 0.00 64.34 61.26 1pe1 n VAL 1187Cb 0.19 1.05 0.01 0.00 -1.47 0.00 0.00 33.84 33.62 1pe1 n VAL 1187CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1pe1 s GLN 1188N -1.33 3.27 -0.42 7.34 -0.21 -0.87 -2.05 119.66 125.38 1pe1 s GLN 1188Ca 0.28 1.45 -0.09 0.00 0.02 0.00 0.00 55.36 57.02 1pe1 s GLN 1188Cb 0.17 -2.01 0.08 0.00 1.00 0.00 0.00 33.01 32.25 1pe1 s GLN 1188CO 0.24 -0.89 0.26 -0.51 -2.12 0.00 0.00 175.29 172.27 1pe1 s LEU 1189N -4.15 5.17 0.12 2.90 1.43 0.08 -4.23 118.68 120.00 1pe1 s LEU 1189Ca 0.69 -1.53 -0.34 0.00 -1.03 0.00 0.00 54.13 51.92 1pe1 s LEU 1189Cb -0.21 -1.98 -0.14 0.00 0.03 0.00 0.00 46.19 43.90 1pe1 s LEU 1189CO 0.31 -0.54 1.63 -2.65 0.23 0.00 0.00 176.35 175.33 1pe1 n PRO 1190N 4.91 2.14 -3.36 1.29 -0.02 -1.26 -0.22 135.00 138.49 1pe1 n PRO 1190Ca -0.10 0.78 -0.19 0.00 -2.02 0.00 0.00 63.50 61.97 1pe1 n PRO 1190Cb 0.43 -2.56 0.07 0.00 -0.02 0.00 0.00 33.50 31.42 1pe1 n PRO 1190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pe1 n GLY 1191N 3.58 -0.25 0.00 -1.23 0.00 -1.26 -4.19 105.19 101.84 1pe1 n GLY 1191Ca 0.18 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1pe1 n GLY 1191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pe1 n GLY 1198N -1.65 1.86 0.00 -0.02 0.00 0.69 -5.04 105.19 101.03 1pe1 n GLY 1198Ca -0.02 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1pe1 n GLY 1198CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pe1 n GLY 1199N -1.59 2.51 3.02 -0.02 0.00 -1.26 -0.74 105.19 107.12 1pe1 n GLY 1199Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1pe1 n GLY 1199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pe1 s MET 1200N -1.61 2.16 0.49 1.61 -1.94 -0.87 -4.82 119.30 114.33 1pe1 s MET 1200Ca 0.00 -2.48 0.24 0.00 -1.71 0.00 0.00 55.69 51.74 1pe1 s MET 1200Cb 0.00 -3.48 1.30 0.00 2.01 0.00 0.00 34.83 34.66 1pe1 s MET 1200CO 0.00 -1.12 1.93 -0.09 -0.01 0.00 0.00 175.02 175.73 1pe1 h ARG 1201N 6.88 0.15 0.00 2.03 2.43 -1.89 -1.77 114.38 122.21 1pe1 h ARG 1201Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1pe1 h ARG 1201Cb 0.93 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1pe1 h ARG 1201CO 0.68 0.10 0.00 -0.85 -1.51 0.00 0.00 179.97 178.39 1pe1 n GLU 1202N -4.39 0.12 0.00 0.20 0.00 -1.26 -1.84 120.64 113.46 1pe1 n GLU 1202Ca 0.15 0.45 0.11 0.00 0.00 0.00 0.00 57.16 57.87 1pe1 n GLU 1202Cb 0.70 -1.77 0.01 0.00 0.00 0.00 0.00 31.44 30.38 1pe1 n GLU 1202CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1pe1 n PHE 1203N -2.00 0.00 0.13 -1.84 3.01 -0.67 -4.48 117.46 111.61 1pe1 n PHE 1203Ca 0.01 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.34 1pe1 n PHE 1203Cb 0.14 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 1pe1 n PHE 1203CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1pe1 h ILE 1204N 2.64 0.72 -0.19 4.37 2.04 -1.50 -2.53 117.51 123.06 1pe1 h ILE 1204Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1pe1 h ILE 1204Cb 0.76 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1pe1 h ILE 1204CO 0.00 0.00 0.09 0.15 0.00 0.00 0.00 178.15 178.39 1pe1 h PHE 1205N -0.31 0.28 -0.61 1.37 -0.00 -1.78 -1.53 116.94 114.35 1pe1 h PHE 1205Ca -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 57.97 57.95 1pe1 h PHE 1205Cb 0.27 -0.09 -0.03 0.00 -0.00 0.00 0.00 35.95 36.11 1pe1 h PHE 1205CO -0.10 0.29 0.40 -1.35 -0.00 0.00 0.00 178.31 177.55 1pe1 h PRO 1206N 0.18 0.80 -0.11 6.41 0.10 -1.79 -1.64 132.00 135.95 1pe1 h PRO 1206Ca 0.07 -0.05 -0.08 0.00 0.10 0.00 0.00 66.00 66.04 1pe1 h PRO 1206Cb 0.11 -0.18 -0.01 0.00 0.10 0.00 0.00 31.00 31.02 1pe1 h PRO 1206CO -0.01 0.53 -0.28 -0.07 0.10 0.00 0.00 178.00 178.27 1pe1 h LEU 1207N 0.82 0.20 -0.77 2.35 3.38 -1.35 -2.07 115.31 117.87 1pe1 h LEU 1207Ca 0.22 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1pe1 h LEU 1207Cb -0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1pe1 h LEU 1207CO -0.05 0.48 -0.61 -0.29 0.09 0.00 0.00 178.44 178.05 1pe1 h ILE 1208N 0.18 1.43 -0.59 1.22 2.10 -0.90 -1.28 117.51 119.66 1pe1 h ILE 1208Ca 0.03 -2.11 -0.09 0.00 1.08 0.00 0.00 64.86 63.78 1pe1 h ILE 1208Cb 0.59 2.14 -0.02 0.00 -1.09 0.00 0.00 36.82 38.43 1pe1 h ILE 1208CO 0.04 0.60 0.04 0.03 -1.08 0.00 0.00 178.15 177.78 1pe1 h ARG 1209N 0.00 1.02 -0.73 2.19 3.08 -0.76 -2.37 114.38 116.81 1pe1 h ARG 1209Ca -0.01 -0.31 0.02 0.00 0.07 0.00 0.00 59.98 59.76 1pe1 h ARG 1209Cb 1.09 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 1pe1 h ARG 1209CO 0.08 0.99 0.47 0.00 -1.07 0.00 0.00 179.97 180.44 1pe1 h ALA 1210N 0.99 0.94 -0.53 0.04 0.00 -1.04 -1.45 119.26 118.21 1pe1 h ALA 1210Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1pe1 h ALA 1210Cb 0.51 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1pe1 h ALA 1210CO 0.02 0.29 0.34 0.00 0.00 0.00 0.00 179.25 179.91 1pe1 h ALA 1211N 1.29 0.67 0.00 0.00 0.00 -0.74 -0.18 119.26 120.30 1pe1 h ALA 1211Ca 0.28 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1pe1 h ALA 1211Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1pe1 h ALA 1211CO -0.08 0.08 -0.43 -0.39 0.00 0.00 0.00 179.25 178.43 1pe1 h VAL 1212N 0.69 0.85 -0.31 0.00 -1.51 -1.35 -0.47 116.25 114.14 1pe1 h VAL 1212Ca 0.20 -1.82 -0.18 0.00 -1.23 0.00 0.00 66.70 63.67 1pe1 h VAL 1212Cb -0.05 2.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1pe1 h VAL 1212CO -0.06 0.42 -0.50 0.00 -1.23 0.00 0.00 177.57 176.20 1pe1 h ALA 1213N 1.57 0.51 -0.08 5.19 0.00 -0.40 -3.18 119.26 122.87 1pe1 h ALA 1213Ca -0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1pe1 h ALA 1213Cb 1.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1pe1 h ALA 1213CO 0.06 0.68 0.03 0.28 0.00 0.00 0.00 179.25 180.30 1pe1 h VAL 1214N 0.68 1.14 0.00 0.00 2.07 -0.98 -3.48 116.25 115.69 1pe1 h VAL 1214Ca 0.03 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1pe1 h VAL 1214Cb 1.10 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1pe1 h VAL 1214CO 0.11 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1pe1 n GLY 1215N -0.69 2.99 3.33 2.17 0.00 -0.19 -4.84 105.19 107.96 1pe1 n GLY 1215Ca -0.06 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1pe1 n GLY 1215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe1 n ASP 1217N -0.82 2.44 0.00 0.00 8.00 0.56 -5.00 116.55 121.72 1pe1 n ASP 1217Ca 0.03 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.80 1pe1 n ASP 1217Cb 0.64 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 1pe1 n ASP 1217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pe1 n GLY 1218N 1.37 -0.25 3.15 0.44 0.00 -1.14 -2.01 105.19 106.75 1pe1 n GLY 1218Ca 0.12 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1pe1 n GLY 1218CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pe1 s VAL 1219N -2.00 0.82 -0.11 1.61 -7.23 0.55 -1.09 120.40 112.95 1pe1 s VAL 1219Ca 0.00 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1pe1 s VAL 1219Cb 0.00 -1.25 0.01 0.00 0.56 0.00 0.00 36.38 35.70 1pe1 s VAL 1219CO 0.00 -0.57 -0.20 0.12 -0.31 0.00 0.00 175.10 174.14 1pe1 s PHE 1220N -2.39 2.38 -0.02 2.82 2.19 0.60 -0.36 117.98 123.20 1pe1 s PHE 1220Ca 0.03 -1.08 0.00 0.00 0.33 0.00 0.00 56.93 56.21 1pe1 s PHE 1220Cb -0.03 -1.63 0.02 0.00 -1.31 0.00 0.00 43.02 40.07 1pe1 s PHE 1220CO -0.01 -0.49 0.02 -1.64 1.83 0.00 0.00 175.22 174.94 1pe1 s MET 1221N 0.67 0.05 0.14 10.12 -1.94 0.64 -1.09 119.30 127.89 1pe1 s MET 1221Ca -0.12 0.13 -0.24 0.00 -1.71 0.00 0.00 55.69 53.76 1pe1 s MET 1221Cb -0.16 -0.27 -0.08 0.00 2.01 0.00 0.00 34.83 36.33 1pe1 s MET 1221CO 0.03 -0.14 0.73 -1.21 -0.01 0.00 0.00 175.02 174.42 1pe1 s GLU 1222N 0.91 4.48 -0.08 2.03 2.02 -1.26 -2.91 118.70 123.89 1pe1 s GLU 1222Ca -0.08 1.06 -0.10 0.00 0.02 0.00 0.00 54.97 55.87 1pe1 s GLU 1222Cb -0.11 -3.26 0.02 0.00 0.10 0.00 0.00 34.13 30.88 1pe1 s GLU 1222CO -0.02 0.58 0.26 -0.08 0.02 0.00 0.00 175.26 176.01 1pe1 s THR 1223N -1.09 0.01 -0.02 3.63 -1.32 -0.30 -1.11 115.64 115.44 1pe1 s THR 1223Ca 0.34 -0.12 -0.03 0.00 -1.21 0.00 0.00 61.69 60.67 1pe1 s THR 1223Cb -0.22 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 1pe1 s THR 1223CO 0.24 -0.06 0.08 -2.28 -2.21 0.00 0.00 174.62 170.39 1pe1 s HIS 1224N -0.16 -0.04 0.37 9.09 5.04 -0.64 -2.54 115.29 126.40 1pe1 s HIS 1224Ca -0.03 0.11 0.10 0.00 -1.54 0.00 0.00 55.06 53.70 1pe1 s HIS 1224Cb -0.03 0.00 0.85 0.00 0.04 0.00 0.00 32.58 33.44 1pe1 s HIS 1224CO 0.01 -0.09 1.89 -1.35 -2.34 0.00 0.00 174.74 172.86 1pe1 h PRO 1225N 5.65 0.63 -2.34 2.88 0.11 -1.95 -1.48 132.00 135.49 1pe1 h PRO 1225Ca -0.26 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.26 1pe1 h PRO 1225Cb 1.20 -0.14 -0.37 0.00 0.11 0.00 0.00 31.00 31.80 1pe1 h PRO 1225CO 0.44 0.42 -0.90 -1.21 -0.21 0.00 0.00 178.00 176.54 1pe1 s GLU 1226N -5.62 0.78 0.30 1.05 2.02 -1.26 -4.41 118.70 111.56 1pe1 s GLU 1226Ca -0.09 -1.75 0.05 0.00 0.02 0.00 0.00 54.97 53.19 1pe1 s GLU 1226Cb 0.21 -1.27 0.80 0.00 0.10 0.00 0.00 34.13 33.97 1pe1 s GLU 1226CO 0.78 -1.32 1.64 -1.35 0.02 0.00 0.00 175.26 175.03 1pe1 h PRO 1227N 6.11 0.18 -0.08 0.39 0.11 -1.85 -1.33 132.00 135.53 1pe1 h PRO 1227Ca 0.18 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.30 1pe1 h PRO 1227Cb 0.95 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1pe1 h PRO 1227CO 0.31 0.12 0.11 1.05 -0.21 0.00 0.00 178.00 179.38 1pe1 h GLU 1228N 0.19 0.00 -0.01 1.05 4.11 -1.93 0.12 114.58 118.10 1pe1 h GLU 1228Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 1pe1 h GLU 1228Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1pe1 h GLU 1228CO -0.69 0.00 -0.43 1.63 0.07 0.00 0.00 179.01 179.59 1pe1 n LYS 1229N -3.58 0.99 -1.36 1.06 5.02 -0.51 -4.99 118.16 114.80 1pe1 n LYS 1229Ca -0.01 -0.75 -0.35 0.00 -2.02 0.00 0.00 58.31 55.18 1pe1 n LYS 1229Cb 0.21 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 33.83 1pe1 n LYS 1229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pe1 n ALA 1230N -0.35 0.20 1.02 7.82 0.00 0.42 -4.93 120.51 124.68 1pe1 n ALA 1230Ca 0.10 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1pe1 n ALA 1230Cb 0.42 -2.22 0.27 0.00 0.00 0.00 0.00 19.45 17.91 1pe1 n ALA 1230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pe1 n LEU 1231N -2.34 0.53 -3.73 0.00 4.77 -1.26 -4.63 117.00 110.33 1pe1 n LEU 1231Ca 0.14 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1pe1 n LEU 1231Cb 0.49 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1pe1 n LEU 1231CO 0.48 0.13 0.09 -0.94 -1.33 0.00 0.00 177.39 175.81 1pe1 s SER 1232N -2.96 -0.37 -1.45 -1.43 1.04 -1.26 -4.42 113.70 102.85 1pe1 s SER 1232Ca 0.12 0.60 -0.10 0.00 0.48 0.00 0.00 55.95 57.06 1pe1 s SER 1232Cb 0.18 0.67 0.05 0.00 0.10 0.00 0.00 66.02 67.02 1pe1 s SER 1232CO 0.68 -0.26 0.93 0.47 0.98 0.00 0.00 173.24 176.05 1pe1 n ASP 1233N 2.29 -3.99 -0.11 7.02 8.00 -1.26 -4.85 116.55 123.65 1pe1 n ASP 1233Ca -0.16 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1pe1 n ASP 1233Cb 0.57 -4.07 0.29 0.00 -0.02 0.00 0.00 41.12 37.89 1pe1 n ASP 1233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pe1 h ALA 1234N 0.95 1.45 -0.01 2.24 0.00 -1.82 -1.25 119.26 120.82 1pe1 h ALA 1234Ca -0.59 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1pe1 h ALA 1234Cb 1.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1pe1 h ALA 1234CO 0.63 0.44 -0.14 -1.13 0.00 0.00 0.00 179.25 179.06 1pe1 n SER 1235N -4.38 0.80 -0.00 0.00 3.41 -1.26 -4.12 113.62 108.06 1pe1 n SER 1235Ca 0.05 -0.85 0.01 0.00 -0.26 0.00 0.00 58.87 57.82 1pe1 n SER 1235Cb 0.12 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1pe1 n SER 1235CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1pe1 n THR 1236N -0.67 0.00 -2.04 6.66 -2.24 -1.02 -3.89 114.28 111.07 1pe1 n THR 1236Ca 0.15 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 1pe1 n THR 1236Cb 0.30 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 1pe1 n THR 1236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1pe1 s GLN 1237N -1.90 4.29 0.09 -0.78 -0.21 -0.50 -4.86 119.66 115.79 1pe1 s GLN 1237Ca -0.00 2.27 -0.30 0.00 0.02 0.00 0.00 55.36 57.35 1pe1 s GLN 1237Cb 0.02 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.87 1pe1 s GLN 1237CO 0.10 -0.35 1.01 -1.17 -2.12 0.00 0.00 175.29 172.76 1pe1 s LEU 1238N -0.77 4.45 0.20 2.90 2.96 -0.26 -4.73 118.68 123.42 1pe1 s LEU 1238Ca 0.56 1.83 -0.32 0.00 -0.22 0.00 0.00 54.13 55.98 1pe1 s LEU 1238Cb -0.41 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 42.57 1pe1 s LEU 1238CO 0.46 -0.18 1.63 -2.65 -1.32 0.00 0.00 176.35 174.29 1pe1 n PRO 1239N 3.12 2.48 -0.35 0.98 -0.02 -1.26 -1.63 135.00 138.32 1pe1 n PRO 1239Ca 0.04 0.89 0.16 0.00 -2.02 0.00 0.00 63.50 62.57 1pe1 n PRO 1239Cb 0.49 -2.69 0.37 0.00 -0.02 0.00 0.00 33.50 31.65 1pe1 n PRO 1239CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pe1 h LEU 1240N 6.05 0.71 -1.88 2.45 5.85 -1.47 -0.95 115.31 126.06 1pe1 h LEU 1240Ca -0.44 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1pe1 h LEU 1240Cb 1.23 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1pe1 h LEU 1240CO 0.90 0.18 0.00 0.77 -0.34 0.00 0.00 178.44 179.95 1pe1 h SER 1241N 0.65 0.00 0.68 1.25 4.64 -1.88 -2.20 113.55 116.69 1pe1 h SER 1241Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 1pe1 h SER 1241Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1pe1 h SER 1241CO -0.42 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 175.28 1pe1 n GLN 1242N -2.84 0.07 -0.05 4.77 6.02 -0.36 -4.39 117.38 120.60 1pe1 n GLN 1242Ca -0.01 -0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.85 1pe1 n GLN 1242Cb 0.17 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 1pe1 n GLN 1242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1pe1 h LEU 1243N 0.07 0.24 -0.73 1.08 5.85 -1.45 -2.53 115.31 117.84 1pe1 h LEU 1243Ca 0.00 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.67 1pe1 h LEU 1243Cb 0.49 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 1pe1 h LEU 1243CO 0.00 0.29 0.42 -0.08 -0.34 0.00 0.00 178.44 178.73 1pe1 h GLU 1244N 0.17 0.73 -0.27 1.25 4.81 -1.79 -1.44 114.58 118.04 1pe1 h GLU 1244Ca 0.06 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 1pe1 h GLU 1244Cb 0.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1pe1 h GLU 1244CO -0.01 0.48 -0.42 0.78 -0.73 0.00 0.00 179.01 179.12 1pe1 h GLY 1245N 0.75 0.73 0.96 1.92 0.00 -1.81 -0.98 103.07 104.63 1pe1 h GLY 1245Ca 0.33 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1pe1 h GLY 1245CO -0.19 0.67 0.20 -2.22 0.00 0.00 0.00 176.54 175.00 1pe1 h ILE 1246N 0.54 1.18 -0.50 2.60 1.08 -1.00 -1.86 117.51 119.56 1pe1 h ILE 1246Ca 0.04 -0.54 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 1pe1 h ILE 1246Cb 0.95 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 1pe1 h ILE 1246CO 0.09 0.20 0.28 0.40 -0.69 0.00 0.00 178.15 178.43 1pe1 h ILE 1247N 0.55 1.17 -0.63 -0.67 2.04 -1.16 -0.67 117.51 118.12 1pe1 h ILE 1247Ca 0.15 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1pe1 h ILE 1247Cb 0.14 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1pe1 h ILE 1247CO -0.02 0.17 0.39 -0.08 0.00 0.00 0.00 178.15 178.61 1pe1 h GLU 1248N 0.66 0.86 -0.71 2.37 4.57 -1.00 -1.81 114.58 119.52 1pe1 h GLU 1248Ca 0.18 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1pe1 h GLU 1248Cb 0.03 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 1pe1 h GLU 1248CO -0.03 0.61 0.40 0.00 -1.18 0.00 0.00 179.01 178.81 1pe1 h ALA 1249N 1.20 0.91 -0.06 2.92 0.00 -1.03 -1.52 119.26 121.68 1pe1 h ALA 1249Ca 0.23 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1pe1 h ALA 1249Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1pe1 h ALA 1249CO -0.04 0.41 -0.63 -0.84 0.00 0.00 0.00 179.25 178.15 1pe1 h ILE 1250N 0.97 1.40 -0.58 0.00 3.07 -0.70 -0.82 117.51 120.85 1pe1 h ILE 1250Ca 0.25 -2.05 -0.06 0.00 1.55 0.00 0.00 64.86 64.54 1pe1 h ILE 1250Cb 0.02 2.06 -0.03 0.00 -0.27 0.00 0.00 36.82 38.60 1pe1 h ILE 1250CO -0.04 0.61 0.11 -0.07 -1.05 0.00 0.00 178.15 177.70 1pe1 h LEU 1251N 0.17 0.87 -0.08 0.16 3.38 -1.15 0.33 115.31 118.99 1pe1 h LEU 1251Ca -0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1pe1 h LEU 1251Cb 1.15 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1pe1 h LEU 1251CO 0.10 0.87 -0.01 -0.33 0.09 0.00 0.00 178.44 179.15 1pe1 h GLU 1252N 0.88 0.14 -0.50 1.13 5.08 -0.80 -0.49 114.58 120.02 1pe1 h GLU 1252Ca 0.18 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1pe1 h GLU 1252Cb 0.36 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1pe1 h GLU 1252CO 0.01 0.46 0.06 0.82 -1.00 0.00 0.00 179.01 179.36 1pe1 h ILE 1253N -0.18 1.25 -0.40 3.13 2.04 -1.03 -2.43 117.51 119.89 1pe1 h ILE 1253Ca 0.02 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 64.98 1pe1 h ILE 1253Cb 0.40 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1pe1 h ILE 1253CO 0.01 0.34 0.06 -0.09 0.00 0.00 0.00 178.15 178.47 1pe1 h ARG 1254N 0.71 0.17 -0.18 2.37 2.43 -0.29 -0.57 114.38 119.03 1pe1 h ARG 1254Ca 0.15 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1pe1 h ARG 1254Cb 0.42 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1pe1 h ARG 1254CO 0.01 0.12 0.02 1.49 -1.51 0.00 0.00 179.97 180.10 1pe1 h GLU 1255N 0.18 0.09 -0.06 0.20 4.57 -0.86 0.86 114.58 119.56 1pe1 h GLU 1255Ca 0.19 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.25 1pe1 h GLU 1255Cb 0.25 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1pe1 h GLU 1255CO -0.27 0.06 -0.50 -0.24 -1.18 0.00 0.00 179.01 176.87 1pe1 h VAL 1256N 0.09 1.35 0.00 0.32 3.04 -1.27 -3.04 116.25 116.75 1pe1 h VAL 1256Ca 0.08 -1.74 -0.10 0.00 -1.01 0.00 0.00 66.70 63.93 1pe1 h VAL 1256Cb 0.08 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1pe1 h VAL 1256CO -0.12 0.51 -0.50 0.00 -1.01 0.00 0.00 177.57 176.46 1pe1 h ALA 1257N 1.36 0.69 -0.86 3.17 0.00 -0.75 -3.39 119.26 119.48 1pe1 h ALA 1257Ca 0.00 -0.44 0.19 0.00 0.00 0.00 0.00 54.91 54.67 1pe1 h ALA 1257Cb 0.93 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1pe1 h ALA 1257CO 0.07 0.60 0.58 0.66 0.00 0.00 0.00 179.25 181.15 1pe1 h SER 1258N 0.00 0.36 0.45 0.00 4.64 -0.71 0.18 113.55 118.48 1pe1 h SER 1258Ca -0.01 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1pe1 h SER 1258Cb 1.37 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1pe1 h SER 1258CO 0.06 0.15 0.00 2.29 -0.87 0.00 0.00 176.83 178.47 1pe1 n LYS 1259N -4.48 0.18 0.00 4.77 2.85 -1.26 -1.91 118.16 118.31 1pe1 n LYS 1259Ca 0.18 0.51 0.11 0.00 -1.05 0.00 0.00 58.31 58.06 1pe1 n LYS 1259Cb 0.68 -1.92 0.01 0.00 -0.65 0.00 0.00 35.03 33.16 1pe1 n LYS 1259CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1pe1 n TYR 1260N -2.27 0.00 -1.73 5.58 4.02 0.62 -4.96 117.16 118.42 1pe1 n TYR 1260Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1pe1 n TYR 1260Cb 0.16 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.45 1pe1 n TYR 1260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1pe1 s TYR 1261N -2.39 2.83 0.55 -0.72 4.12 -0.80 -4.95 117.35 115.98 1pe1 s TYR 1261Ca 0.20 0.51 -0.16 0.00 0.02 0.00 0.00 57.07 57.64 1pe1 s TYR 1261Cb 0.18 -4.13 -0.06 0.00 -1.52 0.00 0.00 41.96 36.44 1pe1 s TYR 1261CO 0.52 -4.07 1.02 -1.21 0.02 0.00 0.00 175.55 171.83 1pe1 s GLU 1262N 0.46 3.66 -0.17 -0.62 8.01 -1.26 -5.03 118.70 123.75 1pe1 s GLU 1262Ca 0.70 1.08 -0.24 0.00 0.01 0.00 0.00 54.97 56.52 1pe1 s GLU 1262Cb -0.49 -2.09 -0.02 0.00 -4.31 0.00 0.00 34.13 27.22 1pe1 s GLU 1262CO 0.39 -0.52 0.78 0.99 0.01 0.00 0.00 175.26 176.91 1pe1 s THR 1263N -2.53 4.92 -2.00 3.63 2.01 -1.26 -5.17 115.64 115.25 1pe1 s THR 1263Ca 0.61 1.52 0.08 0.00 0.31 0.00 0.00 61.69 64.21 1pe1 s THR 1263Cb -0.13 -4.09 0.22 0.00 0.01 0.00 0.00 72.50 68.51 1pe1 s THR 1263CO 0.33 0.06 0.91 2.30 -0.69 0.00 0.00 174.62 177.54