#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iv3 s ILE 1003N 0.00 1.29 0.05 0.55 2.07 -1.26 -0.92 121.20 122.98 1iv3 s ILE 1003Ca 0.00 -1.20 0.03 0.00 -1.41 0.00 0.00 60.65 58.08 1iv3 s ILE 1003Cb 0.00 -1.18 -0.02 0.00 0.13 0.00 0.00 42.46 41.39 1iv3 s ILE 1003CO 0.00 -0.04 -0.11 -0.83 -1.91 0.00 0.00 174.94 172.05 1iv3 s GLY 1004N -1.43 0.64 -0.02 1.50 0.00 -0.52 -4.25 107.32 103.25 1iv3 s GLY 1004Ca 0.02 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.96 1iv3 s GLY 1004CO 0.02 -0.83 -0.07 -0.47 0.00 0.00 0.00 173.10 171.75 1iv3 s TYR 1005N -1.17 0.72 0.06 1.90 5.04 -1.26 -1.05 117.35 121.60 1iv3 s TYR 1005Ca -0.05 -0.16 -0.08 0.00 -2.44 0.00 0.00 57.07 54.35 1iv3 s TYR 1005Cb -0.09 -0.51 -0.01 0.00 0.35 0.00 0.00 41.96 41.70 1iv3 s TYR 1005CO 0.01 -0.06 0.15 0.20 -1.34 0.00 0.00 175.55 174.51 1iv3 s GLY 1006N 0.13 0.13 0.07 8.97 0.00 -0.19 -4.31 107.32 112.12 1iv3 s GLY 1006Ca -0.01 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1iv3 s GLY 1006CO -0.00 -0.75 -0.10 -0.54 0.00 0.00 0.00 173.10 171.71 1iv3 s GLU 1007N -3.35 0.74 0.00 2.90 2.02 -1.26 -1.01 118.70 118.74 1iv3 s GLU 1007Ca 0.01 -1.01 -0.21 0.00 0.02 0.00 0.00 54.97 53.79 1iv3 s GLU 1007Cb 0.03 -0.49 0.04 0.00 0.10 0.00 0.00 34.13 33.81 1iv3 s GLU 1007CO -0.08 0.08 0.45 0.34 0.02 0.00 0.00 175.26 176.08 1iv3 s ASP 1008N -2.08 -0.36 0.02 -0.19 2.15 0.36 -4.49 116.67 112.08 1iv3 s ASP 1008Ca -0.00 0.23 -0.07 0.00 0.43 0.00 0.00 52.55 53.13 1iv3 s ASP 1008Cb -0.06 0.42 -0.00 0.00 -0.30 0.00 0.00 42.92 42.98 1iv3 s ASP 1008CO 0.00 -0.58 0.13 -0.94 -0.17 0.00 0.00 175.17 173.61 1iv3 s SER 1009N -1.56 0.07 -0.03 -0.34 1.04 -1.26 0.18 113.70 111.80 1iv3 s SER 1009Ca -0.10 -0.32 -0.10 0.00 0.48 0.00 0.00 55.95 55.92 1iv3 s SER 1009Cb -0.02 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1iv3 s SER 1009CO 0.03 -0.43 0.22 -1.00 0.98 0.00 0.00 173.24 173.04 1iv3 s HIS 1010N -1.87 -0.12 0.31 5.02 3.76 -0.39 -4.98 115.29 117.02 1iv3 s HIS 1010Ca -0.11 0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.73 1iv3 s HIS 1010Cb -0.05 0.04 -0.10 0.00 1.11 0.00 0.00 32.58 33.57 1iv3 s HIS 1010CO -0.01 -0.27 1.41 0.50 -0.85 0.00 0.00 174.74 175.52 1iv3 s ARG 1011N -0.89 4.26 -0.13 1.40 3.52 -1.26 -0.87 118.95 124.97 1iv3 s ARG 1011Ca -0.10 2.34 -0.11 0.00 -0.13 0.00 0.00 55.73 57.74 1iv3 s ARG 1011Cb -0.05 -3.06 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 1iv3 s ARG 1011CO 0.02 -0.36 0.21 -0.51 -0.81 0.00 0.00 175.30 173.85 1iv3 s LEU 1012N -1.30 4.32 0.02 -0.88 1.43 0.16 -0.12 118.68 122.31 1iv3 s LEU 1012Ca 0.54 0.49 0.06 0.00 -1.03 0.00 0.00 54.13 54.19 1iv3 s LEU 1012Cb -0.42 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 1iv3 s LEU 1012CO 0.52 0.26 -0.18 -1.61 0.23 0.00 0.00 176.35 175.57 1iv3 s GLU 1013N -0.30 1.28 0.48 1.70 8.01 0.35 -4.82 118.70 125.40 1iv3 s GLU 1013Ca 0.15 -0.79 -0.24 0.00 0.01 0.00 0.00 54.97 54.10 1iv3 s GLU 1013Cb -0.13 -1.32 -0.07 0.00 -4.31 0.00 0.00 34.13 28.30 1iv3 s GLU 1013CO 0.04 0.34 1.39 0.39 0.01 0.00 0.00 175.26 177.43 1iv3 n GLU 1014N 2.13 2.01 -0.02 1.61 -0.58 -1.26 -0.22 120.64 124.32 1iv3 n GLU 1014Ca -0.17 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 1iv3 n GLU 1014Cb 0.54 -2.59 0.00 0.00 -0.57 0.00 0.00 31.44 28.82 1iv3 n GLU 1014CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iv3 n GLY 1015N 0.67 2.59 3.88 0.62 0.00 -0.18 -4.83 105.19 107.94 1iv3 n GLY 1015Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1iv3 n GLY 1015CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iv3 s ARG 1016N -0.12 3.65 0.33 1.61 0.52 -1.14 -4.97 118.95 118.83 1iv3 s ARG 1016Ca 0.00 -0.00 -0.28 0.00 -0.52 0.00 0.00 55.73 54.92 1iv3 s ARG 1016Cb 0.00 -3.00 -0.10 0.00 0.52 0.00 0.00 34.95 32.37 1iv3 s ARG 1016CO 0.00 0.58 1.25 -1.25 0.02 0.00 0.00 175.30 175.91 1iv3 s PRO 1017N -2.01 4.36 -0.24 3.54 0.04 -1.26 -2.16 135.00 137.26 1iv3 s PRO 1017Ca 0.32 2.10 -0.09 0.00 0.04 0.00 0.00 61.00 63.37 1iv3 s PRO 1017Cb -0.13 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1iv3 s PRO 1017CO 0.19 -0.14 0.13 -1.17 0.04 0.00 0.00 177.00 176.05 1iv3 s LEU 1018N -1.83 3.87 -0.16 -3.56 2.96 -1.26 -3.36 118.68 115.34 1iv3 s LEU 1018Ca 0.49 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1iv3 s LEU 1018Cb -0.37 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.28 1iv3 s LEU 1018CO 0.49 0.03 -0.16 -0.31 -1.32 0.00 0.00 176.35 175.07 1iv3 s TYR 1019N 1.28 2.77 -0.03 5.38 2.02 -1.26 0.54 117.35 128.05 1iv3 s TYR 1019Ca 0.06 -1.16 -0.01 0.00 -0.37 0.00 0.00 57.07 55.59 1iv3 s TYR 1019Cb -0.14 -1.89 0.02 0.00 -0.40 0.00 0.00 41.96 39.54 1iv3 s TYR 1019CO 0.05 -0.54 0.06 -0.51 -1.57 0.00 0.00 175.55 173.05 1iv3 s LEU 1020N 0.91 1.36 -1.60 -1.29 1.43 -0.27 -4.04 118.68 115.18 1iv3 s LEU 1020Ca -0.04 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1iv3 s LEU 1020Cb -0.15 0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.21 1iv3 s LEU 1020CO -0.02 -0.08 0.00 0.00 0.23 0.00 0.00 176.35 176.48 1iv3 n GLY 1022N -0.76 0.82 3.75 0.00 0.00 -1.26 -4.48 105.19 103.26 1iv3 n GLY 1022Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1iv3 n GLY 1022CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iv3 s LEU 1023N 0.00 3.75 0.02 0.99 1.43 0.03 -5.04 118.68 119.86 1iv3 s LEU 1023Ca 0.00 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 1iv3 s LEU 1023Cb 0.00 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 1iv3 s LEU 1023CO 0.00 0.25 1.28 -0.22 0.23 0.00 0.00 176.35 177.89 1iv3 s LEU 1024N -1.84 4.33 -0.21 1.79 1.98 -1.26 -1.11 118.68 122.36 1iv3 s LEU 1024Ca 0.23 2.03 -0.03 0.00 -2.89 0.00 0.00 54.13 53.47 1iv3 s LEU 1024Cb -0.12 -3.57 -0.00 0.00 0.66 0.00 0.00 46.19 43.16 1iv3 s LEU 1024CO 0.15 -0.59 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.31 1iv3 s ILE 1025N 1.73 3.07 0.23 6.68 -1.09 0.19 -4.95 121.20 127.06 1iv3 s ILE 1025Ca 0.60 -0.60 -0.32 0.00 -2.23 0.00 0.00 60.65 58.11 1iv3 s ILE 1025Cb -0.30 -2.37 -0.13 0.00 -1.58 0.00 0.00 42.46 38.08 1iv3 s ILE 1025CO 0.27 0.45 1.51 -2.65 -1.23 0.00 0.00 174.94 173.30 1iv3 n PRO 1026N 4.68 2.28 -3.61 2.79 -0.02 -1.26 -4.23 135.00 135.63 1iv3 n PRO 1026Ca -0.19 0.82 -0.08 0.00 -2.02 0.00 0.00 63.50 62.03 1iv3 n PRO 1026Cb 0.51 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.39 1iv3 n PRO 1026CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1iv3 s SER 1027N 0.54 -0.28 0.46 2.55 0.15 -1.26 -4.89 113.70 110.96 1iv3 s SER 1027Ca 0.70 0.38 0.29 0.00 0.70 0.00 0.00 55.95 58.02 1iv3 s SER 1027Cb -0.61 0.33 1.06 0.00 -1.71 0.00 0.00 66.02 65.09 1iv3 s SER 1027CO 0.46 -0.21 1.85 1.55 1.20 0.00 0.00 173.24 178.08 1iv3 h PRO 1028N 2.79 0.00 -4.50 5.44 0.13 -1.91 -3.45 132.00 130.50 1iv3 h PRO 1028Ca -0.19 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.74 1iv3 h PRO 1028Cb 1.17 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1iv3 h PRO 1028CO 0.24 0.00 -0.70 0.14 -0.23 0.00 0.00 178.00 177.45 1iv3 s VAL 1029N -3.48 0.52 0.24 1.56 -7.23 -1.26 -1.01 120.40 109.75 1iv3 s VAL 1029Ca 0.04 -1.66 -0.18 0.00 -1.81 0.00 0.00 61.98 58.36 1iv3 s VAL 1029Cb 0.08 -1.33 0.02 0.00 0.56 0.00 0.00 36.38 35.71 1iv3 s VAL 1029CO 0.55 -0.77 0.60 -0.83 -0.31 0.00 0.00 175.10 174.34 1iv3 s GLY 1030N -2.61 0.04 0.46 2.32 0.00 0.70 -4.19 107.32 104.04 1iv3 s GLY 1030Ca 0.04 -0.39 -0.23 0.00 0.00 0.00 0.00 44.72 44.14 1iv3 s GLY 1030CO -0.05 -0.25 1.15 0.00 0.00 0.00 0.00 173.10 173.95 1iv3 s ALA 1031N -3.92 2.98 -0.67 3.20 0.00 -1.21 0.13 121.76 122.26 1iv3 s ALA 1031Ca 0.13 0.90 -0.17 0.00 0.00 0.00 0.00 51.96 52.82 1iv3 s ALA 1031Cb -0.03 -3.37 0.14 0.00 0.00 0.00 0.00 23.12 19.86 1iv3 s ALA 1031CO 0.04 -0.61 0.71 -1.17 0.00 0.00 0.00 175.76 174.73 1iv3 s LEU 1032N -3.01 5.89 0.08 0.00 2.96 0.82 -4.69 118.68 120.73 1iv3 s LEU 1032Ca 0.63 -1.89 -0.25 0.00 -0.22 0.00 0.00 54.13 52.40 1iv3 s LEU 1032Cb -0.28 -2.27 0.07 0.00 0.50 0.00 0.00 46.19 44.22 1iv3 s LEU 1032CO 0.33 -0.92 0.62 0.00 -1.32 0.00 0.00 176.35 175.07 1iv3 s ALA 1033N 1.81 -1.63 -0.21 5.97 0.00 -1.26 -4.48 121.76 121.96 1iv3 s ALA 1033Ca 0.13 0.76 0.28 0.00 0.00 0.00 0.00 51.96 53.13 1iv3 s ALA 1033Cb -0.20 0.57 1.20 0.00 0.00 0.00 0.00 23.12 24.69 1iv3 s ALA 1033CO 0.00 -0.62 1.83 0.45 0.00 0.00 0.00 175.76 177.42 1iv3 h HIS 1034N 2.37 0.00 -3.97 0.00 3.86 -2.03 -3.44 115.15 111.95 1iv3 h HIS 1034Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 1iv3 h HIS 1034Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1iv3 h HIS 1034CO 0.29 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.95 1iv3 n SER 1035N -2.57 0.46 -0.15 2.45 3.41 -1.26 -4.81 113.62 111.15 1iv3 n SER 1035Ca 0.01 -0.97 0.10 0.00 -0.26 0.00 0.00 58.87 57.75 1iv3 n SER 1035Cb 0.23 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.70 1iv3 n SER 1035CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iv3 n ASP 1036N -2.46 0.46 -1.36 4.04 3.85 -1.26 -4.91 116.55 114.91 1iv3 n ASP 1036Ca 0.00 -1.48 -0.17 0.00 -0.71 0.00 0.00 54.79 52.43 1iv3 n ASP 1036Cb 0.00 -0.03 -0.07 0.00 -1.35 0.00 0.00 41.12 39.68 1iv3 n ASP 1036CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iv3 n GLY 1037N 0.89 1.54 3.56 6.12 0.00 -1.26 -4.43 105.19 111.60 1iv3 n GLY 1037Ca 0.15 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1iv3 n GLY 1037CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iv3 s ASP 1038N -2.77 5.87 0.38 1.61 -1.08 -1.26 -4.79 116.67 114.63 1iv3 s ASP 1038Ca 0.00 -1.02 0.05 0.00 -0.52 0.00 0.00 52.55 51.05 1iv3 s ASP 1038Cb 0.00 -2.56 0.74 0.00 -1.46 0.00 0.00 42.92 39.64 1iv3 s ASP 1038CO 0.00 -2.07 2.02 0.00 0.52 0.00 0.00 175.17 175.64 1iv3 h ALA 1039N 10.61 1.64 -0.06 3.66 0.00 -1.90 -1.41 119.26 131.79 1iv3 h ALA 1039Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1iv3 h ALA 1039Cb 1.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1iv3 h ALA 1039CO 1.32 0.32 0.00 0.00 0.00 0.00 0.00 179.25 180.90 1iv3 h ALA 1040N 1.66 0.09 -0.71 0.00 0.00 -1.87 -0.68 119.26 117.74 1iv3 h ALA 1040Ca 0.22 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1iv3 h ALA 1040Cb -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1iv3 h ALA 1040CO -0.05 -0.25 0.42 0.52 0.00 0.00 0.00 179.25 179.90 1iv3 h MET 1041N -0.16 0.78 -0.27 0.00 2.86 -1.83 -1.45 114.93 114.86 1iv3 h MET 1041Ca 0.02 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1iv3 h MET 1041Cb 0.32 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1iv3 h MET 1041CO 0.00 0.51 -0.23 0.45 1.06 0.00 0.00 176.91 178.70 1iv3 h HIS 1042N 0.80 0.75 -0.42 -0.22 3.86 -1.07 -1.08 115.15 117.78 1iv3 h HIS 1042Ca 0.31 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1iv3 h HIS 1042Cb 0.12 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1iv3 h HIS 1042CO -0.06 0.93 0.26 0.00 0.86 0.00 0.00 177.93 179.93 1iv3 h ALA 1043N 0.70 0.53 -0.89 2.45 0.00 -0.90 0.59 119.26 121.74 1iv3 h ALA 1043Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1iv3 h ALA 1043Cb 0.79 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1iv3 h ALA 1043CO 0.06 0.01 0.47 -0.07 0.00 0.00 0.00 179.25 179.72 1iv3 h LEU 1044N 0.56 1.13 -0.08 0.00 3.38 -1.21 0.46 115.31 119.55 1iv3 h LEU 1044Ca 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1iv3 h LEU 1044Cb -0.03 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1iv3 h LEU 1044CO -0.03 0.91 0.02 0.74 0.09 0.00 0.00 178.44 180.17 1iv3 h THR 1045N 1.25 1.21 -0.99 0.22 2.02 -0.79 -0.67 112.91 115.16 1iv3 h THR 1045Ca 0.31 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1iv3 h THR 1045Cb 0.05 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1iv3 h THR 1045CO -0.05 0.18 0.66 0.44 0.37 0.00 0.00 175.52 177.12 1iv3 h ASP 1046N -0.09 1.13 -0.69 4.18 3.32 -0.70 -1.23 116.42 122.35 1iv3 h ASP 1046Ca 0.03 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1iv3 h ASP 1046Cb 0.27 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1iv3 h ASP 1046CO 0.00 0.82 0.34 0.00 -1.72 0.00 0.00 179.24 178.67 1iv3 h ALA 1047N 1.37 0.88 -0.46 3.45 0.00 -0.50 0.11 119.26 124.11 1iv3 h ALA 1047Ca 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1iv3 h ALA 1047Cb -0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1iv3 h ALA 1047CO -0.08 0.44 0.18 -0.07 0.00 0.00 0.00 179.25 179.72 1iv3 h LEU 1048N 0.95 0.63 -0.36 0.00 3.38 -0.65 -2.15 115.31 117.10 1iv3 h LEU 1048Ca 0.24 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1iv3 h LEU 1048Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1iv3 h LEU 1048CO -0.03 0.62 0.07 -0.07 0.09 0.00 0.00 178.44 179.12 1iv3 h LEU 1049N 0.59 0.56 -1.42 1.67 3.38 -0.89 -2.75 115.31 116.46 1iv3 h LEU 1049Ca 0.15 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 57.97 1iv3 h LEU 1049Cb 0.19 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1iv3 h LEU 1049CO -0.01 0.67 0.49 -1.28 0.09 0.00 0.00 178.44 178.40 1iv3 h SER 1050N 0.43 0.58 0.25 -0.43 0.87 -0.66 -0.87 113.55 113.73 1iv3 h SER 1050Ca 0.11 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1iv3 h SER 1050Cb 0.34 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1iv3 h SER 1050CO 0.00 0.34 0.00 0.00 -0.53 0.00 0.00 176.83 176.65 1iv3 h ALA 1051N 1.62 1.00 0.00 6.23 0.00 -1.07 -1.35 119.26 125.70 1iv3 h ALA 1051Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1iv3 h ALA 1051Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1iv3 h ALA 1051CO -0.13 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.78 1iv3 n TYR 1052N -2.64 0.00 -2.48 0.00 4.02 -0.71 -4.72 117.16 110.63 1iv3 n TYR 1052Ca -0.01 -0.36 -0.18 0.00 -0.01 0.00 0.00 57.90 57.34 1iv3 n TYR 1052Cb 0.11 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1iv3 n TYR 1052CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iv3 n GLY 1053N -0.36 -0.36 0.07 2.72 0.00 -0.51 -4.88 105.19 101.88 1iv3 n GLY 1053Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.06 1iv3 n GLY 1053CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iv3 n LEU 1054N -2.78 0.30 0.00 0.99 4.77 -0.41 -4.99 117.00 114.87 1iv3 n LEU 1054Ca -0.18 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1iv3 n LEU 1054Cb 0.65 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1iv3 n LEU 1054CO 0.28 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1iv3 n GLY 1055N 1.27 0.17 3.57 -0.72 0.00 -1.26 -4.95 105.19 103.26 1iv3 n GLY 1055Ca 0.15 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 1iv3 n GLY 1055CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iv3 s ASP 1056N -4.00 0.56 0.40 1.61 1.47 -1.26 -4.11 116.67 111.34 1iv3 s ASP 1056Ca 0.00 -1.32 0.19 0.00 1.18 0.00 0.00 52.55 52.60 1iv3 s ASP 1056Cb 0.00 0.68 0.85 0.00 -0.34 0.00 0.00 42.92 44.11 1iv3 s ASP 1056CO 0.00 -1.34 1.83 0.16 0.68 0.00 0.00 175.17 176.50 1iv3 h ILE 1057N 2.12 0.92 -0.27 2.11 3.07 -1.93 -0.02 117.51 123.52 1iv3 h ILE 1057Ca -0.29 -1.26 -0.10 0.00 1.55 0.00 0.00 64.86 64.77 1iv3 h ILE 1057Cb 1.24 1.74 -0.01 0.00 -0.27 0.00 0.00 36.82 39.53 1iv3 h ILE 1057CO 0.39 0.32 -0.27 1.23 -1.05 0.00 0.00 178.15 178.76 1iv3 h GLY 1058N 1.56 0.57 0.58 0.16 0.00 -1.97 0.18 103.07 104.14 1iv3 h GLY 1058Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1iv3 h GLY 1058CO 0.04 0.44 -0.30 -2.00 0.00 0.00 0.00 176.54 174.72 1iv3 h LEU 1059N 0.46 0.31 0.00 3.11 5.85 -1.78 -3.36 115.31 119.91 1iv3 h LEU 1059Ca 0.06 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1iv3 h LEU 1059Cb 0.71 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1iv3 h LEU 1059CO 0.05 0.98 -1.32 0.18 -0.34 0.00 0.00 178.44 178.00 1iv3 n LEU 1060N -4.46 0.57 -2.80 2.25 4.77 -0.09 -4.43 117.00 112.80 1iv3 n LEU 1060Ca -0.09 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 55.86 1iv3 n LEU 1060Cb 0.51 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1iv3 n LEU 1060CO 0.41 -0.12 0.07 0.49 -1.33 0.00 0.00 177.39 176.91 1iv3 n PHE 1061N -2.51 2.94 -2.35 -1.77 3.72 0.04 -5.06 117.46 112.47 1iv3 n PHE 1061Ca -0.01 -3.56 -0.32 0.00 -0.05 0.00 0.00 57.45 53.50 1iv3 n PHE 1061Cb 0.55 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1iv3 n PHE 1061CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1iv3 s PRO 1062N -3.30 3.81 0.00 -1.08 0.04 -1.26 -4.83 135.00 128.39 1iv3 s PRO 1062Ca 0.45 1.04 0.21 0.00 0.04 0.00 0.00 61.00 62.75 1iv3 s PRO 1062Cb 0.35 -2.11 1.02 0.00 0.04 0.00 0.00 34.50 33.80 1iv3 s PRO 1062CO -0.13 -0.39 1.68 -0.40 0.04 0.00 0.00 177.00 177.81 1iv3 n ASP 1063N -1.59 0.00 0.28 6.66 5.75 -1.26 -1.31 116.55 125.08 1iv3 n ASP 1063Ca 0.07 0.16 0.15 0.00 -0.01 0.00 0.00 54.79 55.16 1iv3 n ASP 1063Cb 0.54 -0.36 0.85 0.00 -1.03 0.00 0.00 41.12 41.11 1iv3 n ASP 1063CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1iv3 h THR 1064N 0.00 0.49 -3.73 2.12 1.35 -2.00 -3.42 112.91 107.73 1iv3 h THR 1064Ca 0.00 -0.26 -0.65 0.00 -0.55 0.00 0.00 66.41 64.95 1iv3 h THR 1064Cb 0.26 1.17 -0.16 0.00 -1.73 0.00 0.00 68.15 67.69 1iv3 h THR 1064CO 0.00 0.06 -0.32 -0.62 -0.25 0.00 0.00 175.52 174.39 1iv3 s ASP 1065N -6.07 6.17 0.66 5.36 -1.08 -0.43 -4.93 116.67 116.36 1iv3 s ASP 1065Ca -0.04 -0.03 0.32 0.00 -0.52 0.00 0.00 52.55 52.28 1iv3 s ASP 1065Cb 0.14 -2.19 1.76 0.00 -1.46 0.00 0.00 42.92 41.17 1iv3 s ASP 1065CO 0.55 -0.24 2.00 1.55 0.52 0.00 0.00 175.17 179.56 1iv3 h PRO 1066N 8.36 0.00 0.00 4.34 0.13 -1.87 0.33 132.00 143.29 1iv3 h PRO 1066Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1iv3 h PRO 1066Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1iv3 h PRO 1066CO 0.65 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.27 1iv3 h ARG 1067N 0.00 0.00 0.00 0.86 3.08 -1.93 -3.31 114.38 113.09 1iv3 h ARG 1067Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1iv3 h ARG 1067Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1iv3 h ARG 1067CO -0.00 0.00 -1.65 0.91 -1.07 0.00 0.00 179.97 178.16 1iv3 n TRP 1068N -2.26 0.00 -1.69 3.04 5.03 0.10 -4.85 117.44 116.80 1iv3 n TRP 1068Ca 0.05 0.00 -0.51 0.00 3.03 0.00 0.00 57.50 60.07 1iv3 n TRP 1068Cb 0.44 -0.39 -0.06 0.00 -1.03 0.00 0.00 31.31 30.27 1iv3 n TRP 1068CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 1iv3 n ARG 1069N -2.11 1.83 -0.94 -0.99 0.63 -0.41 -0.73 116.66 113.93 1iv3 n ARG 1069Ca -0.08 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 1iv3 n ARG 1069Cb 0.53 -2.46 0.00 0.00 0.45 0.00 0.00 32.46 30.98 1iv3 n ARG 1069CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1iv3 n GLY 1070N 4.32 0.83 3.85 5.14 0.00 -1.26 -5.00 105.19 113.07 1iv3 n GLY 1070Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1iv3 n GLY 1070CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iv3 s GLU 1071N -0.14 3.63 0.42 1.61 0.41 0.10 -5.00 118.70 119.73 1iv3 s GLU 1071Ca 0.00 0.88 -0.26 0.00 -0.41 0.00 0.00 54.97 55.18 1iv3 s GLU 1071Cb 0.00 -2.09 -0.09 0.00 -1.78 0.00 0.00 34.13 30.17 1iv3 s GLU 1071CO 0.00 -0.54 1.45 0.54 -0.49 0.00 0.00 175.26 176.22 1iv3 n ARG 1072N -2.31 2.41 0.32 1.61 1.74 -1.26 -4.73 116.66 114.44 1iv3 n ARG 1072Ca 0.07 0.85 0.20 0.00 -0.77 0.00 0.00 57.85 58.20 1iv3 n ARG 1072Cb 0.54 -2.64 1.11 0.00 -1.02 0.00 0.00 32.46 30.45 1iv3 n ARG 1072CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1iv3 h SER 1073N 2.54 0.00 0.36 0.55 0.02 -1.96 0.31 113.55 115.38 1iv3 h SER 1073Ca -0.51 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 1iv3 h SER 1073Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1iv3 h SER 1073CO 0.62 0.00 -0.18 -0.08 -1.14 0.00 0.00 176.83 176.06 1iv3 h GLU 1074N 0.00 0.00 -0.52 3.45 4.81 -1.96 -1.58 114.58 118.78 1iv3 h GLU 1074Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1iv3 h GLU 1074Cb 0.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1iv3 h GLU 1074CO -0.00 0.18 0.16 0.28 -0.73 0.00 0.00 179.01 178.89 1iv3 h VAL 1075N 0.00 1.21 -0.27 0.32 2.07 -1.29 -0.50 116.25 117.79 1iv3 h VAL 1075Ca -0.00 -0.72 -0.15 0.00 0.82 0.00 0.00 66.70 66.65 1iv3 h VAL 1075Cb 0.40 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1iv3 h VAL 1075CO 0.02 0.27 -0.43 -0.26 0.02 0.00 0.00 177.57 177.20 1iv3 h PHE 1076N 0.76 0.95 -0.40 1.57 0.04 -1.43 -1.73 116.94 116.70 1iv3 h PHE 1076Ca 0.17 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1iv3 h PHE 1076Cb 0.23 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1iv3 h PHE 1076CO 0.01 1.11 0.25 1.25 -0.60 0.00 0.00 178.31 180.34 1iv3 h LEU 1077N 0.52 0.47 -1.27 1.54 5.85 -1.14 -0.08 115.31 121.20 1iv3 h LEU 1077Ca 0.02 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1iv3 h LEU 1077Cb 1.02 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1iv3 h LEU 1077CO 0.10 0.36 0.07 0.03 -0.34 0.00 0.00 178.44 178.66 1iv3 h ARG 1078N 0.53 0.57 -0.29 1.25 3.08 -0.98 0.11 114.38 118.64 1iv3 h ARG 1078Ca 0.14 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1iv3 h ARG 1078Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1iv3 h ARG 1078CO -0.03 0.54 -0.07 1.49 -1.07 0.00 0.00 179.97 180.83 1iv3 h GLU 1079N 0.55 0.57 -0.88 0.04 4.57 -0.86 0.34 114.58 118.90 1iv3 h GLU 1079Ca 0.13 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1iv3 h GLU 1079Cb 0.25 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 1iv3 h GLU 1079CO 0.00 0.76 0.57 0.00 -1.18 0.00 0.00 179.01 179.16 1iv3 h ALA 1080N 0.79 1.16 -0.71 2.92 0.00 -0.58 -0.37 119.26 122.46 1iv3 h ALA 1080Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1iv3 h ALA 1080Cb 0.55 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1iv3 h ALA 1080CO 0.03 0.42 0.37 0.52 0.00 0.00 0.00 179.25 180.59 1iv3 h MET 1081N 1.11 1.01 -0.39 0.00 2.86 -0.47 -1.51 114.93 117.54 1iv3 h MET 1081Ca 0.35 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1iv3 h MET 1081Cb -0.00 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.42 1iv3 h MET 1081CO -0.11 0.78 0.13 -0.09 1.06 0.00 0.00 176.91 178.68 1iv3 h ARG 1082N 0.99 0.28 -0.43 1.72 2.43 -0.05 -1.05 114.38 118.27 1iv3 h ARG 1082Ca 0.25 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1iv3 h ARG 1082Cb 0.08 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1iv3 h ARG 1082CO -0.04 0.19 0.02 -0.07 -1.51 0.00 0.00 179.97 178.57 1iv3 h LEU 1083N 0.29 0.73 -0.27 3.80 3.38 -0.84 -1.24 115.31 121.17 1iv3 h LEU 1083Ca 0.18 -0.29 -0.21 0.00 0.09 0.00 0.00 57.88 57.65 1iv3 h LEU 1083Cb 0.16 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1iv3 h LEU 1083CO -0.18 0.84 -0.87 -0.37 0.09 0.00 0.00 178.44 177.95 1iv3 h VAL 1084N 0.60 1.42 -0.69 1.22 -1.51 -1.12 -2.82 116.25 113.34 1iv3 h VAL 1084Ca 0.13 -2.40 0.04 0.00 -1.23 0.00 0.00 66.70 63.23 1iv3 h VAL 1084Cb 0.45 2.34 -0.05 0.00 -2.13 0.00 0.00 31.29 31.91 1iv3 h VAL 1084CO 0.02 0.71 0.42 -0.33 -1.23 0.00 0.00 177.57 177.16 1iv3 h GLU 1085N 0.21 0.78 0.00 5.19 5.08 -1.11 0.58 114.58 125.31 1iv3 h GLU 1085Ca -0.06 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1iv3 h GLU 1085Cb 1.48 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1iv3 h GLU 1085CO 0.14 0.52 -0.01 0.00 -1.00 0.00 0.00 179.01 178.67 1iv3 h ALA 1086N 1.32 1.12 -0.56 3.43 0.00 -1.06 0.17 119.26 123.68 1iv3 h ALA 1086Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1iv3 h ALA 1086Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1iv3 h ALA 1086CO -0.13 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.67 1iv3 n ARG 1087N -3.27 2.36 -0.44 0.00 1.74 0.08 -4.92 116.66 112.21 1iv3 n ARG 1087Ca -0.03 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.02 1iv3 n ARG 1087Cb 0.10 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1iv3 n ARG 1087CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iv3 n GLY 1088N 1.36 0.75 3.77 -0.13 0.00 0.59 -5.04 105.19 106.49 1iv3 n GLY 1088Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1iv3 n GLY 1088CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iv3 n ALA 1089N -0.68 2.42 -4.01 4.61 0.00 -0.52 -4.97 120.51 117.37 1iv3 n ALA 1089Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 1iv3 n ALA 1089Cb 0.00 -2.43 -0.15 0.00 0.00 0.00 0.00 19.45 16.87 1iv3 n ALA 1089CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iv3 s LYS 1090N -1.63 1.47 0.21 0.00 1.02 -1.26 -4.48 119.74 115.08 1iv3 s LYS 1090Ca 0.56 -1.84 -0.32 0.00 0.02 0.00 0.00 55.97 54.39 1iv3 s LYS 1090Cb -0.48 -3.16 -0.13 0.00 -0.52 0.00 0.00 37.83 33.54 1iv3 s LYS 1090CO 0.59 -0.93 1.56 -0.11 -0.92 0.00 0.00 175.35 175.54 1iv3 n LEU 1091N 4.27 3.48 -0.07 3.17 7.94 -1.26 0.05 117.00 134.59 1iv3 n LEU 1091Ca 0.03 1.11 -0.09 0.00 -1.11 0.00 0.00 56.01 55.96 1iv3 n LEU 1091Cb 0.42 -1.48 -0.08 0.00 0.53 0.00 0.00 43.42 42.81 1iv3 n LEU 1091CO 0.22 -0.18 -0.94 -0.11 -1.11 0.00 0.00 177.39 175.26 1iv3 n LEU 1092N 2.94 1.98 -3.55 -1.96 7.94 0.60 -4.84 117.00 120.11 1iv3 n LEU 1092Ca 0.14 -0.05 -0.15 0.00 -1.11 0.00 0.00 56.01 54.84 1iv3 n LEU 1092Cb 0.32 -0.25 -0.06 0.00 0.53 0.00 0.00 43.42 43.97 1iv3 n LEU 1092CO 0.63 0.59 0.56 -1.58 -1.11 0.00 0.00 177.39 176.49 1iv3 s GLN 1093N -2.29 0.86 -0.04 1.96 0.74 -0.90 -4.85 119.66 115.14 1iv3 s GLN 1093Ca -0.15 0.31 0.01 0.00 0.05 0.00 0.00 55.36 55.58 1iv3 s GLN 1093Cb 0.04 0.41 0.02 0.00 1.10 0.00 0.00 33.01 34.58 1iv3 s GLN 1093CO 0.38 -0.25 -0.05 0.00 -0.55 0.00 0.00 175.29 174.83 1iv3 s ALA 1094N -0.94 0.68 -0.09 1.58 0.00 -0.70 -0.95 121.76 121.33 1iv3 s ALA 1094Ca -0.06 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1iv3 s ALA 1094Cb -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1iv3 s ALA 1094CO 0.06 0.00 -0.10 0.45 0.00 0.00 0.00 175.76 176.17 1iv3 s SER 1095N 0.87 2.03 0.09 0.00 0.15 0.13 -0.43 113.70 116.54 1iv3 s SER 1095Ca -0.12 -0.31 -0.08 0.00 0.70 0.00 0.00 55.95 56.14 1iv3 s SER 1095Cb -0.14 -0.85 -0.01 0.00 -1.71 0.00 0.00 66.02 63.31 1iv3 s SER 1095CO 0.00 -0.05 0.17 -1.48 1.20 0.00 0.00 173.24 173.09 1iv3 s LEU 1096N 1.24 1.51 -0.11 3.45 2.34 0.48 -0.64 118.68 126.95 1iv3 s LEU 1096Ca -0.04 -0.69 0.03 0.00 0.06 0.00 0.00 54.13 53.50 1iv3 s LEU 1096Cb -0.14 0.96 0.00 0.00 -0.56 0.00 0.00 46.19 46.46 1iv3 s LEU 1096CO -0.03 -0.72 -0.23 -0.69 -1.06 0.00 0.00 176.35 173.62 1iv3 s VAL 1097N -3.87 2.10 -0.15 1.48 1.01 0.10 -1.94 120.40 119.13 1iv3 s VAL 1097Ca 0.05 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1iv3 s VAL 1097Cb 0.05 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1iv3 s VAL 1097CO -0.11 0.56 0.02 -0.76 0.00 0.00 0.00 175.10 174.80 1iv3 s LEU 1098N 0.47 3.58 -0.17 3.92 1.43 -0.44 -2.19 118.68 125.29 1iv3 s LEU 1098Ca -0.16 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1iv3 s LEU 1098Cb -0.17 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1iv3 s LEU 1098CO 0.06 0.23 -0.18 -0.89 0.23 0.00 0.00 176.35 175.80 1iv3 s THR 1099N 0.01 1.87 -0.21 5.49 2.01 0.01 -0.53 115.64 124.29 1iv3 s THR 1099Ca 0.03 -0.82 -0.27 0.00 0.31 0.00 0.00 61.69 60.94 1iv3 s THR 1099Cb -0.13 -1.71 0.11 0.00 0.01 0.00 0.00 72.50 70.78 1iv3 s THR 1099CO 0.02 0.51 0.92 -1.48 -0.69 0.00 0.00 174.62 173.90 1iv3 s LEU 1100N 1.37 -0.50 0.21 4.42 2.34 -0.21 -1.11 118.68 125.20 1iv3 s LEU 1100Ca 0.05 0.80 0.03 0.00 0.06 0.00 0.00 54.13 55.07 1iv3 s LEU 1100Cb -0.13 2.07 0.16 0.00 -0.56 0.00 0.00 46.19 47.72 1iv3 s LEU 1100CO -0.12 -0.29 1.50 0.44 -1.06 0.00 0.00 176.35 176.82 1iv3 h ASP 1101N 3.67 0.32 -5.02 1.48 3.32 -1.83 -3.38 116.42 114.98 1iv3 h ASP 1101Ca -0.25 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 1iv3 h ASP 1101Cb 1.16 -0.09 -0.15 0.00 0.22 0.00 0.00 39.33 40.47 1iv3 h ASP 1101CO 0.20 0.90 0.08 0.00 -1.72 0.00 0.00 179.24 178.70 1iv3 s ARG 1102N -3.62 1.09 0.61 3.56 1.70 -1.26 -4.77 118.95 116.25 1iv3 s ARG 1102Ca -0.04 -0.28 -0.09 0.00 -0.47 0.00 0.00 55.73 54.85 1iv3 s ARG 1102Cb 0.11 0.50 0.14 0.00 -0.57 0.00 0.00 34.95 35.13 1iv3 s ARG 1102CO 0.81 -0.41 0.83 -0.35 -1.08 0.00 0.00 175.30 175.10 1iv3 n PRO 1103N 0.23 -0.64 -2.46 3.89 -0.04 -1.26 -4.92 135.00 129.80 1iv3 n PRO 1103Ca -0.18 -1.45 -0.41 0.00 -0.04 0.00 0.00 63.50 61.42 1iv3 n PRO 1103Cb 0.61 -0.80 -0.04 0.00 -0.04 0.00 0.00 33.50 33.23 1iv3 n PRO 1103CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1iv3 s LYS 1104N -4.76 4.53 -0.01 0.54 1.02 -1.26 -4.95 119.74 114.85 1iv3 s LYS 1104Ca 0.48 1.77 0.22 0.00 0.02 0.00 0.00 55.97 58.46 1iv3 s LYS 1104Cb -0.02 -3.28 -0.25 0.00 -0.52 0.00 0.00 37.83 33.77 1iv3 s LYS 1104CO 0.34 -0.05 0.74 1.28 -0.92 0.00 0.00 175.35 176.74 1iv3 n LEU 1105N 2.76 0.54 -0.31 3.17 4.77 -1.26 -4.52 117.00 122.15 1iv3 n LEU 1105Ca 0.05 -0.24 0.05 0.00 -0.03 0.00 0.00 56.01 55.84 1iv3 n LEU 1105Cb 0.46 -0.01 0.14 0.00 -2.33 0.00 0.00 43.42 41.67 1iv3 n LEU 1105CO 0.55 0.12 0.71 1.23 -1.33 0.00 0.00 177.39 178.67 1iv3 h GLY 1106N 4.53 0.72 2.00 -0.72 0.00 -2.00 0.31 103.07 107.90 1iv3 h GLY 1106Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1iv3 h GLY 1106CO 0.00 -0.35 0.00 -1.05 0.00 0.00 0.00 176.54 175.14 1iv3 n PRO 1107N -5.53 0.17 -0.17 4.80 -0.02 -1.26 -1.72 135.00 131.27 1iv3 n PRO 1107Ca 0.14 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 62.20 1iv3 n PRO 1107Cb 0.48 -1.90 0.17 0.00 -0.02 0.00 0.00 33.50 32.23 1iv3 n PRO 1107CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1iv3 n HIS 1108N -2.23 0.45 -0.12 6.00 8.25 0.10 -4.67 115.22 123.01 1iv3 n HIS 1108Ca 0.01 -0.33 -0.05 0.00 -0.26 0.00 0.00 57.72 57.08 1iv3 n HIS 1108Cb 0.16 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.27 1iv3 n HIS 1108CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1iv3 h ARG 1109N 3.03 -0.02 -0.32 -0.41 2.43 -0.89 0.61 114.38 118.81 1iv3 h ARG 1109Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1iv3 h ARG 1109Cb 0.78 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1iv3 h ARG 1109CO 0.00 -0.01 0.16 -0.22 -1.51 0.00 0.00 179.97 178.39 1iv3 h LYS 1110N -0.02 0.46 -0.50 0.20 3.64 -1.83 0.23 116.57 118.76 1iv3 h LYS 1110Ca 0.19 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1iv3 h LYS 1110Cb 0.31 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1iv3 h LYS 1110CO -0.42 0.42 0.12 0.00 -2.27 0.00 0.00 179.45 177.31 1iv3 h ALA 1111N 1.02 1.28 -0.23 5.00 0.00 -1.77 0.69 119.26 125.24 1iv3 h ALA 1111Ca 0.11 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1iv3 h ALA 1111Cb 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1iv3 h ALA 1111CO -0.02 0.51 -0.29 -0.07 0.00 0.00 0.00 179.25 179.38 1iv3 h LEU 1112N 0.74 0.65 -0.64 0.00 3.38 -0.32 -0.87 115.31 118.25 1iv3 h LEU 1112Ca 0.16 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 1iv3 h LEU 1112Cb 0.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1iv3 h LEU 1112CO -0.00 1.02 0.01 0.58 0.09 0.00 0.00 178.44 180.14 1iv3 h VAL 1113N 0.30 1.27 -0.86 1.22 2.07 -0.86 -1.93 116.25 117.46 1iv3 h VAL 1113Ca 0.03 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.42 1iv3 h VAL 1113Cb 0.86 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1iv3 h VAL 1113CO 0.07 0.42 0.57 0.44 0.02 0.00 0.00 177.57 179.08 1iv3 h ASP 1114N 0.98 0.97 -0.15 0.57 3.32 -0.72 0.64 116.42 122.02 1iv3 h ASP 1114Ca 0.18 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1iv3 h ASP 1114Cb 0.55 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1iv3 h ASP 1114CO 0.03 0.70 0.08 -1.28 -1.72 0.00 0.00 179.24 177.05 1iv3 h SER 1115N 1.14 0.19 -0.66 6.45 0.87 -0.86 -0.28 113.55 120.40 1iv3 h SER 1115Ca 0.32 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1iv3 h SER 1115Cb -0.11 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1iv3 h SER 1115CO -0.08 0.22 0.35 -0.07 -0.53 0.00 0.00 176.83 176.73 1iv3 h LEU 1116N 0.14 0.84 -0.68 2.23 3.38 -0.98 0.13 115.31 120.37 1iv3 h LEU 1116Ca 0.05 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1iv3 h LEU 1116Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1iv3 h LEU 1116CO -0.01 0.71 0.43 -1.28 0.09 0.00 0.00 178.44 178.38 1iv3 h SER 1117N 0.91 0.71 -0.23 -0.43 0.87 -0.63 0.55 113.55 115.30 1iv3 h SER 1117Ca 0.23 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.62 1iv3 h SER 1117Cb 0.06 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1iv3 h SER 1117CO -0.03 0.50 -0.53 -0.09 -0.53 0.00 0.00 176.83 176.14 1iv3 h ARG 1118N 0.85 0.76 -0.50 2.24 2.43 -0.46 -0.66 114.38 119.03 1iv3 h ARG 1118Ca 0.27 -0.51 -0.12 0.00 -0.81 0.00 0.00 59.98 58.81 1iv3 h ARG 1118Cb 0.00 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1iv3 h ARG 1118CO -0.10 1.13 -0.17 -0.07 -1.51 0.00 0.00 179.97 179.25 1iv3 h LEU 1119N 0.49 1.01 -1.80 3.80 4.07 -0.42 -3.16 115.31 119.30 1iv3 h LEU 1119Ca -0.00 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1iv3 h LEU 1119Cb 1.14 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.60 1iv3 h LEU 1119CO 0.12 1.15 0.00 0.23 -1.08 0.00 0.00 178.44 178.86 1iv3 n MET 1120N -4.12 2.22 -3.86 1.13 2.81 0.15 -4.96 117.12 110.50 1iv3 n MET 1120Ca 0.01 -1.79 -0.27 0.00 -1.81 0.00 0.00 57.70 53.83 1iv3 n MET 1120Cb 0.44 -1.47 0.03 0.00 -0.71 0.00 0.00 33.22 31.50 1iv3 n MET 1120CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1iv3 n ARG 1121N 1.11 -5.24 -4.39 0.03 1.74 -0.30 -5.00 116.66 104.61 1iv3 n ARG 1121Ca 0.16 0.59 -0.31 0.00 -0.77 0.00 0.00 57.85 57.53 1iv3 n ARG 1121Cb 0.54 -5.35 -0.11 0.00 -1.02 0.00 0.00 32.46 26.52 1iv3 n ARG 1121CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iv3 s LEU 1122N -7.09 3.01 0.82 0.55 1.43 -0.90 -5.05 118.68 111.45 1iv3 s LEU 1122Ca 0.44 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 1iv3 s LEU 1122Cb -0.22 -1.78 0.09 0.00 0.03 0.00 0.00 46.19 44.31 1iv3 s LEU 1122CO 0.83 0.23 1.12 -2.16 0.23 0.00 0.00 176.35 176.60 1iv3 s PRO 1123N -1.78 1.82 0.54 1.29 0.04 -1.26 -4.61 135.00 131.05 1iv3 s PRO 1123Ca 0.19 1.36 0.27 0.00 0.04 0.00 0.00 61.00 62.86 1iv3 s PRO 1123Cb -0.11 -1.83 1.54 0.00 0.04 0.00 0.00 34.50 34.13 1iv3 s PRO 1123CO 0.10 -2.00 2.12 1.96 0.04 0.00 0.00 177.00 179.22 1iv3 h GLN 1124N -1.29 0.00 -0.00 4.56 4.20 -1.95 -0.77 115.11 119.86 1iv3 h GLN 1124Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1iv3 h GLN 1124Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1iv3 h GLN 1124CO 0.48 0.09 -0.04 -0.40 -0.67 0.00 0.00 178.83 178.28 1iv3 n ASP 1125N -3.75 0.12 -1.08 1.46 5.68 -1.26 -2.66 116.55 115.05 1iv3 n ASP 1125Ca -0.02 -0.19 0.09 0.00 -0.50 0.00 0.00 54.79 54.17 1iv3 n ASP 1125Cb 0.19 -0.24 0.26 0.00 -1.14 0.00 0.00 41.12 40.19 1iv3 n ASP 1125CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1iv3 n ARG 1126N -1.23 2.83 -3.77 0.11 5.12 -0.30 -4.82 116.66 114.59 1iv3 n ARG 1126Ca 0.14 -2.44 -0.37 0.00 -1.93 0.00 0.00 57.85 53.24 1iv3 n ARG 1126Cb 0.26 -1.47 -0.13 0.00 -1.16 0.00 0.00 32.46 29.96 1iv3 n ARG 1126CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1iv3 s ILE 1127N -1.05 3.83 -0.69 0.55 -1.09 -1.09 -1.72 121.20 119.95 1iv3 s ILE 1127Ca 0.39 -0.84 -0.06 0.00 -2.23 0.00 0.00 60.65 57.91 1iv3 s ILE 1127Cb 0.21 -3.03 0.18 0.00 -1.58 0.00 0.00 42.46 38.24 1iv3 s ILE 1127CO 0.26 0.01 0.53 -0.83 -1.23 0.00 0.00 174.94 173.69 1iv3 s GLY 1128N 1.46 2.57 -0.20 6.18 0.00 0.43 -4.98 107.32 112.77 1iv3 s GLY 1128Ca 0.01 -3.31 -0.05 0.00 0.00 0.00 0.00 44.72 41.37 1iv3 s GLY 1128CO 0.02 1.14 -0.00 -2.27 0.00 0.00 0.00 173.10 171.99 1iv3 s LEU 1129N -0.06 3.22 0.09 0.66 2.96 -1.26 -0.39 118.68 123.89 1iv3 s LEU 1129Ca 0.18 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 1iv3 s LEU 1129Cb -0.17 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1iv3 s LEU 1129CO -0.05 0.05 -0.19 0.42 -1.32 0.00 0.00 176.35 175.26 1iv3 s THR 1130N 1.05 1.58 -0.07 3.68 -4.23 -0.82 -5.00 115.64 111.84 1iv3 s THR 1130Ca 0.02 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1iv3 s THR 1130Cb -0.14 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 1iv3 s THR 1130CO 0.01 -0.04 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.57 1iv3 s PHE 1131N -1.11 2.79 0.05 3.99 0.08 -1.26 -1.32 117.98 121.20 1iv3 s PHE 1131Ca 0.05 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 56.95 1iv3 s PHE 1131Cb -0.10 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1iv3 s PHE 1131CO 0.03 0.19 -0.05 0.15 -0.10 0.00 0.00 175.22 175.45 1iv3 s LYS 1132N -0.62 0.56 0.41 0.44 -0.14 0.31 -4.95 119.74 115.74 1iv3 s LYS 1132Ca 0.09 -0.99 0.07 0.00 -1.36 0.00 0.00 55.97 53.77 1iv3 s LYS 1132Cb -0.11 0.02 0.01 0.00 -1.68 0.00 0.00 37.83 36.06 1iv3 s LYS 1132CO 0.01 -0.05 0.57 0.95 -0.76 0.00 0.00 175.35 176.08 1iv3 s THR 1133N -2.74 3.26 -1.90 2.17 -4.23 -1.26 -1.04 115.64 109.90 1iv3 s THR 1133Ca -0.01 -0.94 0.26 0.00 -1.18 0.00 0.00 61.69 59.81 1iv3 s THR 1133Cb -0.01 -3.12 0.26 0.00 1.34 0.00 0.00 72.50 70.98 1iv3 s THR 1133CO -0.05 -0.05 1.52 -1.54 -0.54 0.00 0.00 174.62 173.96 1iv3 n SER 1134N -1.86 1.24 -2.71 3.99 3.41 -1.26 -4.76 113.62 111.67 1iv3 n SER 1134Ca 0.06 -1.06 -0.20 0.00 -0.26 0.00 0.00 58.87 57.40 1iv3 n SER 1134Cb 0.59 0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.71 1iv3 n SER 1134CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iv3 n GLU 1135N -0.44 -3.04 -0.74 4.33 -0.58 -1.26 -0.97 120.64 117.94 1iv3 n GLU 1135Ca 0.13 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.73 1iv3 n GLU 1135Cb 0.37 -5.60 0.00 0.00 -0.57 0.00 0.00 31.44 25.64 1iv3 n GLU 1135CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iv3 n GLY 1136N -1.18 1.26 0.30 0.62 0.00 -1.26 -4.93 105.19 100.01 1iv3 n GLY 1136Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1iv3 n GLY 1136CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iv3 h LEU 1137N 0.00 0.89 -5.88 0.99 5.85 -1.47 -3.38 115.31 112.32 1iv3 h LEU 1137Ca 0.00 -0.23 -0.50 0.00 0.84 0.00 0.00 57.88 57.99 1iv3 h LEU 1137Cb 0.00 -0.24 -0.35 0.00 0.37 0.00 0.00 40.66 40.45 1iv3 h LEU 1137CO 0.00 0.95 -0.98 0.00 -0.34 0.00 0.00 178.44 178.07 1iv3 n ALA 1138N -2.48 1.81 0.34 1.25 0.00 -1.26 -4.98 120.51 115.19 1iv3 n ALA 1138Ca 0.03 -2.99 0.12 0.00 0.00 0.00 0.00 53.44 50.60 1iv3 n ALA 1138Cb 0.32 -0.90 0.54 0.00 0.00 0.00 0.00 19.45 19.41 1iv3 n ALA 1138CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1iv3 h PRO 1139N 4.30 0.00 0.00 0.00 0.13 -1.94 -3.03 132.00 131.46 1iv3 h PRO 1139Ca 0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1iv3 h PRO 1139Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1iv3 h PRO 1139CO 0.41 0.00 -0.23 0.43 -0.23 0.00 0.00 178.00 178.38 1iv3 n SER 1140N -2.31 2.01 -4.13 1.44 7.64 -1.26 -4.74 113.62 112.26 1iv3 n SER 1140Ca 0.01 -3.36 -0.15 0.00 1.01 0.00 0.00 58.87 56.38 1iv3 n SER 1140Cb 0.19 -0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 62.81 1iv3 n SER 1140CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1iv3 s HIS 1141N -2.89 0.95 -0.13 1.43 3.76 -1.15 0.39 115.29 117.65 1iv3 s HIS 1141Ca 0.34 -0.57 -0.05 0.00 -0.15 0.00 0.00 55.06 54.62 1iv3 s HIS 1141Cb 0.31 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 33.43 1iv3 s HIS 1141CO -0.01 -0.03 0.07 0.54 -0.85 0.00 0.00 174.74 174.46 1iv3 s VAL 1142N -1.88 4.88 0.01 -0.90 0.11 -0.05 -4.57 120.40 118.00 1iv3 s VAL 1142Ca -0.01 -0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.09 1iv3 s VAL 1142Cb -0.06 -3.13 -0.02 0.00 -1.53 0.00 0.00 36.38 31.64 1iv3 s VAL 1142CO 0.00 0.56 -0.22 -1.10 -3.33 0.00 0.00 175.10 171.02 1iv3 s GLN 1143N -0.53 1.66 -0.03 1.54 -0.21 -0.27 -1.27 119.66 120.56 1iv3 s GLN 1143Ca 0.11 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.64 1iv3 s GLN 1143Cb -0.12 -1.68 0.01 0.00 1.00 0.00 0.00 33.01 32.23 1iv3 s GLN 1143CO 0.02 0.45 -0.05 0.00 -2.12 0.00 0.00 175.29 173.59 1iv3 s ALA 1144N -0.62 0.58 -0.04 6.09 0.00 0.13 -0.81 121.76 127.08 1iv3 s ALA 1144Ca 0.08 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1iv3 s ALA 1144Cb -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1iv3 s ALA 1144CO 0.00 0.05 -0.11 1.03 0.00 0.00 0.00 175.76 176.73 1iv3 s ARG 1145N 0.45 1.34 0.01 0.00 0.52 -0.93 -0.48 118.95 119.85 1iv3 s ARG 1145Ca -0.06 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 1iv3 s ARG 1145Cb -0.09 -1.18 -0.01 0.00 0.52 0.00 0.00 34.95 34.19 1iv3 s ARG 1145CO -0.00 0.10 -0.06 0.00 0.02 0.00 0.00 175.30 175.36 1iv3 s ALA 1146N 0.37 0.45 -0.07 2.13 0.00 -0.18 -0.73 121.76 123.74 1iv3 s ALA 1146Ca -0.08 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 51.60 1iv3 s ALA 1146Cb -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1iv3 s ALA 1146CO 0.02 0.08 -0.24 0.08 0.00 0.00 0.00 175.76 175.69 1iv3 s VAL 1147N -0.39 2.11 0.13 0.00 1.01 0.19 -1.02 120.40 122.42 1iv3 s VAL 1147Ca -0.01 -1.04 0.11 0.00 0.00 0.00 0.00 61.98 61.04 1iv3 s VAL 1147Cb -0.04 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1iv3 s VAL 1147CO -0.00 0.57 -0.27 0.68 0.00 0.00 0.00 175.10 176.08 1iv3 s VAL 1148N -0.09 2.24 -0.08 2.92 -7.23 -0.22 -0.69 120.40 117.26 1iv3 s VAL 1148Ca -0.06 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.39 1iv3 s VAL 1148Cb -0.14 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1iv3 s VAL 1148CO 0.04 0.09 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.53 1iv3 s LEU 1149N -2.05 1.85 0.08 1.32 2.96 -0.12 -1.43 118.68 121.28 1iv3 s LEU 1149Ca 0.14 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.69 1iv3 s LEU 1149Cb -0.10 -1.09 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 1iv3 s LEU 1149CO 0.06 0.09 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.26 1iv3 s LEU 1150N 0.51 2.29 0.00 -0.68 1.02 -0.09 -0.29 118.68 121.43 1iv3 s LEU 1150Ca -0.16 -0.64 0.00 0.00 0.02 0.00 0.00 54.13 53.34 1iv3 s LEU 1150Cb -0.17 -0.60 0.00 0.00 0.02 0.00 0.00 46.19 45.44 1iv3 s LEU 1150CO 0.06 -0.05 0.00 0.47 0.02 0.00 0.00 176.35 176.85