#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iv4 s ILE 1003N 0.00 1.56 0.02 0.55 2.07 -1.26 -0.86 121.20 123.28 1iv4 s ILE 1003Ca 0.00 -1.63 0.00 0.00 -1.41 0.00 0.00 60.65 57.61 1iv4 s ILE 1003Cb 0.00 -1.54 -0.01 0.00 0.13 0.00 0.00 42.46 41.04 1iv4 s ILE 1003CO 0.00 -0.23 -0.02 -0.83 -1.91 0.00 0.00 174.94 171.95 1iv4 s GLY 1004N -2.18 0.18 -0.03 1.50 0.00 -0.58 -4.20 107.32 102.02 1iv4 s GLY 1004Ca 0.08 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.39 1iv4 s GLY 1004CO 0.04 -0.48 -0.11 -0.47 0.00 0.00 0.00 173.10 172.08 1iv4 s TYR 1005N -1.04 1.15 0.07 1.90 5.04 -1.26 -1.06 117.35 122.15 1iv4 s TYR 1005Ca -0.11 -0.31 -0.11 0.00 -2.44 0.00 0.00 57.07 54.09 1iv4 s TYR 1005Cb -0.07 -0.81 0.01 0.00 0.35 0.00 0.00 41.96 41.43 1iv4 s TYR 1005CO -0.01 -0.13 0.25 0.20 -1.34 0.00 0.00 175.55 174.52 1iv4 s GLY 1006N 0.23 -0.03 0.04 8.97 0.00 -0.32 -4.30 107.32 111.93 1iv4 s GLY 1006Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1iv4 s GLY 1006CO 0.01 -0.52 -0.05 -0.54 0.00 0.00 0.00 173.10 172.00 1iv4 s GLU 1007N -3.29 0.52 0.08 2.90 2.02 -1.26 -0.50 118.70 119.16 1iv4 s GLU 1007Ca 0.00 -0.91 -0.19 0.00 0.02 0.00 0.00 54.97 53.89 1iv4 s GLU 1007Cb 0.02 0.00 0.04 0.00 0.10 0.00 0.00 34.13 34.29 1iv4 s GLU 1007CO -0.08 -0.04 0.46 0.34 0.02 0.00 0.00 175.26 175.96 1iv4 s ASP 1008N -2.11 -0.35 0.08 -0.19 2.15 -0.01 -4.49 116.67 111.76 1iv4 s ASP 1008Ca -0.04 -0.03 -0.13 0.00 0.43 0.00 0.00 52.55 52.77 1iv4 s ASP 1008Cb -0.03 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.09 1iv4 s ASP 1008CO -0.04 -0.76 0.31 -0.94 -0.17 0.00 0.00 175.17 173.57 1iv4 s SER 1009N -2.28 -0.10 -0.04 -0.34 1.04 -1.26 -0.73 113.70 109.99 1iv4 s SER 1009Ca -0.02 -0.36 -0.10 0.00 0.48 0.00 0.00 55.95 55.95 1iv4 s SER 1009Cb 0.00 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.53 1iv4 s SER 1009CO -0.06 -0.73 0.23 -1.00 0.98 0.00 0.00 173.24 172.66 1iv4 s HIS 1010N -3.36 -0.14 0.46 5.02 3.76 -0.43 -5.01 115.29 115.59 1iv4 s HIS 1010Ca 0.01 0.28 -0.22 0.00 -0.15 0.00 0.00 55.06 54.97 1iv4 s HIS 1010Cb 0.02 0.05 -0.08 0.00 1.11 0.00 0.00 32.58 33.68 1iv4 s HIS 1010CO -0.09 -0.26 1.13 0.50 -0.85 0.00 0.00 174.74 175.17 1iv4 s ARG 1011N -0.82 3.79 -0.14 1.40 3.52 -1.26 -1.66 118.95 123.78 1iv4 s ARG 1011Ca -0.09 1.67 -0.04 0.00 -0.13 0.00 0.00 55.73 57.13 1iv4 s ARG 1011Cb -0.05 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.95 1iv4 s ARG 1011CO 0.02 -0.50 0.01 -0.51 -0.81 0.00 0.00 175.30 173.51 1iv4 s LEU 1012N -3.09 3.57 0.11 -0.88 1.43 0.11 -0.39 118.68 119.54 1iv4 s LEU 1012Ca 0.64 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.86 1iv4 s LEU 1012Cb -0.26 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1iv4 s LEU 1012CO 0.31 0.24 -0.20 -1.61 0.23 0.00 0.00 176.35 175.32 1iv4 s GLU 1013N -0.06 1.13 0.38 1.70 8.01 0.80 -4.85 118.70 125.80 1iv4 s GLU 1013Ca 0.04 -1.19 -0.28 0.00 0.01 0.00 0.00 54.97 53.55 1iv4 s GLU 1013Cb -0.13 -1.34 -0.11 0.00 -4.31 0.00 0.00 34.13 28.25 1iv4 s GLU 1013CO 0.02 0.30 1.41 0.39 0.01 0.00 0.00 175.26 177.39 1iv4 n GLU 1014N 0.95 2.43 -1.00 1.61 4.71 -1.26 -1.46 120.64 126.62 1iv4 n GLU 1014Ca -0.18 0.85 -0.00 0.00 -0.01 0.00 0.00 57.16 57.82 1iv4 n GLU 1014Cb 0.54 -2.55 -0.00 0.00 -1.01 0.00 0.00 31.44 28.42 1iv4 n GLU 1014CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iv4 n GLY 1015N 0.58 0.49 3.71 0.62 0.00 -0.84 -4.87 105.19 104.88 1iv4 n GLY 1015Ca 0.03 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1iv4 n GLY 1015CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iv4 s ARG 1016N -0.16 2.80 0.33 1.61 0.52 -1.23 -4.98 118.95 117.83 1iv4 s ARG 1016Ca 0.00 -0.65 -0.28 0.00 -0.52 0.00 0.00 55.73 54.29 1iv4 s ARG 1016Cb 0.00 -2.68 -0.09 0.00 0.52 0.00 0.00 34.95 32.69 1iv4 s ARG 1016CO 0.00 0.60 1.15 -1.25 0.02 0.00 0.00 175.30 175.83 1iv4 s PRO 1017N -1.85 4.40 -0.25 3.54 0.04 -1.26 -2.15 135.00 137.46 1iv4 s PRO 1017Ca 0.23 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 1iv4 s PRO 1017Cb -0.12 -2.98 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 1iv4 s PRO 1017CO 0.14 -0.03 0.17 -1.17 0.04 0.00 0.00 177.00 176.16 1iv4 s LEU 1018N -1.88 4.09 -0.19 -3.56 2.96 -1.26 -3.37 118.68 115.48 1iv4 s LEU 1018Ca 0.50 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.48 1iv4 s LEU 1018Cb -0.32 -2.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.25 1iv4 s LEU 1018CO 0.42 0.03 -0.11 -0.31 -1.32 0.00 0.00 176.35 175.06 1iv4 s TYR 1019N 1.24 2.87 -0.02 5.38 2.02 -1.26 -0.39 117.35 127.20 1iv4 s TYR 1019Ca 0.08 -1.09 0.00 0.00 -0.37 0.00 0.00 57.07 55.69 1iv4 s TYR 1019Cb -0.14 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1iv4 s TYR 1019CO 0.06 -0.56 0.00 -0.51 -1.57 0.00 0.00 175.55 172.97 1iv4 s LEU 1020N 1.21 1.37 -1.64 -1.29 1.43 0.03 -4.07 118.68 115.72 1iv4 s LEU 1020Ca 0.02 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1iv4 s LEU 1020Cb -0.14 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.93 1iv4 s LEU 1020CO -0.04 -0.07 0.00 0.00 0.23 0.00 0.00 176.35 176.46 1iv4 n GLY 1022N -0.92 0.88 3.65 0.00 0.00 -1.26 -4.47 105.19 103.07 1iv4 n GLY 1022Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1iv4 n GLY 1022CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iv4 s LEU 1023N 0.00 3.35 -0.05 0.99 1.43 -0.29 -5.04 118.68 119.06 1iv4 s LEU 1023Ca 0.00 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1iv4 s LEU 1023Cb 0.00 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1iv4 s LEU 1023CO 0.00 0.23 1.24 -0.22 0.23 0.00 0.00 176.35 177.84 1iv4 s LEU 1024N -1.84 4.28 -0.24 1.79 1.98 -1.26 -0.79 118.68 122.60 1iv4 s LEU 1024Ca 0.21 1.87 -0.06 0.00 -2.89 0.00 0.00 54.13 53.26 1iv4 s LEU 1024Cb -0.11 -3.56 -0.02 0.00 0.66 0.00 0.00 46.19 43.16 1iv4 s LEU 1024CO 0.13 -0.62 0.03 -0.63 -1.89 0.00 0.00 176.35 173.37 1iv4 s ILE 1025N 2.32 4.01 0.08 6.68 -1.09 0.47 -4.96 121.20 128.71 1iv4 s ILE 1025Ca 0.57 -0.27 -0.35 0.00 -2.23 0.00 0.00 60.65 58.36 1iv4 s ILE 1025Cb -0.26 -2.86 -0.15 0.00 -1.58 0.00 0.00 42.46 37.61 1iv4 s ILE 1025CO 0.22 0.37 1.52 -2.65 -1.23 0.00 0.00 174.94 173.17 1iv4 n PRO 1026N 4.81 1.68 -3.57 2.79 -0.02 -1.26 -4.08 135.00 135.35 1iv4 n PRO 1026Ca -0.17 0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 61.80 1iv4 n PRO 1026Cb 0.51 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 1iv4 n PRO 1026CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1iv4 s SER 1027N 1.18 -0.41 0.14 2.55 0.15 -1.26 -4.86 113.70 111.19 1iv4 s SER 1027Ca 0.84 0.43 0.25 0.00 0.70 0.00 0.00 55.95 58.17 1iv4 s SER 1027Cb -0.82 0.34 0.93 0.00 -1.71 0.00 0.00 66.02 64.76 1iv4 s SER 1027CO 0.45 -0.39 1.77 -0.81 1.20 0.00 0.00 173.24 175.45 1iv4 n PRO 1028N 0.71 0.16 -4.19 5.44 -0.04 -1.26 -4.82 135.00 131.00 1iv4 n PRO 1028Ca -0.11 0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 1iv4 n PRO 1028Cb 0.58 -1.71 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 1iv4 n PRO 1028CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iv4 s VAL 1029N -3.11 0.74 0.24 0.52 -7.23 -1.26 -1.98 120.40 108.32 1iv4 s VAL 1029Ca 0.10 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.13 1iv4 s VAL 1029Cb 0.13 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.33 1iv4 s VAL 1029CO 0.50 -0.80 0.61 -0.83 -0.31 0.00 0.00 175.10 174.27 1iv4 s GLY 1030N -3.08 0.01 0.41 2.32 0.00 -0.53 -4.14 107.32 102.30 1iv4 s GLY 1030Ca 0.14 -0.35 -0.26 0.00 0.00 0.00 0.00 44.72 44.25 1iv4 s GLY 1030CO -0.03 -0.23 1.29 0.00 0.00 0.00 0.00 173.10 174.13 1iv4 s ALA 1031N -3.92 3.24 -0.40 3.20 0.00 -1.22 -0.14 121.76 122.52 1iv4 s ALA 1031Ca 0.12 1.20 -0.07 0.00 0.00 0.00 0.00 51.96 53.21 1iv4 s ALA 1031Cb -0.03 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.69 1iv4 s ALA 1031CO 0.04 -0.80 0.22 -1.17 0.00 0.00 0.00 175.76 174.05 1iv4 s LEU 1032N -2.45 5.02 0.17 0.00 2.96 0.47 -4.74 118.68 120.11 1iv4 s LEU 1032Ca 0.57 -1.57 -0.23 0.00 -0.22 0.00 0.00 54.13 52.68 1iv4 s LEU 1032Cb -0.37 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.45 1iv4 s LEU 1032CO 0.48 -0.51 0.67 0.00 -1.32 0.00 0.00 176.35 175.67 1iv4 s ALA 1033N 1.36 -1.53 -0.00 5.97 0.00 -1.26 -4.29 121.76 122.00 1iv4 s ALA 1033Ca 0.03 0.33 0.16 0.00 0.00 0.00 0.00 51.96 52.47 1iv4 s ALA 1033Cb -0.23 0.83 0.27 0.00 0.00 0.00 0.00 23.12 23.99 1iv4 s ALA 1033CO 0.01 -0.84 1.54 0.45 0.00 0.00 0.00 175.76 176.91 1iv4 h HIS 1034N 2.00 0.00 -2.71 0.00 3.86 -2.03 -3.45 115.15 112.82 1iv4 h HIS 1034Ca -0.29 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.83 1iv4 h HIS 1034Cb 1.29 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.79 1iv4 h HIS 1034CO 0.29 0.51 0.08 -1.13 0.86 0.00 0.00 177.93 178.54 1iv4 n SER 1035N -3.35 0.08 -0.08 2.45 3.41 -1.26 -4.87 113.62 110.00 1iv4 n SER 1035Ca 0.01 -1.14 0.15 0.00 -0.26 0.00 0.00 58.87 57.63 1iv4 n SER 1035Cb 0.67 -0.21 0.74 0.00 -0.26 0.00 0.00 64.21 65.15 1iv4 n SER 1035CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iv4 n ASP 1036N -3.14 0.28 -0.84 4.04 3.85 -1.26 -4.90 116.55 114.58 1iv4 n ASP 1036Ca 0.04 -0.63 -0.11 0.00 -0.71 0.00 0.00 54.79 53.38 1iv4 n ASP 1036Cb 0.13 -0.11 -0.04 0.00 -1.35 0.00 0.00 41.12 39.75 1iv4 n ASP 1036CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iv4 n GLY 1037N 1.20 1.16 3.56 6.12 0.00 -1.26 -4.41 105.19 111.55 1iv4 n GLY 1037Ca 0.17 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1iv4 n GLY 1037CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iv4 s ASP 1038N -2.87 6.19 0.38 1.61 -1.08 -1.26 -4.81 116.67 114.83 1iv4 s ASP 1038Ca 0.00 -1.03 0.07 0.00 -0.52 0.00 0.00 52.55 51.06 1iv4 s ASP 1038Cb 0.00 -2.56 0.77 0.00 -1.46 0.00 0.00 42.92 39.66 1iv4 s ASP 1038CO 0.00 -1.78 1.97 0.00 0.52 0.00 0.00 175.17 175.88 1iv4 h ALA 1039N 10.29 1.56 -0.07 3.66 0.00 -1.90 -0.69 119.26 132.11 1iv4 h ALA 1039Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1iv4 h ALA 1039Cb 1.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1iv4 h ALA 1039CO 1.36 0.34 -0.00 0.00 0.00 0.00 0.00 179.25 180.94 1iv4 h ALA 1040N 1.65 0.09 -0.42 0.00 0.00 -1.87 -0.62 119.26 118.09 1iv4 h ALA 1040Ca 0.11 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1iv4 h ALA 1040Cb 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1iv4 h ALA 1040CO -0.01 -0.23 0.21 0.52 0.00 0.00 0.00 179.25 179.74 1iv4 h MET 1041N -0.17 0.41 -0.65 0.00 2.86 -1.84 -1.30 114.93 114.24 1iv4 h MET 1041Ca 0.02 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1iv4 h MET 1041Cb 0.34 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1iv4 h MET 1041CO 0.00 0.27 0.20 0.45 1.06 0.00 0.00 176.91 178.90 1iv4 h HIS 1042N 0.42 1.04 -0.55 -0.22 3.86 -0.99 -0.51 115.15 118.21 1iv4 h HIS 1042Ca 0.18 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1iv4 h HIS 1042Cb 0.09 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 1iv4 h HIS 1042CO -0.10 0.84 0.19 0.00 0.86 0.00 0.00 177.93 179.72 1iv4 h ALA 1043N 1.08 0.72 -0.70 2.45 0.00 -0.85 -0.22 119.26 121.74 1iv4 h ALA 1043Ca 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1iv4 h ALA 1043Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1iv4 h ALA 1043CO -0.01 0.36 0.26 -0.07 0.00 0.00 0.00 179.25 179.79 1iv4 h LEU 1044N 0.76 0.97 -0.20 0.00 3.38 -1.13 -0.05 115.31 119.03 1iv4 h LEU 1044Ca 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1iv4 h LEU 1044Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1iv4 h LEU 1044CO -0.01 0.87 0.07 0.74 0.09 0.00 0.00 178.44 180.20 1iv4 h THR 1045N 1.02 1.19 -0.83 0.22 2.02 -0.66 -1.16 112.91 114.70 1iv4 h THR 1045Ca 0.23 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1iv4 h THR 1045Cb 0.22 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1iv4 h THR 1045CO -0.02 0.19 0.40 0.44 0.37 0.00 0.00 175.52 176.90 1iv4 h ASP 1046N 0.16 1.08 -0.72 4.18 3.32 -0.88 -0.27 116.42 123.29 1iv4 h ASP 1046Ca 0.07 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 1iv4 h ASP 1046Cb 0.23 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1iv4 h ASP 1046CO -0.00 0.91 0.18 0.00 -1.72 0.00 0.00 179.24 178.61 1iv4 h ALA 1047N 1.25 0.95 -0.28 3.45 0.00 -0.63 0.85 119.26 124.86 1iv4 h ALA 1047Ca 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1iv4 h ALA 1047Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1iv4 h ALA 1047CO -0.04 0.67 0.11 -0.07 0.00 0.00 0.00 179.25 179.93 1iv4 h LEU 1048N 1.09 0.39 -0.53 0.00 3.38 -0.85 -1.32 115.31 117.47 1iv4 h LEU 1048Ca 0.23 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1iv4 h LEU 1048Cb 0.37 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1iv4 h LEU 1048CO 0.00 0.46 0.32 -0.07 0.09 0.00 0.00 178.44 179.24 1iv4 h LEU 1049N 0.30 0.63 -1.32 1.67 3.38 -0.73 -2.64 115.31 116.60 1iv4 h LEU 1049Ca 0.09 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1iv4 h LEU 1049Cb 0.19 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1iv4 h LEU 1049CO -0.01 0.49 0.47 -1.28 0.09 0.00 0.00 178.44 178.20 1iv4 h SER 1050N 0.71 0.79 0.16 -0.43 0.87 -0.68 -0.86 113.55 114.11 1iv4 h SER 1050Ca 0.19 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1iv4 h SER 1050Cb -0.03 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1iv4 h SER 1050CO -0.04 0.57 0.00 0.00 -0.53 0.00 0.00 176.83 176.83 1iv4 n ALA 1051N -2.43 1.19 -0.16 6.23 0.00 -0.51 -1.81 120.51 123.02 1iv4 n ALA 1051Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1iv4 n ALA 1051Cb 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1iv4 n ALA 1051CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1iv4 n TYR 1052N -1.99 0.00 -2.17 0.00 4.02 -0.73 -4.77 117.16 111.52 1iv4 n TYR 1052Ca -0.00 -0.41 -0.14 0.00 -0.01 0.00 0.00 57.90 57.33 1iv4 n TYR 1052Cb 0.07 -0.04 -0.01 0.00 -0.02 0.00 0.00 39.34 39.33 1iv4 n TYR 1052CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iv4 n GLY 1053N -0.41 -0.02 0.04 2.72 0.00 -0.75 -4.89 105.19 101.88 1iv4 n GLY 1053Ca 0.00 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.87 1iv4 n GLY 1053CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iv4 n LEU 1054N -2.00 0.22 0.00 0.99 4.77 -0.41 -5.00 117.00 115.57 1iv4 n LEU 1054Ca -0.17 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1iv4 n LEU 1054Cb 0.61 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1iv4 n LEU 1054CO 0.20 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1iv4 n GLY 1055N 1.37 0.10 3.42 -0.72 0.00 -1.26 -4.94 105.19 103.17 1iv4 n GLY 1055Ca 0.11 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 1iv4 n GLY 1055CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iv4 s ASP 1056N -4.00 1.06 0.37 1.61 1.47 -1.26 -4.24 116.67 111.68 1iv4 s ASP 1056Ca 0.00 -1.54 0.15 0.00 1.18 0.00 0.00 52.55 52.34 1iv4 s ASP 1056Cb 0.00 0.61 0.70 0.00 -0.34 0.00 0.00 42.92 43.89 1iv4 s ASP 1056CO 0.00 -1.20 1.78 0.16 0.68 0.00 0.00 175.17 176.59 1iv4 h ILE 1057N 2.15 1.13 0.00 2.11 3.07 -1.93 -1.13 117.51 122.91 1iv4 h ILE 1057Ca -0.28 -1.46 -0.10 0.00 1.55 0.00 0.00 64.86 64.57 1iv4 h ILE 1057Cb 1.24 1.83 -0.01 0.00 -0.27 0.00 0.00 36.82 39.60 1iv4 h ILE 1057CO 0.39 0.40 -0.49 1.23 -1.05 0.00 0.00 178.15 178.62 1iv4 h GLY 1058N 1.53 0.00 0.40 0.16 0.00 -1.97 0.11 103.07 103.30 1iv4 h GLY 1058Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1iv4 h GLY 1058CO 0.05 0.00 -0.18 -2.00 0.00 0.00 0.00 176.54 174.42 1iv4 h LEU 1059N 0.00 0.16 0.00 3.11 5.85 -1.82 -3.33 115.31 119.28 1iv4 h LEU 1059Ca -0.00 -0.77 -0.16 0.00 0.84 0.00 0.00 57.88 57.79 1iv4 h LEU 1059Cb 1.00 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1iv4 h LEU 1059CO 0.06 0.91 -1.11 -0.07 -0.34 0.00 0.00 178.44 177.89 1iv4 h LEU 1060N -0.57 0.00 -4.96 2.25 3.38 -1.22 -3.39 115.31 110.81 1iv4 h LEU 1060Ca -0.02 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.40 1iv4 h LEU 1060Cb 0.93 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.26 1iv4 h LEU 1060CO 0.03 0.63 -0.81 0.49 0.09 0.00 0.00 178.44 178.87 1iv4 n PHE 1061N -3.05 3.02 -2.39 1.13 3.72 0.39 -5.07 117.46 115.22 1iv4 n PHE 1061Ca -0.06 -3.41 -0.35 0.00 -0.05 0.00 0.00 57.45 53.58 1iv4 n PHE 1061Cb 0.83 -0.28 -0.01 0.00 -0.94 0.00 0.00 39.48 39.08 1iv4 n PHE 1061CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1iv4 s PRO 1062N -3.36 3.55 0.00 -1.08 0.04 -1.25 -4.81 135.00 128.09 1iv4 s PRO 1062Ca 0.45 1.50 0.30 0.00 0.04 0.00 0.00 61.00 63.29 1iv4 s PRO 1062Cb 0.37 -2.04 1.67 0.00 0.04 0.00 0.00 34.50 34.53 1iv4 s PRO 1062CO -0.13 -0.66 2.11 -0.40 0.04 0.00 0.00 177.00 177.95 1iv4 n ASP 1063N -1.15 0.00 0.14 6.66 3.85 -1.26 -1.79 116.55 123.00 1iv4 n ASP 1063Ca 0.11 -0.52 0.11 0.00 -0.71 0.00 0.00 54.79 53.79 1iv4 n ASP 1063Cb 0.52 -0.16 0.51 0.00 -1.35 0.00 0.00 41.12 40.64 1iv4 n ASP 1063CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1iv4 n THR 1064N -1.16 0.90 -3.57 2.12 -2.24 -1.26 -4.38 114.28 104.70 1iv4 n THR 1064Ca 0.18 0.38 -0.38 0.00 -2.27 0.00 0.00 64.05 61.96 1iv4 n THR 1064Cb 0.18 -1.33 -0.11 0.00 -2.10 0.00 0.00 70.33 66.98 1iv4 n THR 1064CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iv4 s ASP 1065N -4.16 6.06 0.59 3.42 -1.08 -0.74 -4.98 116.67 115.79 1iv4 s ASP 1065Ca 0.02 0.05 0.29 0.00 -0.52 0.00 0.00 52.55 52.39 1iv4 s ASP 1065Cb 0.08 -2.13 1.56 0.00 -1.46 0.00 0.00 42.92 40.97 1iv4 s ASP 1065CO 0.33 -0.06 1.99 1.55 0.52 0.00 0.00 175.17 179.51 1iv4 h PRO 1066N 8.26 0.00 0.00 4.34 0.13 -1.87 -0.69 132.00 142.17 1iv4 h PRO 1066Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1iv4 h PRO 1066Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1iv4 h PRO 1066CO 0.57 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 178.08 1iv4 h ARG 1067N 0.00 0.00 0.00 0.86 3.08 -1.93 -3.35 114.38 113.04 1iv4 h ARG 1067Ca 0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1iv4 h ARG 1067Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1iv4 h ARG 1067CO -0.00 0.26 -1.30 0.91 -1.07 0.00 0.00 179.97 178.77 1iv4 n TRP 1068N -3.40 0.00 -1.86 3.04 5.03 -0.34 -4.88 117.44 115.02 1iv4 n TRP 1068Ca 0.00 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.12 1iv4 n TRP 1068Cb 0.47 -0.16 -0.02 0.00 -1.03 0.00 0.00 31.31 30.56 1iv4 n TRP 1068CO 0.00 0.00 0.00 0.50 -0.03 0.00 0.00 177.69 178.16 1iv4 s ARG 1069N -2.40 4.18 0.00 -0.99 3.52 -0.73 -1.66 118.95 120.88 1iv4 s ARG 1069Ca -0.02 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 1iv4 s ARG 1069Cb 0.04 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.35 1iv4 s ARG 1069CO 0.26 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 174.57 1iv4 n GLY 1070N 2.76 1.11 3.86 8.12 0.00 -1.26 -5.00 105.19 114.78 1iv4 n GLY 1070Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1iv4 n GLY 1070CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iv4 s GLU 1071N -0.04 3.90 0.50 1.61 0.41 -0.66 -5.03 118.70 119.38 1iv4 s GLU 1071Ca 0.00 0.62 -0.23 0.00 -0.41 0.00 0.00 54.97 54.95 1iv4 s GLU 1071Cb 0.00 -2.37 -0.07 0.00 -1.78 0.00 0.00 34.13 29.91 1iv4 s GLU 1071CO 0.00 0.02 1.37 0.54 -0.49 0.00 0.00 175.26 176.70 1iv4 n ARG 1072N -0.93 1.92 0.18 1.61 1.74 -1.26 -4.73 116.66 115.19 1iv4 n ARG 1072Ca 0.03 0.69 0.15 0.00 -0.77 0.00 0.00 57.85 57.96 1iv4 n ARG 1072Cb 0.54 -2.57 0.74 0.00 -1.02 0.00 0.00 32.46 30.15 1iv4 n ARG 1072CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1iv4 h SER 1073N 1.81 0.00 0.30 0.55 0.02 -1.96 -0.23 113.55 114.04 1iv4 h SER 1073Ca -0.51 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 1iv4 h SER 1073Cb 1.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 1iv4 h SER 1073CO 0.59 0.00 -0.14 -0.08 -1.14 0.00 0.00 176.83 176.06 1iv4 h GLU 1074N 0.00 0.00 -0.79 3.45 4.81 -1.96 -1.33 114.58 118.76 1iv4 h GLU 1074Ca 0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1iv4 h GLU 1074Cb 0.40 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1iv4 h GLU 1074CO -0.00 0.14 0.45 0.28 -0.73 0.00 0.00 179.01 179.15 1iv4 h VAL 1075N 0.00 1.23 -0.22 0.32 2.07 -1.39 -0.64 116.25 117.63 1iv4 h VAL 1075Ca -0.00 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 1iv4 h VAL 1075Cb 0.33 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1iv4 h VAL 1075CO 0.02 0.25 -0.21 -0.26 0.02 0.00 0.00 177.57 177.38 1iv4 h PHE 1076N 1.09 0.64 -0.45 1.57 0.04 -1.40 -0.95 116.94 117.48 1iv4 h PHE 1076Ca 0.28 -0.19 0.08 0.00 2.80 0.00 0.00 57.97 60.94 1iv4 h PHE 1076Cb 0.00 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 37.95 1iv4 h PHE 1076CO -0.00 0.87 0.07 1.25 -0.60 0.00 0.00 178.31 179.90 1iv4 h LEU 1077N 0.22 -0.04 -0.78 1.54 5.85 -1.25 0.73 115.31 121.59 1iv4 h LEU 1077Ca 0.04 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1iv4 h LEU 1077Cb 0.76 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1iv4 h LEU 1077CO 0.05 0.01 -0.15 0.03 -0.34 0.00 0.00 178.44 178.05 1iv4 h ARG 1078N 0.20 0.77 -0.54 1.25 3.08 -0.97 -0.14 114.38 118.03 1iv4 h ARG 1078Ca 0.22 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1iv4 h ARG 1078Cb 0.30 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1iv4 h ARG 1078CO -0.31 0.87 0.03 1.49 -1.07 0.00 0.00 179.97 180.98 1iv4 h GLU 1079N 0.69 0.93 -0.91 0.04 4.57 -0.73 0.11 114.58 119.29 1iv4 h GLU 1079Ca 0.11 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1iv4 h GLU 1079Cb 0.63 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 1iv4 h GLU 1079CO 0.04 0.93 0.57 0.00 -1.18 0.00 0.00 179.01 179.37 1iv4 h ALA 1080N 0.96 1.30 -0.30 2.92 0.00 -0.47 0.57 119.26 124.25 1iv4 h ALA 1080Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1iv4 h ALA 1080Cb 0.49 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1iv4 h ALA 1080CO 0.02 0.62 0.18 0.52 0.00 0.00 0.00 179.25 180.59 1iv4 h MET 1081N 1.24 0.41 -0.32 0.00 2.86 -0.72 -1.44 114.93 116.96 1iv4 h MET 1081Ca 0.33 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.99 1iv4 h MET 1081Cb -0.09 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.43 1iv4 h MET 1081CO -0.07 0.32 -0.01 -0.09 1.06 0.00 0.00 176.91 178.12 1iv4 h ARG 1082N 0.38 0.08 -0.56 1.72 2.43 -0.09 -0.60 114.38 117.73 1iv4 h ARG 1082Ca 0.11 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1iv4 h ARG 1082Cb 0.02 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1iv4 h ARG 1082CO -0.02 0.05 0.31 -0.07 -1.51 0.00 0.00 179.97 178.73 1iv4 h LEU 1083N 0.08 0.70 -0.25 3.80 3.38 -0.56 -0.47 115.31 121.98 1iv4 h LEU 1083Ca 0.15 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 1iv4 h LEU 1083Cb 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1iv4 h LEU 1083CO -0.27 0.58 -0.87 -0.37 0.09 0.00 0.00 178.44 177.61 1iv4 h VAL 1084N 0.76 1.40 -0.92 1.22 -1.51 -1.13 -2.99 116.25 113.07 1iv4 h VAL 1084Ca 0.20 -2.36 0.01 0.00 -1.23 0.00 0.00 66.70 63.32 1iv4 h VAL 1084Cb 0.04 2.32 -0.05 0.00 -2.13 0.00 0.00 31.29 31.47 1iv4 h VAL 1084CO -0.03 0.70 0.60 -0.33 -1.23 0.00 0.00 177.57 177.29 1iv4 h GLU 1085N 0.24 1.22 0.00 5.19 5.08 -1.00 -0.94 114.58 124.37 1iv4 h GLU 1085Ca -0.06 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1iv4 h GLU 1085Cb 1.48 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1iv4 h GLU 1085CO 0.15 0.81 -0.03 0.00 -1.00 0.00 0.00 179.01 178.94 1iv4 h ALA 1086N 1.41 1.22 -0.66 3.43 0.00 -0.94 -1.62 119.26 122.11 1iv4 h ALA 1086Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1iv4 h ALA 1086Cb -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1iv4 h ALA 1086CO -0.07 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.75 1iv4 n ARG 1087N -3.44 2.77 -0.21 0.00 1.74 -0.46 -4.92 116.66 112.13 1iv4 n ARG 1087Ca -0.02 -2.46 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 1iv4 n ARG 1087Cb 0.14 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1iv4 n ARG 1087CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iv4 n GLY 1088N 1.46 0.87 3.77 -0.13 0.00 -0.61 -5.06 105.19 105.50 1iv4 n GLY 1088Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1iv4 n GLY 1088CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iv4 s ALA 1089N -2.03 3.38 -0.31 4.61 0.00 -0.57 -4.97 121.76 121.87 1iv4 s ALA 1089Ca 0.00 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.28 1iv4 s ALA 1089Cb 0.00 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.71 1iv4 s ALA 1089CO 0.00 -0.80 0.01 0.15 0.00 0.00 0.00 175.76 175.12 1iv4 s LYS 1090N -2.08 1.55 0.25 0.00 1.02 -1.26 -4.50 119.74 114.73 1iv4 s LYS 1090Ca 0.54 -1.58 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 1iv4 s LYS 1090Cb -0.40 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 33.88 1iv4 s LYS 1090CO 0.52 -0.83 1.46 -1.17 -0.92 0.00 0.00 175.35 174.41 1iv4 s LEU 1091N 1.08 4.38 -0.12 3.17 2.96 -1.26 0.11 118.68 129.00 1iv4 s LEU 1091Ca 0.05 2.70 0.03 0.00 -0.22 0.00 0.00 54.13 56.69 1iv4 s LEU 1091Cb -0.19 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 42.78 1iv4 s LEU 1091CO -0.09 -0.73 -0.09 -0.11 -1.32 0.00 0.00 176.35 174.01 1iv4 n LEU 1092N 2.36 2.41 -3.57 -0.68 7.94 -0.04 -4.86 117.00 120.58 1iv4 n LEU 1092Ca 0.07 -0.06 -0.13 0.00 -1.11 0.00 0.00 56.01 54.79 1iv4 n LEU 1092Cb 0.40 -0.32 -0.06 0.00 0.53 0.00 0.00 43.42 43.97 1iv4 n LEU 1092CO 0.61 0.63 0.65 -1.58 -1.11 0.00 0.00 177.39 176.59 1iv4 s GLN 1093N -2.26 0.74 -0.05 1.96 0.74 -0.96 -4.86 119.66 114.97 1iv4 s GLN 1093Ca -0.15 0.25 -0.00 0.00 0.05 0.00 0.00 55.36 55.51 1iv4 s GLN 1093Cb 0.04 0.35 0.03 0.00 1.10 0.00 0.00 33.01 34.53 1iv4 s GLN 1093CO 0.32 -0.22 -0.02 0.00 -0.55 0.00 0.00 175.29 174.83 1iv4 s ALA 1094N -0.97 0.62 -0.13 1.58 0.00 -0.64 -1.66 121.76 120.55 1iv4 s ALA 1094Ca -0.04 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1iv4 s ALA 1094Cb -0.01 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1iv4 s ALA 1094CO 0.04 -0.22 -0.18 0.45 0.00 0.00 0.00 175.76 175.85 1iv4 s SER 1095N 1.39 2.79 0.05 0.00 0.15 0.04 -0.28 113.70 117.84 1iv4 s SER 1095Ca -0.04 -0.52 -0.07 0.00 0.70 0.00 0.00 55.95 56.02 1iv4 s SER 1095Cb -0.13 -1.27 -0.01 0.00 -1.71 0.00 0.00 66.02 62.90 1iv4 s SER 1095CO -0.03 0.03 0.14 -1.48 1.20 0.00 0.00 173.24 173.11 1iv4 s LEU 1096N 0.99 1.63 -0.08 3.45 2.34 0.68 -0.64 118.68 127.04 1iv4 s LEU 1096Ca -0.05 -0.55 0.04 0.00 0.06 0.00 0.00 54.13 53.63 1iv4 s LEU 1096Cb -0.15 0.79 -0.01 0.00 -0.56 0.00 0.00 46.19 46.26 1iv4 s LEU 1096CO -0.03 -0.59 -0.23 -0.69 -1.06 0.00 0.00 176.35 173.75 1iv4 s VAL 1097N -3.04 2.24 -0.16 1.48 1.01 -0.17 -1.92 120.40 119.84 1iv4 s VAL 1097Ca -0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1iv4 s VAL 1097Cb 0.01 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1iv4 s VAL 1097CO -0.07 0.56 -0.02 -0.76 0.00 0.00 0.00 175.10 174.81 1iv4 s LEU 1098N 0.07 3.29 -0.24 3.92 1.43 -0.41 -2.04 118.68 124.71 1iv4 s LEU 1098Ca -0.10 -0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 1iv4 s LEU 1098Cb -0.16 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1iv4 s LEU 1098CO 0.06 0.15 0.02 -0.89 0.23 0.00 0.00 176.35 175.92 1iv4 s THR 1099N 0.46 3.83 -0.29 5.49 2.01 0.29 -0.82 115.64 126.62 1iv4 s THR 1099Ca -0.03 -0.39 -0.23 0.00 0.31 0.00 0.00 61.69 61.35 1iv4 s THR 1099Cb -0.14 -2.80 0.13 0.00 0.01 0.00 0.00 72.50 69.70 1iv4 s THR 1099CO 0.03 0.34 1.07 -1.48 -0.69 0.00 0.00 174.62 173.89 1iv4 s LEU 1100N 1.54 -0.41 0.10 4.42 2.34 0.22 -1.33 118.68 125.56 1iv4 s LEU 1100Ca 0.06 0.77 -0.13 0.00 0.06 0.00 0.00 54.13 54.88 1iv4 s LEU 1100Cb -0.15 1.76 -0.11 0.00 -0.56 0.00 0.00 46.19 47.13 1iv4 s LEU 1100CO 0.00 -0.13 1.37 0.44 -1.06 0.00 0.00 176.35 176.97 1iv4 h ASP 1101N 4.41 0.88 -5.11 1.48 5.19 -1.81 -3.36 116.42 118.09 1iv4 h ASP 1101Ca -0.28 -0.55 -0.08 0.00 -0.62 0.00 0.00 57.03 55.50 1iv4 h ASP 1101Cb 1.18 -0.25 -0.15 0.00 0.18 0.00 0.00 39.33 40.29 1iv4 h ASP 1101CO 0.13 1.27 -0.28 0.00 -3.12 0.00 0.00 179.24 177.24 1iv4 s ARG 1102N -4.06 0.87 0.98 3.56 1.70 -1.26 -4.69 118.95 116.06 1iv4 s ARG 1102Ca -0.11 -0.77 -0.16 0.00 -0.47 0.00 0.00 55.73 54.22 1iv4 s ARG 1102Cb 0.09 0.37 0.20 0.00 -0.57 0.00 0.00 34.95 35.04 1iv4 s ARG 1102CO 0.87 -0.29 1.27 -1.25 -1.08 0.00 0.00 175.30 174.82 1iv4 s PRO 1103N -3.43 0.52 0.10 3.89 0.04 -1.26 -4.91 135.00 129.94 1iv4 s PRO 1103Ca 0.01 -0.28 -0.31 0.00 0.04 0.00 0.00 61.00 60.46 1iv4 s PRO 1103Cb 0.02 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 1iv4 s PRO 1103CO -0.09 -2.52 1.46 0.15 0.04 0.00 0.00 177.00 176.05 1iv4 s LYS 1104N -5.77 4.28 0.08 4.56 1.02 -1.26 -4.91 119.74 117.73 1iv4 s LYS 1104Ca 0.72 2.14 0.23 0.00 0.02 0.00 0.00 55.97 59.08 1iv4 s LYS 1104Cb -0.06 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1iv4 s LYS 1104CO 0.53 -0.54 0.98 1.28 -0.92 0.00 0.00 175.35 176.68 1iv4 n LEU 1105N 4.46 0.59 -0.29 3.17 4.77 -1.26 -4.38 117.00 124.06 1iv4 n LEU 1105Ca 0.13 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.30 1iv4 n LEU 1105Cb 0.42 -0.08 0.29 0.00 -2.33 0.00 0.00 43.42 41.71 1iv4 n LEU 1105CO 0.60 -0.01 0.99 1.23 -1.33 0.00 0.00 177.39 178.86 1iv4 h GLY 1106N 4.37 1.40 2.00 -0.72 0.00 -2.00 0.24 103.07 108.36 1iv4 h GLY 1106Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1iv4 h GLY 1106CO 0.00 -0.30 0.00 -1.05 0.00 0.00 0.00 176.54 175.19 1iv4 n PRO 1107N -5.14 0.08 -0.11 4.80 -0.02 -1.26 -2.20 135.00 131.15 1iv4 n PRO 1107Ca 0.21 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 62.12 1iv4 n PRO 1107Cb 0.65 -1.65 0.14 0.00 -0.02 0.00 0.00 33.50 32.62 1iv4 n PRO 1107CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1iv4 n HIS 1108N -1.80 0.29 -0.01 6.00 8.25 0.80 -4.70 115.22 124.05 1iv4 n HIS 1108Ca 0.03 -0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.21 1iv4 n HIS 1108Cb 0.18 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1iv4 n HIS 1108CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1iv4 h ARG 1109N 3.56 -0.22 -0.51 -0.41 2.43 -1.06 -0.05 114.38 118.12 1iv4 h ARG 1109Ca 0.00 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1iv4 h ARG 1109Cb 0.82 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 1iv4 h ARG 1109CO 0.00 -0.15 0.28 -0.22 -1.51 0.00 0.00 179.97 178.37 1iv4 h LYS 1110N -0.23 0.53 -0.65 0.20 3.64 -1.84 -0.13 116.57 118.09 1iv4 h LYS 1110Ca 0.11 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1iv4 h LYS 1110Cb 0.39 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1iv4 h LYS 1110CO -0.29 0.35 0.18 0.00 -2.27 0.00 0.00 179.45 177.42 1iv4 h ALA 1111N 1.25 1.08 -0.18 5.00 0.00 -1.70 0.10 119.26 124.83 1iv4 h ALA 1111Ca 0.21 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1iv4 h ALA 1111Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1iv4 h ALA 1111CO -0.13 0.62 -0.18 -0.07 0.00 0.00 0.00 179.25 179.49 1iv4 h LEU 1112N 0.97 0.46 -0.65 0.00 3.38 -0.44 -1.16 115.31 117.88 1iv4 h LEU 1112Ca 0.21 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1iv4 h LEU 1112Cb 0.31 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1iv4 h LEU 1112CO -0.00 0.85 0.13 0.58 0.09 0.00 0.00 178.44 180.08 1iv4 h VAL 1113N 0.08 1.26 -0.79 1.22 2.07 -0.99 -1.62 116.25 117.48 1iv4 h VAL 1113Ca 0.03 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.62 1iv4 h VAL 1113Cb 0.72 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1iv4 h VAL 1113CO 0.04 0.37 0.48 0.44 0.02 0.00 0.00 177.57 178.92 1iv4 h ASP 1114N 0.98 0.74 0.04 0.57 3.32 -0.69 0.14 116.42 121.52 1iv4 h ASP 1114Ca 0.20 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1iv4 h ASP 1114Cb 0.40 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1iv4 h ASP 1114CO 0.01 0.48 -0.02 -1.28 -1.72 0.00 0.00 179.24 176.71 1iv4 h SER 1115N 0.88 -0.05 -0.78 6.45 0.87 -0.89 -0.50 113.55 119.53 1iv4 h SER 1115Ca 0.35 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.80 1iv4 h SER 1115Cb 0.17 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1iv4 h SER 1115CO -0.17 0.03 0.30 -0.07 -0.53 0.00 0.00 176.83 176.38 1iv4 h LEU 1116N -0.12 1.09 -0.93 2.23 3.38 -1.05 -0.74 115.31 119.16 1iv4 h LEU 1116Ca -0.01 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1iv4 h LEU 1116Cb 0.11 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1iv4 h LEU 1116CO 0.01 0.98 0.62 -1.28 0.09 0.00 0.00 178.44 178.85 1iv4 h SER 1117N 1.15 1.07 -0.17 -0.43 0.87 -0.81 0.25 113.55 115.48 1iv4 h SER 1117Ca 0.26 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1iv4 h SER 1117Cb 0.24 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1iv4 h SER 1117CO -0.02 0.78 -0.19 -0.09 -0.53 0.00 0.00 176.83 176.78 1iv4 h ARG 1118N 1.27 0.43 -0.29 2.24 2.43 -0.60 -0.95 114.38 118.91 1iv4 h ARG 1118Ca 0.34 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1iv4 h ARG 1118Cb -0.14 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1iv4 h ARG 1118CO -0.07 0.81 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.12 1iv4 h LEU 1119N 0.08 0.51 -1.05 3.80 4.07 -1.09 -3.12 115.31 118.50 1iv4 h LEU 1119Ca 0.02 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1iv4 h LEU 1119Cb 0.74 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1iv4 h LEU 1119CO 0.05 0.70 0.00 0.23 -1.08 0.00 0.00 178.44 178.33 1iv4 n MET 1120N -4.57 1.71 -3.83 1.13 2.81 0.07 -4.95 117.12 109.49 1iv4 n MET 1120Ca -0.03 -1.04 -0.23 0.00 -1.81 0.00 0.00 57.70 54.58 1iv4 n MET 1120Cb 0.26 -1.46 0.01 0.00 -0.71 0.00 0.00 33.22 31.32 1iv4 n MET 1120CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1iv4 n ARG 1121N 0.26 -4.04 -4.60 0.03 1.74 -0.43 -4.99 116.66 104.63 1iv4 n ARG 1121Ca 0.18 0.51 -0.29 0.00 -0.77 0.00 0.00 57.85 57.47 1iv4 n ARG 1121Cb 0.36 -4.83 -0.14 0.00 -1.02 0.00 0.00 32.46 26.83 1iv4 n ARG 1121CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iv4 s LEU 1122N -6.82 2.26 0.80 0.55 1.43 -0.77 -5.05 118.68 111.09 1iv4 s LEU 1122Ca 0.01 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.32 1iv4 s LEU 1122Cb -0.00 -1.25 0.08 0.00 0.03 0.00 0.00 46.19 45.04 1iv4 s LEU 1122CO 0.85 0.21 1.10 -2.16 0.23 0.00 0.00 176.35 176.59 1iv4 s PRO 1123N -1.72 1.99 0.51 1.29 0.04 -1.26 -4.58 135.00 131.27 1iv4 s PRO 1123Ca 0.13 1.23 0.26 0.00 0.04 0.00 0.00 61.00 62.66 1iv4 s PRO 1123Cb -0.10 -1.86 1.37 0.00 0.04 0.00 0.00 34.50 33.94 1iv4 s PRO 1123CO 0.04 -1.85 2.04 1.96 0.04 0.00 0.00 177.00 179.24 1iv4 h GLN 1124N -1.28 0.00 0.00 4.56 4.20 -1.95 -0.09 115.11 120.56 1iv4 h GLN 1124Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1iv4 h GLN 1124Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1iv4 h GLN 1124CO 0.50 0.14 0.00 -0.40 -0.67 0.00 0.00 178.83 178.39 1iv4 n ASP 1125N -3.68 0.00 -0.67 1.46 5.68 -1.26 -2.67 116.55 115.41 1iv4 n ASP 1125Ca -0.02 0.28 0.06 0.00 -0.50 0.00 0.00 54.79 54.61 1iv4 n ASP 1125Cb 0.26 -0.41 0.15 0.00 -1.14 0.00 0.00 41.12 39.97 1iv4 n ASP 1125CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1iv4 n ARG 1126N -1.41 2.45 -3.68 0.11 5.12 -0.05 -4.82 116.66 114.38 1iv4 n ARG 1126Ca 0.07 -1.94 -0.39 0.00 -1.93 0.00 0.00 57.85 53.66 1iv4 n ARG 1126Cb 0.21 -1.29 -0.12 0.00 -1.16 0.00 0.00 32.46 30.11 1iv4 n ARG 1126CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1iv4 s ILE 1127N -1.00 4.33 -0.61 0.55 -1.09 -1.09 -1.62 121.20 120.66 1iv4 s ILE 1127Ca 0.23 -0.71 -0.05 0.00 -2.23 0.00 0.00 60.65 57.90 1iv4 s ILE 1127Cb 0.13 -3.31 0.16 0.00 -1.58 0.00 0.00 42.46 37.86 1iv4 s ILE 1127CO 0.17 -0.05 0.44 -0.83 -1.23 0.00 0.00 174.94 173.44 1iv4 s GLY 1128N 1.54 2.43 -0.18 6.18 0.00 0.62 -5.00 107.32 112.90 1iv4 s GLY 1128Ca 0.03 -3.12 -0.05 0.00 0.00 0.00 0.00 44.72 41.57 1iv4 s GLY 1128CO 0.05 1.11 0.00 -2.27 0.00 0.00 0.00 173.10 171.99 1iv4 s LEU 1129N 0.22 3.35 0.10 0.66 2.96 -1.26 -0.23 118.68 124.48 1iv4 s LEU 1129Ca 0.15 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1iv4 s LEU 1129Cb -0.20 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1iv4 s LEU 1129CO -0.04 0.11 -0.13 0.42 -1.32 0.00 0.00 176.35 175.40 1iv4 s THR 1130N 0.70 1.13 0.06 3.68 -4.23 -0.81 -5.00 115.64 111.18 1iv4 s THR 1130Ca -0.00 -1.59 0.09 0.00 -1.18 0.00 0.00 61.69 59.02 1iv4 s THR 1130Cb -0.14 -1.35 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 1iv4 s THR 1130CO 0.02 -0.42 -0.26 -0.36 -0.54 0.00 0.00 174.62 173.06 1iv4 s PHE 1131N -2.04 2.34 0.04 3.99 0.08 -1.26 -1.28 117.98 119.84 1iv4 s PHE 1131Ca 0.05 -0.40 -0.07 0.00 0.12 0.00 0.00 56.93 56.63 1iv4 s PHE 1131Cb -0.05 -1.37 -0.00 0.00 -0.57 0.00 0.00 43.02 41.02 1iv4 s PHE 1131CO 0.02 0.17 0.14 0.15 -0.10 0.00 0.00 175.22 175.60 1iv4 s LYS 1132N -1.40 0.63 0.78 0.44 -0.14 0.00 -4.94 119.74 115.11 1iv4 s LYS 1132Ca 0.12 -0.68 -0.08 0.00 -1.36 0.00 0.00 55.97 53.98 1iv4 s LYS 1132Cb -0.10 0.25 0.11 0.00 -1.68 0.00 0.00 37.83 36.41 1iv4 s LYS 1132CO 0.03 -0.17 1.09 0.95 -0.76 0.00 0.00 175.35 176.49 1iv4 s THR 1133N -2.52 2.17 -2.53 2.17 -4.23 -1.26 -0.61 115.64 108.83 1iv4 s THR 1133Ca -0.06 -0.27 0.26 0.00 -1.18 0.00 0.00 61.69 60.45 1iv4 s THR 1133Cb -0.01 -2.90 0.39 0.00 1.34 0.00 0.00 72.50 71.31 1iv4 s THR 1133CO -0.04 0.00 1.55 -1.54 -0.54 0.00 0.00 174.62 174.05 1iv4 n SER 1134N -3.13 1.89 -2.78 3.99 3.41 -1.26 -4.67 113.62 111.07 1iv4 n SER 1134Ca 0.11 -1.57 -0.18 0.00 -0.26 0.00 0.00 58.87 56.97 1iv4 n SER 1134Cb 0.60 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1iv4 n SER 1134CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iv4 n GLU 1135N 0.40 -2.97 -0.36 4.33 -0.58 -1.26 -1.37 120.64 118.83 1iv4 n GLU 1135Ca 0.16 0.68 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 1iv4 n GLU 1135Cb 0.43 -5.37 0.00 0.00 -0.57 0.00 0.00 31.44 25.93 1iv4 n GLU 1135CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iv4 n GLY 1136N -1.07 1.04 0.14 0.62 0.00 -1.26 -4.91 105.19 99.76 1iv4 n GLY 1136Ca -0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.92 1iv4 n GLY 1136CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iv4 h LEU 1137N 0.00 0.00 -5.25 0.99 5.85 -1.63 -3.39 115.31 111.88 1iv4 h LEU 1137Ca 0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 1iv4 h LEU 1137Cb 0.00 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 40.82 1iv4 h LEU 1137CO 0.00 0.54 -0.64 0.00 -0.34 0.00 0.00 178.44 178.00 1iv4 n ALA 1138N -2.27 -0.33 0.38 1.25 0.00 -1.26 -4.99 120.51 113.28 1iv4 n ALA 1138Ca 0.01 -1.92 0.12 0.00 0.00 0.00 0.00 53.44 51.65 1iv4 n ALA 1138Cb 0.69 -1.17 0.52 0.00 0.00 0.00 0.00 19.45 19.48 1iv4 n ALA 1138CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1iv4 h PRO 1139N 3.70 0.00 -0.14 0.00 0.13 -1.93 -2.84 132.00 130.91 1iv4 h PRO 1139Ca -0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1iv4 h PRO 1139Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1iv4 h PRO 1139CO 0.32 0.00 -0.04 0.43 -0.23 0.00 0.00 178.00 178.48 1iv4 n SER 1140N -2.32 2.95 -4.17 1.44 7.64 -1.26 -4.78 113.62 113.12 1iv4 n SER 1140Ca 0.02 -3.18 -0.12 0.00 1.01 0.00 0.00 58.87 56.59 1iv4 n SER 1140Cb 0.23 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.82 1iv4 n SER 1140CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1iv4 s HIS 1141N -2.92 0.98 -0.15 1.43 3.76 -1.07 0.07 115.29 117.39 1iv4 s HIS 1141Ca 0.38 -0.78 -0.06 0.00 -0.15 0.00 0.00 55.06 54.44 1iv4 s HIS 1141Cb 0.32 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 33.43 1iv4 s HIS 1141CO 0.04 -0.06 0.08 0.54 -0.85 0.00 0.00 174.74 174.49 1iv4 s VAL 1142N -3.05 4.94 0.07 -0.90 0.11 -0.66 -4.59 120.40 116.31 1iv4 s VAL 1142Ca 0.09 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.21 1iv4 s VAL 1142Cb 0.01 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.66 1iv4 s VAL 1142CO -0.02 0.53 -0.17 -1.10 -3.33 0.00 0.00 175.10 171.01 1iv4 s GLN 1143N -0.27 1.05 -0.01 1.54 -0.21 -0.44 -1.31 119.66 120.01 1iv4 s GLN 1143Ca 0.09 -0.96 0.01 0.00 0.02 0.00 0.00 55.36 54.52 1iv4 s GLN 1143Cb -0.12 -1.16 0.01 0.00 1.00 0.00 0.00 33.01 32.74 1iv4 s GLN 1143CO 0.01 0.28 -0.03 0.00 -2.12 0.00 0.00 175.29 173.43 1iv4 s ALA 1144N -1.03 0.32 -0.06 6.09 0.00 0.10 -0.55 121.76 126.63 1iv4 s ALA 1144Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1iv4 s ALA 1144Cb -0.09 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1iv4 s ALA 1144CO 0.02 0.04 -0.11 1.03 0.00 0.00 0.00 175.76 176.74 1iv4 s ARG 1145N 0.21 1.52 -0.01 0.00 0.52 -0.86 -0.83 118.95 119.50 1iv4 s ARG 1145Ca -0.02 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 1iv4 s ARG 1145Cb -0.05 -1.29 -0.01 0.00 0.52 0.00 0.00 34.95 34.12 1iv4 s ARG 1145CO -0.00 0.04 -0.10 0.00 0.02 0.00 0.00 175.30 175.26 1iv4 s ALA 1146N 0.60 0.79 -0.05 2.13 0.00 0.34 -0.99 121.76 124.59 1iv4 s ALA 1146Ca -0.12 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.47 1iv4 s ALA 1146Cb -0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1iv4 s ALA 1146CO 0.03 0.19 -0.20 0.08 0.00 0.00 0.00 175.76 175.86 1iv4 s VAL 1147N -0.25 2.54 0.09 0.00 1.01 0.19 -1.17 120.40 122.81 1iv4 s VAL 1147Ca 0.03 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1iv4 s VAL 1147Cb -0.04 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1iv4 s VAL 1147CO -0.00 0.58 -0.24 0.68 0.00 0.00 0.00 175.10 176.11 1iv4 s VAL 1148N -0.51 1.99 -0.09 2.92 -7.23 -0.23 -0.78 120.40 116.49 1iv4 s VAL 1148Ca 0.07 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1iv4 s VAL 1148Cb -0.11 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.08 1iv4 s VAL 1148CO 0.01 0.14 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.52 1iv4 s LEU 1149N -1.67 1.95 0.02 1.32 2.96 -0.66 -1.52 118.68 121.07 1iv4 s LEU 1149Ca 0.10 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1iv4 s LEU 1149Cb -0.10 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.36 1iv4 s LEU 1149CO 0.04 0.12 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.33 1iv4 s LEU 1150N 0.41 2.11 0.00 -0.68 1.02 -0.03 -0.86 118.68 120.65 1iv4 s LEU 1150Ca -0.17 -0.32 0.00 0.00 0.02 0.00 0.00 54.13 53.66 1iv4 s LEU 1150Cb -0.17 -0.45 0.00 0.00 0.02 0.00 0.00 46.19 45.59 1iv4 s LEU 1150CO 0.07 0.03 0.00 0.47 0.02 0.00 0.00 176.35 176.94