#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6z h PHE 1004N 0.00 0.06 -0.13 7.33 3.57 -2.00 -2.17 116.94 123.60 1k6z h PHE 1004Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1k6z h PHE 1004Cb 0.00 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 1k6z h PHE 1004CO 0.00 0.18 -0.30 0.93 -2.23 0.00 0.00 178.31 176.89 1k6z h GLU 1005N -0.08 -0.37 -0.56 1.11 3.07 -1.99 -2.32 114.58 113.44 1k6z h GLU 1005Ca 0.01 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1k6z h GLU 1005Cb 0.15 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 1k6z h GLU 1005CO -0.00 -0.24 0.37 1.96 -1.40 0.00 0.00 179.01 179.70 1k6z h GLN 1006N -0.38 0.74 -0.24 2.33 4.20 -1.97 -0.37 115.11 119.42 1k6z h GLN 1006Ca 0.10 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.82 1k6z h GLN 1006Cb 0.53 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.08 1k6z h GLN 1006CO -0.34 0.49 -0.19 0.00 -0.67 0.00 0.00 178.83 178.12 1k6z h ALA 1007N 1.21 -0.04 -0.63 3.87 0.00 -1.20 0.39 119.26 122.86 1k6z h ALA 1007Ca 0.21 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1k6z h ALA 1007Cb -0.09 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1k6z h ALA 1007CO -0.04 -0.61 0.23 0.82 0.00 0.00 0.00 179.25 179.64 1k6z h ILE 1008N -0.19 1.24 -0.24 0.00 1.08 -1.19 -0.99 117.51 117.22 1k6z h ILE 1008Ca 0.14 -0.78 0.05 0.00 -0.39 0.00 0.00 64.86 63.87 1k6z h ILE 1008Cb 0.39 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 1k6z h ILE 1008CO -0.35 0.30 -0.06 0.74 -0.69 0.00 0.00 178.15 178.10 1k6z h THR 1009N 0.89 0.76 -0.61 -0.27 2.02 -0.37 0.15 112.91 115.48 1k6z h THR 1009Ca 0.21 -0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 1k6z h THR 1009Cb 0.25 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1k6z h THR 1009CO -0.01 0.00 0.21 -0.61 0.37 0.00 0.00 175.52 175.48 1k6z h GLN 1010N 0.00 0.92 -0.37 6.66 4.15 -0.57 -1.53 115.11 124.37 1k6z h GLN 1010Ca 0.11 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1k6z h GLN 1010Cb 0.17 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1k6z h GLN 1010CO -0.24 0.78 0.16 1.25 -1.93 0.00 0.00 178.83 178.85 1k6z h LEU 1011N 0.90 0.49 -0.11 -2.39 5.85 -0.54 -1.21 115.31 118.29 1k6z h LEU 1011Ca 0.20 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1k6z h LEU 1011Cb 0.23 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1k6z h LEU 1011CO -0.01 0.50 -0.08 -0.26 -0.34 0.00 0.00 178.44 178.25 1k6z h PHE 1012N 0.45 -0.18 -0.87 1.25 0.04 -0.37 0.21 116.94 117.47 1k6z h PHE 1012Ca 0.12 0.01 0.14 0.00 2.80 0.00 0.00 57.97 61.05 1k6z h PHE 1012Cb 0.15 0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.33 1k6z h PHE 1012CO -0.01 -0.12 0.56 1.96 -0.60 0.00 0.00 178.31 180.11 1k6z h GLN 1013N -0.08 0.64 0.00 1.51 4.20 -1.13 0.25 115.11 120.50 1k6z h GLN 1013Ca 0.07 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 1k6z h GLN 1013Cb 0.18 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1k6z h GLN 1013CO -0.16 0.42 -0.72 1.96 -0.67 0.00 0.00 178.83 179.67 1k6z h GLN 1014N 0.66 0.00 -0.02 1.46 4.20 0.11 -2.79 115.11 118.73 1k6z h GLN 1014Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1k6z h GLN 1014Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1k6z h GLN 1014CO -0.19 0.72 0.00 1.28 -0.67 0.00 0.00 178.83 179.97 1k6z n LEU 1015N -3.65 1.10 -3.62 1.46 4.77 0.59 -4.94 117.00 112.71 1k6z n LEU 1015Ca -0.01 -0.38 -0.24 0.00 -0.03 0.00 0.00 56.01 55.35 1k6z n LEU 1015Cb 0.71 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.86 1k6z n LEU 1015CO 0.43 0.19 0.22 -1.20 -1.33 0.00 0.00 177.39 175.70 1k6z n SER 1016N -0.13 -5.83 -4.55 -1.43 7.64 0.64 -4.82 113.62 105.14 1k6z n SER 1016Ca 0.20 -0.58 -0.34 0.00 1.01 0.00 0.00 58.87 59.16 1k6z n SER 1016Cb 0.29 -4.91 -0.12 0.00 -1.01 0.00 0.00 64.21 58.46 1k6z n SER 1016CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1k6z s LEU 1017N -7.23 3.19 0.70 -3.43 1.43 -0.75 -5.04 118.68 107.56 1k6z s LEU 1017Ca 0.54 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.44 1k6z s LEU 1017Cb -0.24 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1k6z s LEU 1017CO 0.74 0.30 1.13 -0.94 0.23 0.00 0.00 176.35 177.81 1k6z s SER 1018N -0.42 4.69 -0.31 2.29 1.04 -1.26 -4.27 113.70 115.45 1k6z s SER 1018Ca 0.06 2.07 -0.27 0.00 0.48 0.00 0.00 55.95 58.30 1k6z s SER 1018Cb -0.12 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.45 1k6z s SER 1018CO 0.02 -1.92 0.96 -0.63 0.98 0.00 0.00 173.24 172.66 1k6z s ILE 1019N -2.34 4.62 -0.06 -1.02 -1.09 -1.26 -4.96 121.20 115.08 1k6z s ILE 1019Ca 0.68 1.52 0.00 0.00 -2.23 0.00 0.00 60.65 60.62 1k6z s ILE 1019Cb -0.22 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 1k6z s ILE 1019CO 0.45 -0.39 0.69 -2.65 -1.23 0.00 0.00 174.94 171.81 1k6z n PRO 1020N 6.60 0.71 0.00 2.79 -0.02 -1.26 -4.84 135.00 138.98 1k6z n PRO 1020Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1k6z n PRO 1020Cb 0.47 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1k6z n PRO 1020CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1k6z n ASP 1021N 0.61 0.00 -3.18 2.55 -0.08 -1.26 -4.60 116.55 110.59 1k6z n ASP 1021Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 1k6z n ASP 1021Cb 0.35 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.80 1k6z n ASP 1021CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1k6z s THR 1022N 0.00 -0.96 -0.09 5.18 2.01 -1.26 -5.13 115.64 115.39 1k6z s THR 1022Ca 0.00 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 1k6z s THR 1022Cb 0.00 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1k6z s THR 1022CO 0.00 -0.04 1.66 -0.63 -0.69 0.00 0.00 174.62 174.92 1k6z s ILE 1023N 2.61 3.60 0.56 1.82 1.09 -1.26 -5.00 121.20 124.62 1k6z s ILE 1023Ca 0.11 0.71 -0.08 0.00 -1.10 0.00 0.00 60.65 60.29 1k6z s ILE 1023Cb -0.09 -3.49 -0.03 0.00 -1.06 0.00 0.00 42.46 37.78 1k6z s ILE 1023CO -0.23 -0.10 0.92 -1.61 -0.10 0.00 0.00 174.94 173.82 1k6z s GLU 1024N 4.19 3.53 0.26 2.79 0.41 -1.26 -5.00 118.70 123.62 1k6z s GLU 1024Ca 0.74 0.47 -0.03 0.00 -0.41 0.00 0.00 54.97 55.74 1k6z s GLU 1024Cb -0.32 -2.22 0.34 0.00 -1.78 0.00 0.00 34.13 30.16 1k6z s GLU 1024CO 0.29 -0.43 1.83 -1.00 -0.49 0.00 0.00 175.26 175.46 1k6z h PRO 1025N -0.09 0.95 -4.92 0.39 0.13 -1.94 -3.38 132.00 123.15 1k6z h PRO 1025Ca -0.45 -0.17 -0.67 0.00 -0.87 0.00 0.00 66.00 63.83 1k6z h PRO 1025Cb 1.20 -0.16 -0.31 0.00 0.13 0.00 0.00 31.00 31.87 1k6z h PRO 1025CO 0.62 0.80 -0.73 0.08 -0.23 0.00 0.00 178.00 178.54 1k6z s VAL 1026N -5.38 3.05 -0.20 1.56 1.01 -1.26 -4.12 120.40 115.07 1k6z s VAL 1026Ca -0.11 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1k6z s VAL 1026Cb 0.16 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1k6z s VAL 1026CO 0.81 0.25 0.08 -0.63 0.00 0.00 0.00 175.10 175.60 1k6z s ILE 1027N 1.37 4.75 -0.11 2.22 1.01 0.11 -4.90 121.20 125.65 1k6z s ILE 1027Ca 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 1k6z s ILE 1027Cb -0.16 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1k6z s ILE 1027CO -0.04 0.42 0.35 -0.83 0.00 0.00 0.00 174.94 174.84 1k6z s GLY 1028N 0.73 2.32 -0.02 6.18 0.00 -1.26 0.15 107.32 115.42 1k6z s GLY 1028Ca 0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 44.72 44.41 1k6z s GLY 1028CO 0.02 0.37 0.03 0.14 0.00 0.00 0.00 173.10 173.66 1k6z s VAL 1029N -0.02 -0.05 -0.20 1.40 1.01 -0.53 -2.62 120.40 119.40 1k6z s VAL 1029Ca 0.20 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 1k6z s VAL 1029Cb -0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1k6z s VAL 1029CO 0.08 0.10 0.10 -0.75 0.00 0.00 0.00 175.10 174.62 1k6z s LYS 1030N 1.10 4.06 -0.26 2.72 2.20 0.26 -0.71 119.74 129.11 1k6z s LYS 1030Ca -0.09 -0.29 0.03 0.00 -0.36 0.00 0.00 55.97 55.26 1k6z s LYS 1030Cb -0.13 -3.33 0.06 0.00 -1.51 0.00 0.00 37.83 32.92 1k6z s LYS 1030CO -0.03 0.25 -0.11 0.08 -0.36 0.00 0.00 175.35 175.18 1k6z s VAL 1031N 0.46 2.17 0.00 4.02 1.01 0.06 -1.38 120.40 126.73 1k6z s VAL 1031Ca 0.05 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1k6z s VAL 1031Cb -0.12 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1k6z s VAL 1031CO -0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1k6z n GLY 1032N 4.43 3.51 0.01 4.51 0.00 -0.03 -0.77 105.19 116.85 1k6z n GLY 1032Ca -0.14 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1k6z n GLY 1032CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1k6z n GLU 1033N 14.00 0.08 -3.10 1.61 0.28 -1.26 -4.84 120.64 127.41 1k6z n GLU 1033Ca 0.00 -0.02 -0.42 0.00 -0.16 0.00 0.00 57.16 56.56 1k6z n GLU 1033Cb 0.00 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.31 1k6z n GLU 1033CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1k6z s PHE 1034N -2.94 3.10 -0.41 -1.84 0.08 0.05 -5.03 117.98 111.00 1k6z s PHE 1034Ca 0.15 0.19 -0.29 0.00 0.12 0.00 0.00 56.93 57.10 1k6z s PHE 1034Cb 0.19 -3.26 0.02 0.00 -0.57 0.00 0.00 43.02 39.40 1k6z s PHE 1034CO 0.57 -0.75 1.09 0.00 -0.10 0.00 0.00 175.22 176.03 1k6z s ALA 1035N 2.80 3.30 0.24 5.36 0.00 -1.26 -0.76 121.76 131.44 1k6z s ALA 1035Ca 0.24 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.97 1k6z s ALA 1035Cb -0.14 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 1k6z s ALA 1035CO 0.17 -1.92 -0.05 0.00 0.00 0.00 0.00 175.76 173.96 1k6z s HIS 1037N -2.14 1.43 -0.10 0.00 3.76 -0.17 -1.45 115.29 116.62 1k6z s HIS 1037Ca 0.29 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.83 1k6z s HIS 1037Cb -0.07 -0.98 0.01 0.00 1.11 0.00 0.00 32.58 32.65 1k6z s HIS 1037CO 0.18 -0.14 -0.17 0.42 -0.85 0.00 0.00 174.74 174.18 1k6z s ILE 1038N 0.11 1.57 0.16 0.60 1.01 0.12 -0.88 121.20 123.89 1k6z s ILE 1038Ca -0.04 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 59.72 1k6z s ILE 1038Cb -0.10 -1.40 0.04 0.00 0.01 0.00 0.00 42.46 41.01 1k6z s ILE 1038CO 0.02 0.45 0.51 0.28 0.00 0.00 0.00 174.94 176.20 1k6z s THR 1039N 0.73 0.03 -0.44 2.92 -1.32 -0.01 0.07 115.64 117.62 1k6z s THR 1039Ca -0.12 -0.46 -0.17 0.00 -1.21 0.00 0.00 61.69 59.73 1k6z s THR 1039Cb -0.16 -1.25 0.04 0.00 -1.51 0.00 0.00 72.50 69.61 1k6z s THR 1039CO 0.02 -0.15 0.44 -0.70 -2.21 0.00 0.00 174.62 172.02 1k6z s GLU 1040N -3.81 3.06 -0.30 7.08 2.12 -1.26 -0.43 118.70 125.17 1k6z s GLU 1040Ca 0.04 -0.92 -0.08 0.00 0.36 0.00 0.00 54.97 54.37 1k6z s GLU 1040Cb -0.00 -4.02 0.16 0.00 0.26 0.00 0.00 34.13 30.53 1k6z s GLU 1040CO -0.09 -0.92 0.74 -1.58 -0.54 0.00 0.00 175.26 172.86 1k6z s HIS 1041N 2.06 -1.23 0.74 5.30 2.46 -0.16 -4.52 115.29 119.95 1k6z s HIS 1041Ca 0.10 1.76 -0.13 0.00 0.47 0.00 0.00 55.06 57.26 1k6z s HIS 1041Cb -0.19 0.60 0.18 0.00 -0.13 0.00 0.00 32.58 33.04 1k6z s HIS 1041CO 0.12 -0.64 0.85 -0.35 -2.47 0.00 0.00 174.74 172.25 1k6z n PRO 1042N 5.36 -1.56 -1.60 2.88 -0.04 -1.26 -4.50 135.00 134.28 1k6z n PRO 1042Ca -0.08 -1.32 -0.46 0.00 -0.04 0.00 0.00 63.50 61.61 1k6z n PRO 1042Cb 0.51 -1.02 -0.02 0.00 -0.04 0.00 0.00 33.50 32.93 1k6z n PRO 1042CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1k6z n VAL 1043N -3.62 1.60 -0.86 0.52 0.31 -1.26 -0.72 118.33 114.29 1k6z n VAL 1043Ca 0.11 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1k6z n VAL 1043Cb 0.40 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1k6z n VAL 1043CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k6z n GLY 1044N 1.51 0.89 3.14 2.92 0.00 -1.26 -5.04 105.19 107.35 1k6z n GLY 1044Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1k6z n GLY 1044CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k6z s GLN 1045N -0.14 1.23 -0.46 1.61 -1.52 0.10 -1.01 119.66 119.47 1k6z s GLN 1045Ca 0.00 -0.58 -0.19 0.00 -1.95 0.00 0.00 55.36 52.64 1k6z s GLN 1045Cb 0.00 -1.20 0.04 0.00 -0.22 0.00 0.00 33.01 31.63 1k6z s GLN 1045CO 0.00 0.33 0.56 0.42 -0.25 0.00 0.00 175.29 176.34 1k6z s ILE 1046N -0.41 4.95 0.61 1.08 -1.09 -0.18 -0.98 121.20 125.18 1k6z s ILE 1046Ca 0.06 -0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.18 1k6z s ILE 1046Cb -0.06 -4.19 0.10 0.00 -1.58 0.00 0.00 42.46 36.72 1k6z s ILE 1046CO -0.00 -0.63 0.84 -0.22 -1.23 0.00 0.00 174.94 173.69 1k6z s LEU 1047N 2.45 3.10 0.00 2.97 2.96 0.43 -2.15 118.68 128.44 1k6z s LEU 1047Ca 0.15 -0.68 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1k6z s LEU 1047Cb -0.18 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1k6z s LEU 1047CO 0.13 -1.47 0.00 2.22 -1.32 0.00 0.00 176.35 175.92 1k6z n PHE 1049N -2.40 0.00 -3.96 5.38 1.16 -0.06 -0.83 117.46 116.75 1k6z n PHE 1049Ca 0.15 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.64 1k6z n PHE 1049Cb 0.61 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.40 1k6z n PHE 1049CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1k6z s THR 1050N -2.00 0.13 -0.44 1.97 -1.32 0.19 -1.00 115.64 113.16 1k6z s THR 1050Ca 0.00 -1.44 -0.07 0.00 -1.21 0.00 0.00 61.69 58.97 1k6z s THR 1050Cb 0.00 -1.62 0.11 0.00 -1.51 0.00 0.00 72.50 69.49 1k6z s THR 1050CO 0.00 -0.57 0.29 -0.76 -2.21 0.00 0.00 174.62 171.36 1k6z s LEU 1051N -2.93 5.48 0.87 9.08 2.01 -1.26 -2.10 118.68 129.83 1k6z s LEU 1051Ca 0.12 -1.90 -0.12 0.00 0.01 0.00 0.00 54.13 52.23 1k6z s LEU 1051Cb 0.05 -1.95 0.12 0.00 0.01 0.00 0.00 46.19 44.42 1k6z s LEU 1051CO -0.06 -0.62 1.13 -2.16 1.01 0.00 0.00 176.35 175.65 1k6z s PRO 1052N 1.29 1.44 -0.27 1.29 0.04 -1.26 -5.02 135.00 132.52 1k6z s PRO 1052Ca 0.06 0.35 -0.09 0.00 0.04 0.00 0.00 61.00 61.36 1k6z s PRO 1052Cb -0.25 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1k6z s PRO 1052CO -0.02 -2.00 0.11 -1.54 0.04 0.00 0.00 177.00 173.60 1k6z s SER 1053N -4.06 5.43 0.11 6.66 1.04 -1.26 -4.74 113.70 116.88 1k6z s SER 1053Ca 0.63 -0.19 -0.08 0.00 0.48 0.00 0.00 55.95 56.79 1k6z s SER 1053Cb -0.14 -1.99 -0.06 0.00 0.10 0.00 0.00 66.02 63.93 1k6z s SER 1053CO 0.53 -0.06 0.40 -0.76 0.98 0.00 0.00 173.24 174.33 1k6z s LEU 1054N 1.66 4.30 -0.45 2.42 1.43 -1.26 -4.71 118.68 122.06 1k6z s LEU 1054Ca 0.06 0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 53.59 1k6z s LEU 1054Cb -0.16 -3.15 0.02 0.00 0.03 0.00 0.00 46.19 42.94 1k6z s LEU 1054CO 0.06 0.11 1.31 -0.62 0.23 0.00 0.00 176.35 177.44 1k6z s ASP 1055N -2.06 6.43 0.53 2.29 -1.08 -1.26 -4.90 116.67 116.63 1k6z s ASP 1055Ca 0.37 0.64 0.36 0.00 -0.52 0.00 0.00 52.55 53.40 1k6z s ASP 1055Cb -0.13 -2.54 1.87 0.00 -1.46 0.00 0.00 42.92 40.66 1k6z s ASP 1055CO 0.21 -1.39 2.09 0.78 0.52 0.00 0.00 175.17 177.38 1k6z h ASN 1056N 10.18 0.00 0.57 -0.34 2.35 -1.99 0.22 115.58 126.57 1k6z h ASN 1056Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1k6z h ASN 1056Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1k6z h ASN 1056CO 1.11 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 177.48 1k6z n ASN 1057N -2.80 0.00 -4.70 5.81 3.02 -1.26 -4.79 115.26 110.53 1k6z n ASN 1057Ca -0.02 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.08 1k6z n ASN 1057Cb 0.10 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 1k6z n ASN 1057CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1k6z s ASP 1058N -2.62 7.23 0.70 6.41 1.01 0.76 -5.03 116.67 125.12 1k6z s ASP 1058Ca 0.24 1.75 -0.04 0.00 0.71 0.00 0.00 52.55 55.21 1k6z s ASP 1058Cb 0.18 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.63 1k6z s ASP 1058CO 0.43 -0.39 0.99 -0.70 0.21 0.00 0.00 175.17 175.70 1k6z s GLU 1059N 1.35 2.02 0.28 8.23 -6.30 -1.26 -4.84 118.70 118.18 1k6z s GLU 1059Ca 0.54 -0.57 0.01 0.00 -2.50 0.00 0.00 54.97 52.45 1k6z s GLU 1059Cb -0.23 -2.24 0.60 0.00 0.00 0.00 0.00 34.13 32.26 1k6z s GLU 1059CO 0.26 -1.28 1.76 1.57 0.02 0.00 0.00 175.26 177.60 1k6z h LYS 1060N -0.53 0.64 -0.47 4.30 -0.00 -1.99 -1.41 116.57 117.11 1k6z h LYS 1060Ca -0.42 -0.04 -0.06 0.00 -0.00 0.00 0.00 60.65 60.13 1k6z h LYS 1060Cb 1.29 -0.15 -0.02 0.00 -0.00 0.00 0.00 32.23 33.36 1k6z h LYS 1060CO 0.52 0.43 0.08 0.93 -0.00 0.00 0.00 179.45 181.40 1k6z h GLU 1061N 0.66 0.78 -0.40 0.07 3.07 -1.99 -1.71 114.58 115.07 1k6z h GLU 1061Ca 0.50 -0.21 -0.06 0.00 -0.50 0.00 0.00 59.36 59.09 1k6z h GLU 1061Cb 0.74 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1k6z h GLU 1061CO -0.38 0.79 0.01 1.15 -1.40 0.00 0.00 179.01 179.18 1k6z h THR 1062N 0.65 1.26 -0.45 1.13 2.02 -1.72 -2.26 112.91 113.55 1k6z h THR 1062Ca 0.14 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1k6z h THR 1062Cb 0.39 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1k6z h THR 1062CO 0.01 0.34 0.24 -0.07 0.37 0.00 0.00 175.52 176.41 1k6z h LEU 1063N 0.53 0.56 -1.41 2.58 3.38 -1.17 -2.77 115.31 117.01 1k6z h LEU 1063Ca 0.11 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1k6z h LEU 1063Cb 0.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1k6z h LEU 1063CO 0.02 0.49 -0.18 -0.07 0.09 0.00 0.00 178.44 178.79 1k6z h LEU 1064N 0.59 0.00 -1.98 1.67 3.38 -1.31 -2.52 115.31 115.13 1k6z h LEU 1064Ca 0.16 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1k6z h LEU 1064Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1k6z h LEU 1064CO -0.02 0.18 0.11 0.28 0.09 0.00 0.00 178.44 179.08 1k6z h SER 1065N 0.00 0.02 0.48 -0.43 0.02 -1.10 -0.70 113.55 111.85 1k6z h SER 1065Ca -0.00 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1k6z h SER 1065Cb 0.60 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1k6z h SER 1065CO 0.02 0.02 -0.02 0.45 -1.14 0.00 0.00 176.83 176.16 1k6z h HIS 1066N 0.03 0.00 -0.02 3.45 3.86 -1.53 -2.76 115.15 118.18 1k6z h HIS 1066Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1k6z h HIS 1066Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1k6z h HIS 1066CO -0.00 0.02 -0.04 0.09 0.86 0.00 0.00 177.93 178.86 1k6z n ASN 1067N -3.17 1.65 -4.72 2.45 5.03 -0.27 -4.86 115.26 111.37 1k6z n ASN 1067Ca -0.01 -1.49 -0.36 0.00 0.87 0.00 0.00 54.58 53.59 1k6z n ASN 1067Cb 0.19 0.03 0.09 0.00 -1.02 0.00 0.00 39.78 39.07 1k6z n ASN 1067CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1k6z s ILE 1068N -2.07 2.08 0.60 2.41 1.10 -1.04 -4.94 121.20 119.33 1k6z s ILE 1068Ca 0.35 0.04 -0.17 0.00 -0.51 0.00 0.00 60.65 60.36 1k6z s ILE 1068Cb 0.21 -2.81 -0.03 0.00 0.15 0.00 0.00 42.46 39.97 1k6z s ILE 1068CO 0.36 -0.02 1.10 0.72 -2.11 0.00 0.00 174.94 175.00 1k6z s PHE 1069N -1.68 2.72 0.08 3.50 -0.12 -1.26 -5.06 117.98 116.16 1k6z s PHE 1069Ca 0.79 1.54 0.01 0.00 -0.05 0.00 0.00 56.93 59.22 1k6z s PHE 1069Cb -0.34 -3.18 -0.00 0.00 -0.63 0.00 0.00 43.02 38.87 1k6z s PHE 1069CO 0.43 -1.51 0.10 -1.13 -0.05 0.00 0.00 175.22 173.06 1k6z n SER 1070N -1.91 -0.26 0.04 1.98 3.41 -1.26 -5.02 113.62 110.60 1k6z n SER 1070Ca 0.10 -1.50 0.13 0.00 -0.26 0.00 0.00 58.87 57.35 1k6z n SER 1070Cb 0.52 0.53 0.53 0.00 -0.26 0.00 0.00 64.21 65.53 1k6z n SER 1070CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k6z n GLN 1071N -0.15 0.10 -3.58 4.33 6.02 -1.26 -4.62 117.38 118.22 1k6z n GLN 1071Ca 0.01 0.09 -0.40 0.00 -0.01 0.00 0.00 57.00 56.69 1k6z n GLN 1071Cb 0.15 -1.62 -0.11 0.00 1.02 0.00 0.00 30.24 29.68 1k6z n GLN 1071CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1k6z s ASP 1072N -3.56 5.81 0.00 1.08 -1.08 -1.26 -4.92 116.67 112.73 1k6z s ASP 1072Ca 0.12 -0.70 0.18 0.00 -0.52 0.00 0.00 52.55 51.63 1k6z s ASP 1072Cb 0.16 -2.06 0.77 0.00 -1.46 0.00 0.00 42.92 40.33 1k6z s ASP 1072CO 0.54 -0.30 1.56 2.30 0.52 0.00 0.00 175.17 179.79 1k6z n ILE 1073N 5.04 0.75 1.32 4.11 -5.35 -1.26 -2.13 119.36 121.83 1k6z n ILE 1073Ca -0.13 0.19 0.13 0.00 -0.27 0.00 0.00 62.75 62.67 1k6z n ILE 1073Cb 0.48 -0.89 0.38 0.00 -1.74 0.00 0.00 39.64 37.87 1k6z n ILE 1073CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1k6z n LEU 1074N -1.47 1.67 -4.68 7.28 4.77 -1.26 -4.78 117.00 118.53 1k6z n LEU 1074Ca 0.05 -0.54 -0.42 0.00 -0.03 0.00 0.00 56.01 55.06 1k6z n LEU 1074Cb 0.20 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1k6z n LEU 1074CO 0.16 0.29 1.53 1.17 -1.33 0.00 0.00 177.39 179.20 1k6z n LYS 1075N 0.15 2.82 -1.92 3.23 4.81 -0.91 -4.63 118.16 121.71 1k6z n LYS 1075Ca 0.16 1.03 -0.32 0.00 -0.87 0.00 0.00 58.31 58.30 1k6z n LYS 1075Cb 0.40 -2.95 0.02 0.00 0.02 0.00 0.00 35.03 32.53 1k6z n LYS 1075CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1k6z s PRO 1076N 3.44 3.16 -0.19 1.64 0.04 -1.26 -4.92 135.00 136.91 1k6z s PRO 1076Ca 0.85 1.20 -0.09 0.00 0.04 0.00 0.00 61.00 63.00 1k6z s PRO 1076Cb -0.47 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 1k6z s PRO 1076CO 0.39 -0.94 0.10 0.42 0.04 0.00 0.00 177.00 177.02 1k6z s ILE 1077N -2.52 5.15 -0.14 0.56 -1.09 -0.18 -4.78 121.20 118.19 1k6z s ILE 1077Ca 0.63 0.09 -0.18 0.00 -2.23 0.00 0.00 60.65 58.97 1k6z s ILE 1077Cb -0.16 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1k6z s ILE 1077CO 0.40 0.46 0.48 -0.22 -1.23 0.00 0.00 174.94 174.83 1k6z s LEU 1078N 0.31 4.24 0.00 2.97 2.96 -1.26 -1.90 118.68 125.99 1k6z s LEU 1078Ca 0.06 0.77 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1k6z s LEU 1078Cb -0.12 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 1k6z s LEU 1078CO -0.01 -0.04 0.20 -1.54 -1.32 0.00 0.00 176.35 173.64 1k6z n SER 1079N 3.96 -0.53 -3.99 3.68 3.41 0.69 -4.97 113.62 115.89 1k6z n SER 1079Ca -0.07 -2.29 -0.19 0.00 -0.26 0.00 0.00 58.87 56.06 1k6z n SER 1079Cb 0.51 1.15 -0.15 0.00 -0.26 0.00 0.00 64.21 65.46 1k6z n SER 1079CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1k6z s TRP 1080N -3.04 0.79 -0.42 7.33 -0.11 -1.26 -0.91 118.94 121.32 1k6z s TRP 1080Ca 0.23 -0.18 -0.10 0.00 1.22 0.00 0.00 56.10 57.27 1k6z s TRP 1080Cb 0.01 -0.56 0.07 0.00 -1.50 0.00 0.00 33.47 31.50 1k6z s TRP 1080CO 0.16 -0.07 0.27 0.34 -4.62 0.00 0.00 176.95 173.03 1k6z s ASP 1081N 0.10 5.69 0.24 5.86 -1.08 -0.12 -4.91 116.67 122.45 1k6z s ASP 1081Ca -0.01 -1.45 -0.06 0.00 -0.52 0.00 0.00 52.55 50.51 1k6z s ASP 1081Cb -0.07 -2.01 0.32 0.00 -1.46 0.00 0.00 42.92 39.71 1k6z s ASP 1081CO 0.00 -0.54 1.85 -0.08 0.52 0.00 0.00 175.17 176.92 1k6z h GLU 1082N 8.44 0.94 0.14 4.34 4.57 -1.97 0.50 114.58 131.54 1k6z h GLU 1082Ca -0.24 -0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 57.65 1k6z h GLU 1082Cb 1.09 -0.21 0.03 0.00 -0.16 0.00 0.00 28.75 29.49 1k6z h GLU 1082CO 0.76 0.62 -1.02 0.28 -1.18 0.00 0.00 179.01 178.48 1k6z h VAL 1083N 0.97 1.40 0.00 0.32 2.07 -1.96 -3.22 116.25 115.83 1k6z h VAL 1083Ca 0.37 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1k6z h VAL 1083Cb 0.16 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1k6z h VAL 1083CO -0.17 0.73 0.00 1.23 0.02 0.00 0.00 177.57 179.38 1k6z h GLY 1084N -0.07 0.00 -4.11 2.17 0.00 -1.92 -3.47 103.07 95.67 1k6z h GLY 1084Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.91 1k6z h GLY 1084CO 0.19 0.00 -0.44 0.61 0.00 0.00 0.00 176.54 176.91 1k6z n GLY 1085N 0.30 -0.01 3.35 4.60 0.00 0.17 -5.03 105.19 108.58 1k6z n GLY 1085Ca 0.02 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1k6z n GLY 1085CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1k6z s HIS 1086N -3.21 -0.30 0.75 1.61 -3.43 -1.08 -5.00 115.29 104.63 1k6z s HIS 1086Ca 0.37 0.01 -0.12 0.00 -0.80 0.00 0.00 55.06 54.53 1k6z s HIS 1086Cb -0.16 0.35 0.04 0.00 -1.43 0.00 0.00 32.58 31.38 1k6z s HIS 1086CO 0.47 -0.75 1.10 -1.25 -2.00 0.00 0.00 174.74 172.31 1k6z s PRO 1087N -3.79 2.36 -0.12 -0.38 0.04 -1.26 -0.94 135.00 130.91 1k6z s PRO 1087Ca 0.02 1.23 -0.05 0.00 0.04 0.00 0.00 61.00 62.24 1k6z s PRO 1087Cb 0.01 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.70 1k6z s PRO 1087CO -0.12 -1.57 0.26 0.08 0.04 0.00 0.00 177.00 175.69 1k6z s VAL 1088N -2.77 -0.25 -0.17 -0.36 1.01 -0.09 -4.28 120.40 113.49 1k6z s VAL 1088Ca 0.63 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.79 1k6z s VAL 1088Cb -0.18 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1k6z s VAL 1088CO 0.53 0.09 -0.03 -0.22 0.00 0.00 0.00 175.10 175.47 1k6z s LEU 1089N 1.93 3.19 0.08 3.92 2.96 -0.89 -0.22 118.68 129.65 1k6z s LEU 1089Ca -0.03 -0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 53.53 1k6z s LEU 1089Cb -0.11 -1.78 0.04 0.00 0.50 0.00 0.00 46.19 44.83 1k6z s LEU 1089CO -0.09 0.13 0.40 -1.66 -1.32 0.00 0.00 176.35 173.82 1k6z s TRP 1090N 0.61 -0.23 0.26 5.38 1.48 -0.80 -0.64 118.94 125.00 1k6z s TRP 1090Ca -0.02 0.06 -0.06 0.00 -1.06 0.00 0.00 56.10 55.02 1k6z s TRP 1090Cb -0.14 0.23 -0.01 0.00 -1.16 0.00 0.00 33.47 32.38 1k6z s TRP 1090CO 0.02 -0.63 0.36 0.54 -4.06 0.00 0.00 176.95 173.18 1k6z s ASN 1091N -2.38 0.33 -0.12 -2.66 2.20 -1.26 -1.01 114.94 110.03 1k6z s ASN 1091Ca -0.01 -1.25 -0.30 0.00 -0.94 0.00 0.00 52.86 50.36 1k6z s ASN 1091Cb 0.01 0.54 0.08 0.00 -2.00 0.00 0.00 41.25 39.88 1k6z s ASN 1091CO -0.07 -1.08 0.75 -0.60 -2.94 0.00 0.00 177.10 173.16 1k6z s ARG 1092N -3.79 0.92 0.09 3.55 3.52 -1.26 -4.48 118.95 117.50 1k6z s ARG 1092Ca 0.31 0.39 -0.17 0.00 -0.13 0.00 0.00 55.73 56.13 1k6z s ARG 1092Cb 0.02 0.44 0.03 0.00 -1.56 0.00 0.00 34.95 33.88 1k6z s ARG 1092CO 0.14 -0.25 0.40 1.14 -0.81 0.00 0.00 175.30 175.91 1k6z s GLN 1093N -0.83 1.01 0.10 5.12 -2.07 -0.92 -4.86 119.66 117.20 1k6z s GLN 1093Ca -0.07 -0.59 -0.31 0.00 -1.82 0.00 0.00 55.36 52.57 1k6z s GLN 1093Cb -0.01 0.44 -0.07 0.00 -1.09 0.00 0.00 33.01 32.28 1k6z s GLN 1093CO 0.06 -0.38 1.34 -2.14 -1.32 0.00 0.00 175.29 172.85 1k6z s PRO 1094N -3.32 4.35 0.54 9.60 0.02 -1.26 -1.01 135.00 143.91 1k6z s PRO 1094Ca 0.00 1.99 0.24 0.00 0.02 0.00 0.00 61.00 63.24 1k6z s PRO 1094Cb 0.01 -3.28 1.41 0.00 0.02 0.00 0.00 34.50 32.66 1k6z s PRO 1094CO -0.08 -0.39 2.05 1.25 -0.33 0.00 0.00 177.00 179.49 1k6z h LEU 1095N 6.84 0.00 -0.95 -5.54 5.85 -1.40 -2.91 115.31 117.20 1k6z h LEU 1095Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1k6z h LEU 1095Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1k6z h LEU 1095CO 0.85 0.00 0.00 -0.46 -0.34 0.00 0.00 178.44 178.49 1k6z n ASN 1096N -4.30 1.38 -0.12 1.25 0.23 -1.26 -3.49 115.26 108.95 1k6z n ASN 1096Ca 0.05 -2.00 0.01 0.00 -0.53 0.00 0.00 54.58 52.11 1k6z n ASN 1096Cb 0.44 -0.18 0.01 0.00 -2.08 0.00 0.00 39.78 37.98 1k6z n ASN 1096CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1k6z n SER 1097N 0.25 0.66 -4.75 0.53 3.41 -1.10 -5.09 113.62 107.53 1k6z n SER 1097Ca 0.09 -1.66 -0.35 0.00 -0.26 0.00 0.00 58.87 56.69 1k6z n SER 1097Cb 0.22 -0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1k6z n SER 1097CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1k6z s LEU 1098N -0.51 3.57 0.46 1.04 1.43 -1.23 -5.05 118.68 118.40 1k6z s LEU 1098Ca 0.03 2.32 0.07 0.00 -1.03 0.00 0.00 54.13 55.52 1k6z s LEU 1098Cb 0.03 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.66 1k6z s LEU 1098CO 0.00 -1.70 0.39 1.51 0.23 0.00 0.00 176.35 176.79 1k6z s ASP 1099N -1.82 4.87 0.26 2.29 -4.77 -1.26 -4.98 116.67 111.27 1k6z s ASP 1099Ca 0.75 -0.93 0.19 0.00 -3.30 0.00 0.00 52.55 49.26 1k6z s ASP 1099Cb -0.28 -0.23 0.98 0.00 -1.09 0.00 0.00 42.92 42.30 1k6z s ASP 1099CO 0.36 -0.81 1.58 0.59 0.70 0.00 0.00 175.17 177.58 1k6z n ASN 1100N -1.62 0.49 -0.57 2.11 3.02 -1.26 -1.57 115.26 115.86 1k6z n ASN 1100Ca 0.02 0.71 0.06 0.00 -0.03 0.00 0.00 54.58 55.35 1k6z n ASN 1100Cb 0.63 -0.78 0.09 0.00 -0.61 0.00 0.00 39.78 39.11 1k6z n ASN 1100CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1k6z n ASN 1101N -2.14 2.37 -0.01 6.41 3.02 -1.26 -4.75 115.26 118.91 1k6z n ASN 1101Ca -0.01 -1.68 -0.13 0.00 -0.03 0.00 0.00 54.58 52.73 1k6z n ASN 1101Cb 0.06 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 39.05 1k6z n ASN 1101CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1k6z h SER 1102N 2.35 0.05 -0.35 6.41 0.02 -1.67 -1.26 113.55 119.10 1k6z h SER 1102Ca 0.00 -0.35 -0.12 0.00 -0.84 0.00 0.00 61.79 60.49 1k6z h SER 1102Cb 0.60 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1k6z h SER 1102CO 0.00 0.39 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.77 1k6z h LEU 1103N -0.28 0.82 -0.33 5.07 3.38 -1.85 -0.28 115.31 121.83 1k6z h LEU 1103Ca 0.01 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.61 1k6z h LEU 1103Cb 0.36 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1k6z h LEU 1103CO 0.00 1.08 -0.05 0.22 0.09 0.00 0.00 178.44 179.78 1k6z h TYR 1104N 0.57 -0.12 -0.52 1.13 5.03 -1.86 -0.32 116.97 120.87 1k6z h TYR 1104Ca 0.07 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.37 1k6z h TYR 1104Cb 0.80 0.10 -0.02 0.00 1.55 0.00 0.00 36.73 39.16 1k6z h TYR 1104CO 0.06 -0.11 0.19 1.15 -1.32 0.00 0.00 178.16 178.13 1k6z h THR 1105N 0.03 1.22 -0.67 1.81 2.02 -1.08 -2.09 112.91 114.15 1k6z h THR 1105Ca 0.16 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.68 1k6z h THR 1105Cb 0.24 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1k6z h THR 1105CO -0.31 0.27 0.38 -0.61 0.37 0.00 0.00 175.52 175.61 1k6z h GLN 1106N 0.71 0.68 -0.41 6.66 4.15 -0.35 -2.00 115.11 124.56 1k6z h GLN 1106Ca 0.17 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.45 1k6z h GLN 1106Cb 0.23 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1k6z h GLN 1106CO -0.01 0.45 -0.17 1.25 -1.93 0.00 0.00 178.83 178.42 1k6z h LEU 1107N 0.70 0.76 -2.05 -2.39 5.85 -0.86 -1.14 115.31 116.19 1k6z h LEU 1107Ca 0.30 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1k6z h LEU 1107Cb 0.17 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1k6z h LEU 1107CO -0.17 0.93 0.00 1.21 -0.34 0.00 0.00 178.44 180.07 1k6z n GLU 1108N -4.14 0.43 0.00 1.25 4.07 -0.75 -1.41 120.64 120.09 1k6z n GLU 1108Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1k6z n GLU 1108Cb 0.40 -1.28 0.00 0.00 -0.06 0.00 0.00 31.44 30.49 1k6z n GLU 1108CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1k6z n LEU 1110N 0.82 0.00 -0.19 4.31 7.94 -0.43 -0.82 117.00 128.63 1k6z n LEU 1110Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1k6z n LEU 1110Cb 0.22 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.18 1k6z n LEU 1110CO 0.00 0.00 0.99 0.58 -1.11 0.00 0.00 177.39 177.85 1k6z h VAL 1111N 0.00 1.20 -0.76 1.96 2.07 -1.51 -2.09 116.25 117.12 1k6z h VAL 1111Ca 0.00 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1k6z h VAL 1111Cb 0.00 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1k6z h VAL 1111CO 0.00 0.23 0.51 1.56 0.02 0.00 0.00 177.57 179.89 1k6z h GLN 1112N 0.71 1.01 -0.71 1.57 4.20 -1.24 -1.21 115.11 119.43 1k6z h GLN 1112Ca 0.18 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1k6z h GLN 1112Cb 0.14 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1k6z h GLN 1112CO -0.02 0.67 0.41 0.78 -0.67 0.00 0.00 178.83 180.00 1k6z h GLY 1113N 1.04 1.04 1.00 3.46 0.00 -1.74 0.95 103.07 108.82 1k6z h GLY 1113Ca 0.28 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1k6z h GLY 1113CO -0.06 0.42 0.31 0.00 0.00 0.00 0.00 176.54 177.21 1k6z h ALA 1114N 1.47 0.61 -0.73 3.60 0.00 -0.82 -2.46 119.26 120.92 1k6z h ALA 1114Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1k6z h ALA 1114Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1k6z h ALA 1114CO -0.05 0.07 0.28 0.93 0.00 0.00 0.00 179.25 180.49 1k6z h GLU 1115N 0.65 1.09 0.00 0.00 5.08 -0.45 -1.71 114.58 119.24 1k6z h GLU 1115Ca 0.17 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1k6z h GLU 1115Cb -0.05 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1k6z h GLU 1115CO -0.04 0.89 0.00 0.00 -1.00 0.00 0.00 179.01 178.87 1k6z h ARG 1116N 1.07 0.00 -0.01 2.33 3.08 -0.40 -1.81 114.38 118.64 1k6z h ARG 1116Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1k6z h ARG 1116Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1k6z h ARG 1116CO -0.02 0.00 -0.19 1.28 -1.07 0.00 0.00 179.97 179.97 1k6z n LEU 1117N -2.49 0.85 0.00 3.04 4.77 -0.64 -5.09 117.00 117.43 1k6z n LEU 1117Ca -0.00 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1k6z n LEU 1117Cb 0.15 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1k6z n LEU 1117CO 0.18 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.39 1k6z n GLN 1118N -0.71 0.00 -3.64 3.23 6.02 -0.69 -4.34 117.38 117.25 1k6z n GLN 1118Ca 0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.07 1k6z n GLN 1118Cb 0.32 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.57 1k6z n GLN 1118CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1k6z s ARG 1127N 0.00 0.98 -0.26 -1.09 1.81 -1.26 -5.00 118.95 114.14 1k6z s ARG 1127Ca 0.00 -0.48 -0.10 0.00 -1.72 0.00 0.00 55.73 53.43 1k6z s ARG 1127Cb 0.00 0.38 -0.05 0.00 -0.45 0.00 0.00 34.95 34.83 1k6z s ARG 1127CO 0.00 -0.44 0.17 -1.54 -0.68 0.00 0.00 175.30 172.80 1k6z s SER 1128N -2.75 5.98 -0.10 0.23 1.04 -1.26 -4.99 113.70 111.85 1k6z s SER 1128Ca 0.09 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1k6z s SER 1128Cb -0.01 -2.09 -0.02 0.00 0.10 0.00 0.00 66.02 63.99 1k6z s SER 1128CO -0.03 0.00 -0.10 -0.36 0.98 0.00 0.00 173.24 173.74 1k6z s PHE 1129N 1.43 2.85 0.07 5.02 0.08 -1.26 -0.85 117.98 125.32 1k6z s PHE 1129Ca 0.07 -0.28 -0.05 0.00 0.12 0.00 0.00 56.93 56.79 1k6z s PHE 1129Cb -0.15 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.51 1k6z s PHE 1129CO 0.08 0.07 0.09 -1.54 -0.10 0.00 0.00 175.22 173.81 1k6z s SER 1130N -0.24 0.28 0.77 1.36 1.04 -0.48 -4.96 113.70 111.47 1k6z s SER 1130Ca 0.02 -0.80 -0.13 0.00 0.48 0.00 0.00 55.95 55.52 1k6z s SER 1130Cb -0.13 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.33 1k6z s SER 1130CO 0.03 -0.67 1.15 -1.00 0.98 0.00 0.00 173.24 173.73 1k6z s HIS 1131N -3.85 2.17 0.00 5.02 3.76 -1.26 -0.57 115.29 120.56 1k6z s HIS 1131Ca 0.06 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.59 1k6z s HIS 1131Cb 0.06 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.46 1k6z s HIS 1131CO -0.10 -2.30 0.19 1.58 -0.85 0.00 0.00 174.74 173.26