#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9a n HIS 1005N 0.00 -0.44 -5.09 4.31 1.44 -1.26 -2.29 115.22 111.90 1i9a n HIS 1005Ca 0.00 -2.54 -0.28 0.00 -2.01 0.00 0.00 57.72 52.89 1i9a n HIS 1005Cb 0.00 0.17 -0.16 0.00 0.12 0.00 0.00 29.99 30.13 1i9a n HIS 1005CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1i9a s VAL 1006N -3.16 1.74 -0.64 0.61 1.01 0.72 -4.63 120.40 116.05 1i9a s VAL 1006Ca 0.31 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 1i9a s VAL 1006Cb 0.02 -1.45 0.07 0.00 0.00 0.00 0.00 36.38 35.02 1i9a s VAL 1006CO 0.22 0.49 0.93 -0.63 0.00 0.00 0.00 175.10 176.11 1i9a s ILE 1007N -0.46 4.39 0.46 2.22 1.01 -1.26 -2.03 121.20 125.53 1i9a s ILE 1007Ca 0.07 -0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.11 1i9a s ILE 1007Cb -0.09 -4.64 -0.08 0.00 0.01 0.00 0.00 42.46 37.66 1i9a s ILE 1007CO -0.00 -1.37 1.44 0.18 0.00 0.00 0.00 174.94 175.18 1i9a n LEU 1008N 7.50 5.18 -4.24 2.97 4.77 -1.01 -2.27 117.00 129.90 1i9a n LEU 1008Ca -0.04 1.12 -0.22 0.00 -0.03 0.00 0.00 56.01 56.84 1i9a n LEU 1008Cb 0.45 -1.61 -0.12 0.00 -2.33 0.00 0.00 43.42 39.81 1i9a n LEU 1008CO 0.63 -0.15 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.29 1i9a s LEU 1009N -2.73 2.29 0.00 2.23 1.43 -0.94 -1.89 118.68 119.07 1i9a s LEU 1009Ca 0.61 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1i9a s LEU 1009Cb -0.45 -0.74 0.09 0.00 0.03 0.00 0.00 46.19 45.12 1i9a s LEU 1009CO 0.57 0.01 0.71 -0.46 0.23 0.00 0.00 176.35 177.41 1i9a n ASN 1010N 1.16 1.53 -0.32 2.29 0.23 -0.92 -4.58 115.26 114.65 1i9a n ASN 1010Ca -0.20 -2.16 -0.04 0.00 -0.53 0.00 0.00 54.58 51.65 1i9a n ASN 1010Cb 0.54 -0.41 -0.01 0.00 -2.08 0.00 0.00 39.78 37.81 1i9a n ASN 1010CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i9a n ALA 1011N -2.61 -0.27 1.47 -2.53 0.00 -1.26 0.60 120.51 115.92 1i9a n ALA 1011Ca -0.12 0.75 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1i9a n ALA 1011Cb 0.49 -0.25 0.03 0.00 0.00 0.00 0.00 19.45 19.71 1i9a n ALA 1011CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1i9a n GLN 1012N -5.10 0.74 -1.98 0.00 3.00 -1.26 -4.85 117.38 107.92 1i9a n GLN 1012Ca 0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.94 1i9a n GLN 1012Cb 0.27 -1.02 -0.01 0.00 0.00 0.00 0.00 30.24 29.48 1i9a n GLN 1012CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i9a n GLY 1013N 0.25 0.23 3.65 1.08 0.00 0.20 -5.03 105.19 105.57 1i9a n GLY 1013Ca 0.01 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1i9a n GLY 1013CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i9a s VAL 1014N -2.47 4.49 0.38 1.61 -7.23 -1.26 -4.83 120.40 111.09 1i9a s VAL 1014Ca 0.00 -0.16 -0.26 0.00 -1.81 0.00 0.00 61.98 59.75 1i9a s VAL 1014Cb 0.00 -2.96 -0.12 0.00 0.56 0.00 0.00 36.38 33.87 1i9a s VAL 1014CO 0.00 0.54 1.09 -2.65 -0.31 0.00 0.00 175.10 173.77 1i9a n PRO 1015N 2.84 1.57 0.00 4.82 -0.02 -1.26 -2.16 135.00 140.79 1i9a n PRO 1015Ca -0.18 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1i9a n PRO 1015Cb 0.53 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1i9a n PRO 1015CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1i9a n THR 1016N -0.14 0.00 -2.09 3.45 -2.24 -0.79 -4.86 114.28 107.61 1i9a n THR 1016Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1i9a n THR 1016Cb 0.37 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1i9a n THR 1016CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i9a n GLY 1017N 2.25 1.77 3.11 3.38 0.00 -1.25 -5.05 105.19 109.42 1i9a n GLY 1017Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 1i9a n GLY 1017CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i9a s THR 1018N -1.69 0.18 -0.23 2.61 2.01 -1.26 -2.40 115.64 114.87 1i9a s THR 1018Ca 0.00 -1.85 -0.20 0.00 0.31 0.00 0.00 61.69 59.95 1i9a s THR 1018Cb 0.00 -1.72 0.06 0.00 0.01 0.00 0.00 72.50 70.85 1i9a s THR 1018CO 0.00 -0.79 0.60 -0.22 -0.69 0.00 0.00 174.62 173.51 1i9a s LEU 1019N -2.97 -0.31 0.09 4.42 0.20 -0.86 -4.87 118.68 114.38 1i9a s LEU 1019Ca 0.14 1.21 -0.33 0.00 0.69 0.00 0.00 54.13 55.83 1i9a s LEU 1019Cb 0.08 2.04 -0.12 0.00 -0.43 0.00 0.00 46.19 47.76 1i9a s LEU 1019CO -0.05 -0.21 1.74 1.21 -0.29 0.00 0.00 176.35 178.74 1i9a n GLU 1020N 2.88 2.38 -0.25 1.98 0.00 -1.26 -0.20 120.64 126.17 1i9a n GLU 1020Ca -0.14 0.87 0.06 0.00 0.00 0.00 0.00 57.16 57.94 1i9a n GLU 1020Cb 0.56 -2.69 0.19 0.00 0.00 0.00 0.00 31.44 29.49 1i9a n GLU 1020CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 1i9a h LYS 1021N 7.55 0.26 -0.34 5.31 2.10 -1.71 -0.42 116.57 129.32 1i9a h LYS 1021Ca -0.46 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.16 1i9a h LYS 1021Cb 1.25 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.50 1i9a h LYS 1021CO 0.92 0.17 0.17 -0.92 -2.00 0.00 0.00 179.45 177.80 1i9a h TYR 1022N 0.27 0.48 0.00 0.07 3.20 -1.90 -2.18 116.97 116.91 1i9a h TYR 1022Ca 0.42 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1i9a h TYR 1022Cb 0.72 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1i9a h TYR 1022CO -0.26 0.40 0.00 0.00 -1.64 0.00 0.00 178.16 176.66 1i9a n ALA 1023N -2.25 1.95 0.09 1.82 0.00 -0.82 -3.12 120.51 118.19 1i9a n ALA 1023Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1i9a n ALA 1023Cb 0.09 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1i9a n ALA 1023CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i9a h ALA 1024N 2.54 0.52 -2.42 0.00 0.00 -0.44 -3.41 119.26 116.05 1i9a h ALA 1024Ca 0.00 -0.74 -0.76 0.00 0.00 0.00 0.00 54.91 53.41 1i9a h ALA 1024Cb 0.46 -0.13 -0.26 0.00 0.00 0.00 0.00 17.79 17.86 1i9a h ALA 1024CO 0.00 1.01 -0.14 -1.01 0.00 0.00 0.00 179.25 179.12 1i9a s HIS 1025N -2.90 3.44 0.00 0.00 3.76 -1.14 -4.22 115.29 114.23 1i9a s HIS 1025Ca 0.01 -1.63 0.00 0.00 -0.15 0.00 0.00 55.06 53.30 1i9a s HIS 1025Cb 0.10 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 30.03 1i9a s HIS 1025CO 0.79 -1.00 0.00 0.25 -0.85 0.00 0.00 174.74 173.93 1i9a n THR 1026N 4.74 0.00 1.66 1.30 -2.24 -1.26 -4.87 114.28 113.61 1i9a n THR 1026Ca -0.04 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1i9a n THR 1026Cb 0.42 0.00 0.68 0.00 -2.10 0.00 0.00 70.33 69.33 1i9a n THR 1026CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i9a n ALA 1027N -3.00 2.46 -2.74 6.98 0.00 -1.26 -1.75 120.51 121.20 1i9a n ALA 1027Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 1i9a n ALA 1027Cb 0.00 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.15 1i9a n ALA 1027CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1i9a n ASP 1028N -0.93 0.55 -4.49 0.00 2.03 -1.26 -4.74 116.55 107.70 1i9a n ASP 1028Ca 0.17 -2.29 -0.43 0.00 0.52 0.00 0.00 54.79 52.76 1i9a n ASP 1028Cb 0.08 -0.10 -0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1i9a n ASP 1028CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1i9a n THR 1029N -0.64 1.90 -3.60 5.18 -1.04 -1.22 -4.98 114.28 109.88 1i9a n THR 1029Ca 0.02 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.28 1i9a n THR 1029Cb 0.83 -0.63 -0.02 0.00 -1.82 0.00 0.00 70.33 68.69 1i9a n THR 1029CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1i9a s ARG 1030N -1.52 3.50 0.35 -2.82 0.52 -1.26 -4.75 118.95 112.97 1i9a s ARG 1030Ca 0.62 -0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 55.15 1i9a s ARG 1030Cb -0.67 -2.77 -0.11 0.00 0.52 0.00 0.00 34.95 31.92 1i9a s ARG 1030CO 0.58 0.30 1.47 -0.11 0.02 0.00 0.00 175.30 177.56 1i9a n LEU 1031N -1.25 4.42 -3.49 2.53 7.94 -1.26 -4.57 117.00 121.32 1i9a n LEU 1031Ca -0.05 1.21 -0.15 0.00 -1.11 0.00 0.00 56.01 55.90 1i9a n LEU 1031Cb 0.55 -1.59 -0.04 0.00 0.53 0.00 0.00 43.42 42.87 1i9a n LEU 1031CO 0.48 0.02 0.46 -1.38 -1.11 0.00 0.00 177.39 175.86 1i9a s HIS 1032N -0.85 -0.59 0.48 1.96 -3.43 -0.88 -2.22 115.29 109.77 1i9a s HIS 1032Ca 0.56 0.78 -0.22 0.00 -0.80 0.00 0.00 55.06 55.38 1i9a s HIS 1032Cb -0.50 0.47 -0.07 0.00 -1.43 0.00 0.00 32.58 31.05 1i9a s HIS 1032CO 0.60 -0.68 1.14 -0.51 -2.00 0.00 0.00 174.74 173.29 1i9a s LEU 1033N -1.79 3.94 0.00 5.38 1.43 -0.96 -2.08 118.68 124.60 1i9a s LEU 1033Ca -0.06 2.23 -0.02 0.00 -1.03 0.00 0.00 54.13 55.26 1i9a s LEU 1033Cb -0.00 -4.34 0.01 0.00 0.03 0.00 0.00 46.19 41.88 1i9a s LEU 1033CO 0.01 -0.96 0.10 0.00 0.23 0.00 0.00 176.35 175.73 1i9a n ALA 1034N -0.70 -0.20 -3.46 4.21 0.00 -0.62 -4.49 120.51 115.25 1i9a n ALA 1034Ca 0.08 -0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1i9a n ALA 1034Cb 0.49 0.16 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 1i9a n ALA 1034CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1i9a s PHE 1035N -7.14 -0.59 0.02 0.00 -0.12 -0.57 -3.47 117.98 106.12 1i9a s PHE 1035Ca 0.03 0.65 0.02 0.00 -0.05 0.00 0.00 56.93 57.58 1i9a s PHE 1035Cb -0.01 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1i9a s PHE 1035CO 0.02 -0.75 -0.07 -1.12 -0.05 0.00 0.00 175.22 173.26 1i9a s SER 1036N -2.10 0.79 0.05 1.98 0.01 -0.85 -1.77 113.70 111.80 1i9a s SER 1036Ca -0.04 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 56.91 1i9a s SER 1036Cb -0.01 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 1i9a s SER 1036CO -0.04 -0.06 -0.06 -0.94 0.41 0.00 0.00 173.24 172.55 1i9a s SER 1037N -0.87 0.77 -0.11 2.44 1.04 0.19 0.65 113.70 117.81 1i9a s SER 1037Ca -0.04 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.74 1i9a s SER 1037Cb -0.06 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.15 1i9a s SER 1037CO 0.00 -0.31 -0.17 0.26 0.98 0.00 0.00 173.24 174.00 1i9a s TRP 1038N -2.07 2.11 0.01 5.02 0.52 -0.24 -2.66 118.94 121.63 1i9a s TRP 1038Ca -0.05 -1.00 0.03 0.00 0.02 0.00 0.00 56.10 55.10 1i9a s TRP 1038Cb -0.05 -1.50 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 1i9a s TRP 1038CO -0.02 -0.49 -0.07 -0.51 0.02 0.00 0.00 176.95 175.88 1i9a s LEU 1039N 0.91 3.18 0.15 2.99 1.43 -1.26 -1.86 118.68 124.22 1i9a s LEU 1039Ca -0.08 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 1i9a s LEU 1039Cb -0.15 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1i9a s LEU 1039CO -0.01 0.28 -0.15 -0.36 0.23 0.00 0.00 176.35 176.33 1i9a s PHE 1040N -1.01 1.59 0.64 0.29 0.40 -0.91 -0.64 117.98 118.36 1i9a s PHE 1040Ca 0.17 -0.54 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 1i9a s PHE 1040Cb -0.11 -0.80 0.10 0.00 0.51 0.00 0.00 43.02 42.71 1i9a s PHE 1040CO 0.08 0.24 0.89 0.54 0.70 0.00 0.00 175.22 177.66 1i9a s ASN 1041N -2.69 4.75 0.54 1.36 2.20 -0.71 -1.62 114.94 118.76 1i9a s ASN 1041Ca 0.14 -0.45 0.26 0.00 -0.94 0.00 0.00 52.86 51.87 1i9a s ASN 1041Cb -0.04 -0.08 1.43 0.00 -2.00 0.00 0.00 41.25 40.56 1i9a s ASN 1041CO 0.05 -1.56 1.99 0.00 -2.94 0.00 0.00 177.10 174.64 1i9a h ALA 1042N -0.19 2.42 0.00 3.54 0.00 -1.93 0.87 119.26 123.97 1i9a h ALA 1042Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1i9a h ALA 1042Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1i9a h ALA 1042CO 0.42 -0.64 -0.13 1.63 0.00 0.00 0.00 179.25 180.53 1i9a n LYS 1043N -4.26 0.23 0.00 0.00 5.02 -1.26 -4.94 118.16 112.94 1i9a n LYS 1043Ca 0.09 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1i9a n LYS 1043Cb 0.60 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1i9a n LYS 1043CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i9a n GLY 1044N 1.35 0.72 3.80 0.72 0.00 0.30 -5.09 105.19 106.98 1i9a n GLY 1044Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1i9a n GLY 1044CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i9a s GLN 1045N -0.83 3.87 -0.03 1.61 -0.21 -1.26 -4.73 119.66 118.08 1i9a s GLN 1045Ca 0.00 1.35 -0.15 0.00 0.02 0.00 0.00 55.36 56.57 1i9a s GLN 1045Cb 0.00 -2.13 -0.05 0.00 1.00 0.00 0.00 33.01 31.82 1i9a s GLN 1045CO 0.00 -0.37 0.41 -1.17 -2.12 0.00 0.00 175.29 172.04 1i9a s LEU 1046N -3.39 4.43 -0.26 2.90 2.96 0.27 -1.74 118.68 123.84 1i9a s LEU 1046Ca 0.66 0.91 -0.15 0.00 -0.22 0.00 0.00 54.13 55.32 1i9a s LEU 1046Cb -0.16 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 1i9a s LEU 1046CO 0.20 0.26 0.40 -0.22 -1.32 0.00 0.00 176.35 175.66 1i9a s LEU 1047N -0.68 4.06 -0.06 -0.68 0.20 0.19 -1.12 118.68 120.59 1i9a s LEU 1047Ca 0.24 0.36 0.04 0.00 0.69 0.00 0.00 54.13 55.46 1i9a s LEU 1047Cb -0.16 -2.48 -0.02 0.00 -0.43 0.00 0.00 46.19 43.10 1i9a s LEU 1047CO 0.12 -0.18 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.13 1i9a s VAL 1048N 1.98 2.68 0.26 1.68 1.01 -0.12 -3.04 120.40 124.85 1i9a s VAL 1048Ca 0.17 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.37 1i9a s VAL 1048Cb -0.16 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1i9a s VAL 1048CO 0.09 0.58 -0.09 0.42 0.00 0.00 0.00 175.10 176.10 1i9a s THR 1049N -0.45 1.76 -0.14 3.92 -4.23 -0.84 -0.40 115.64 115.27 1i9a s THR 1049Ca 0.05 -2.17 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 1i9a s THR 1049Cb -0.12 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.38 1i9a s THR 1049CO 0.02 -0.37 -0.19 -0.60 -0.54 0.00 0.00 174.62 172.93 1i9a s ARG 1050N -3.69 2.72 0.26 3.99 3.52 -0.42 -0.46 118.95 124.88 1i9a s ARG 1050Ca 0.28 -0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 54.84 1i9a s ARG 1050Cb 0.02 -2.28 -0.11 0.00 -1.56 0.00 0.00 34.95 31.01 1i9a s ARG 1050CO 0.11 -0.09 1.59 1.03 -0.81 0.00 0.00 175.30 177.13 1i9a s ARG 1051N 1.04 4.15 0.55 5.12 0.52 -0.86 -3.74 118.95 125.73 1i9a s ARG 1051Ca -0.03 2.53 -0.21 0.00 -0.52 0.00 0.00 55.73 57.49 1i9a s ARG 1051Cb -0.15 -3.05 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 1i9a s ARG 1051CO -0.05 -0.62 1.31 0.00 0.02 0.00 0.00 175.30 175.96 1i9a n ALA 1052N 2.65 1.40 0.17 2.13 0.00 0.28 0.31 120.51 127.45 1i9a n ALA 1052Ca 0.10 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1i9a n ALA 1052Cb 0.37 -2.33 0.44 0.00 0.00 0.00 0.00 19.45 17.94 1i9a n ALA 1052CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1i9a h LEU 1053N 1.30 0.00 -1.28 0.00 3.38 -1.91 -0.88 115.31 115.92 1i9a h LEU 1053Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1i9a h LEU 1053Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1i9a h LEU 1053CO 0.56 0.00 -0.21 -1.54 0.09 0.00 0.00 178.44 177.34 1i9a n SER 1054N -2.15 2.20 -4.74 -0.43 3.41 -1.26 -4.71 113.62 105.94 1i9a n SER 1054Ca -0.01 -1.62 -0.35 0.00 -0.26 0.00 0.00 58.87 56.63 1i9a n SER 1054Cb 0.25 0.20 0.07 0.00 -0.26 0.00 0.00 64.21 64.47 1i9a n SER 1054CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1i9a s LYS 1055N -2.24 2.49 0.04 4.33 -0.14 -0.34 -4.93 119.74 118.95 1i9a s LYS 1055Ca 0.25 1.79 -0.18 0.00 -1.36 0.00 0.00 55.97 56.47 1i9a s LYS 1055Cb 0.19 -1.87 -0.18 0.00 -1.68 0.00 0.00 37.83 34.29 1i9a s LYS 1055CO 0.43 -1.58 1.22 -0.22 -0.76 0.00 0.00 175.35 174.45 1i9a h LYS 1056N 0.18 0.52 -5.99 1.68 3.64 -1.92 -3.38 116.57 111.30 1i9a h LYS 1056Ca -0.49 -0.43 -0.68 0.00 -1.27 0.00 0.00 60.65 57.78 1i9a h LYS 1056Cb 1.30 0.09 -0.16 0.00 -0.41 0.00 0.00 32.23 33.05 1i9a h LYS 1056CO 0.52 1.06 -0.64 0.00 -2.27 0.00 0.00 179.45 178.12 1i9a s ALA 1057N -3.65 3.19 -1.52 5.00 0.00 -1.26 -4.64 121.76 118.89 1i9a s ALA 1057Ca -0.13 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 1i9a s ALA 1057Cb 0.05 -1.41 0.08 0.00 0.00 0.00 0.00 23.12 21.84 1i9a s ALA 1057CO 0.83 0.57 0.90 0.91 0.00 0.00 0.00 175.76 178.96 1i9a n TRP 1058N 2.23 -2.16 -1.62 0.00 8.01 -1.26 -4.90 117.44 117.74 1i9a n TRP 1058Ca -0.18 0.88 -0.42 0.00 -1.31 0.00 0.00 57.50 56.47 1i9a n TRP 1058Cb 0.53 -3.91 0.01 0.00 -2.01 0.00 0.00 31.31 25.93 1i9a n TRP 1058CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 1i9a n PRO 1059N -4.59 1.41 -4.09 -0.99 -0.02 -1.26 -2.56 135.00 122.91 1i9a n PRO 1059Ca -0.02 0.50 -0.32 0.00 -2.02 0.00 0.00 63.50 61.65 1i9a n PRO 1059Cb 0.55 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 1i9a n PRO 1059CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i9a n GLY 1060N 1.15 -0.39 3.45 -1.23 0.00 0.15 -4.90 105.19 103.42 1i9a n GLY 1060Ca 0.09 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1i9a n GLY 1060CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i9a s VAL 1061N -3.47 3.27 0.27 1.61 1.01 -1.06 -4.85 120.40 117.18 1i9a s VAL 1061Ca 0.52 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 1i9a s VAL 1061Cb -0.28 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 1i9a s VAL 1061CO 0.90 0.55 1.13 0.26 0.00 0.00 0.00 175.10 177.94 1i9a s TRP 1062N -0.17 3.52 0.28 5.22 0.52 -1.26 -2.03 118.94 125.02 1i9a s TRP 1062Ca 0.01 1.65 -0.07 0.00 0.02 0.00 0.00 56.10 57.70 1i9a s TRP 1062Cb -0.13 -3.33 0.03 0.00 -1.15 0.00 0.00 33.47 28.88 1i9a s TRP 1062CO 0.03 -0.73 0.50 -2.37 0.02 0.00 0.00 176.95 174.40 1i9a n THR 1063N 1.32 0.00 -2.16 2.01 5.66 0.39 -1.01 114.28 120.49 1i9a n THR 1063Ca -0.00 -0.96 -0.33 0.00 -3.05 0.00 0.00 64.05 59.71 1i9a n THR 1063Cb 0.45 0.76 -0.00 0.00 -1.55 0.00 0.00 70.33 69.99 1i9a n THR 1063CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1i9a s ASN 1064N -2.56 5.98 0.00 1.09 4.22 -1.26 -1.98 114.94 120.42 1i9a s ASN 1064Ca 0.15 1.80 0.00 0.00 -2.14 0.00 0.00 52.86 52.67 1i9a s ASN 1064Cb -0.03 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 39.97 1i9a s ASN 1064CO 0.11 -1.03 0.01 -1.20 -2.04 0.00 0.00 177.10 172.95 1i9a n SER 1065N -1.83 0.00 -3.85 3.54 7.64 -1.17 -4.56 113.62 113.39 1i9a n SER 1065Ca 0.08 0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.86 1i9a n SER 1065Cb 0.53 -0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.61 1i9a n SER 1065CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1i9a s VAL 1066N -1.67 0.04 0.18 0.44 1.01 -1.09 -4.63 120.40 114.68 1i9a s VAL 1066Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1i9a s VAL 1066Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1i9a s VAL 1066CO 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 175.10 175.06 1i9a n GLY 1068N -0.22 -0.59 2.98 0.00 0.00 -0.73 -5.00 105.19 101.63 1i9a n GLY 1068Ca -0.01 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 1i9a n GLY 1068CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i9a s HIS 1069N -3.00 1.64 0.45 1.61 0.09 -1.26 -1.52 115.29 113.30 1i9a s HIS 1069Ca 0.00 -0.77 -0.24 0.00 -0.00 0.00 0.00 55.06 54.05 1i9a s HIS 1069Cb 0.00 -1.26 -0.07 0.00 -0.00 0.00 0.00 32.58 31.25 1i9a s HIS 1069CO 0.00 -0.46 1.24 -2.14 -0.00 0.00 0.00 174.74 173.39 1i9a s PRO 1070N 1.26 3.75 0.17 8.40 0.02 -1.26 -4.98 135.00 142.37 1i9a s PRO 1070Ca -0.03 1.99 -0.13 0.00 0.02 0.00 0.00 61.00 62.85 1i9a s PRO 1070Cb -0.14 -2.53 -0.07 0.00 0.02 0.00 0.00 34.50 31.78 1i9a s PRO 1070CO -0.04 -0.62 0.55 -0.65 -0.33 0.00 0.00 177.00 175.92 1i9a s GLN 1071N -2.53 3.93 -0.31 5.54 -1.52 -1.26 -4.48 119.66 119.03 1i9a s GLN 1071Ca 0.62 0.44 -0.43 0.00 -1.95 0.00 0.00 55.36 54.03 1i9a s GLN 1071Cb -0.34 -2.84 -0.18 0.00 -0.22 0.00 0.00 33.01 29.43 1i9a s GLN 1071CO 0.42 0.42 1.54 -0.11 -0.25 0.00 0.00 175.29 177.31 1i9a n LEU 1072N 0.51 1.40 0.00 2.90 0.00 -1.26 0.42 117.00 120.97 1i9a n LEU 1072Ca -0.03 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.12 1i9a n LEU 1072Cb 0.52 -0.99 0.00 0.00 0.00 0.00 0.00 43.42 42.95 1i9a n LEU 1072CO 0.43 -0.90 0.00 0.61 0.00 0.00 0.00 177.39 177.53 1i9a n GLY 1073N 3.55 0.78 3.76 -3.96 0.00 -1.26 -5.04 105.19 103.01 1i9a n GLY 1073Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 1i9a n GLY 1073CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i9a s GLU 1074N -0.44 3.52 0.65 1.61 2.12 0.17 -5.09 118.70 121.24 1i9a s GLU 1074Ca 0.00 -0.26 -0.13 0.00 0.36 0.00 0.00 54.97 54.94 1i9a s GLU 1074Cb 0.00 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 1i9a s GLU 1074CO 0.00 0.60 1.06 -1.54 -0.54 0.00 0.00 175.26 174.84 1i9a s SER 1075N -0.54 5.53 0.25 -1.70 1.04 -1.26 -4.62 113.70 112.40 1i9a s SER 1075Ca 0.11 1.70 -0.04 0.00 0.48 0.00 0.00 55.95 58.21 1i9a s SER 1075Cb -0.12 -2.51 0.29 0.00 0.10 0.00 0.00 66.02 63.78 1i9a s SER 1075CO 0.02 -1.34 1.77 0.78 0.98 0.00 0.00 173.24 175.45 1i9a h ASN 1076N -0.25 0.86 -0.48 7.02 2.35 -1.98 -1.14 115.58 121.97 1i9a h ASN 1076Ca -0.45 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.01 1i9a h ASN 1076Cb 1.21 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.34 1i9a h ASN 1076CO 0.57 0.87 -0.09 1.05 -1.65 0.00 0.00 177.43 178.18 1i9a h GLU 1077N 0.86 0.95 0.00 0.81 9.09 -1.94 -1.18 114.58 123.17 1i9a h GLU 1077Ca 0.18 -0.33 -0.05 0.00 0.05 0.00 0.00 59.36 59.21 1i9a h GLU 1077Cb 0.38 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 1i9a h GLU 1077CO 0.01 0.99 -0.26 -0.44 0.05 0.00 0.00 179.01 179.36 1i9a h ASP 1078N 0.85 0.00 -0.22 3.06 3.32 -1.87 -1.20 116.42 120.35 1i9a h ASP 1078Ca 0.14 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1i9a h ASP 1078Cb 0.62 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1i9a h ASP 1078CO 0.04 0.26 -0.28 0.00 -1.72 0.00 0.00 179.24 177.54 1i9a h ALA 1079N 1.74 0.33 -0.44 3.45 0.00 -0.59 -2.19 119.26 121.57 1i9a h ALA 1079Ca -0.00 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1i9a h ALA 1079Cb 0.61 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1i9a h ALA 1079CO 0.03 0.33 0.24 0.28 0.00 0.00 0.00 179.25 180.14 1i9a h VAL 1080N 0.27 1.01 -0.40 0.00 2.07 -0.53 -1.86 116.25 116.81 1i9a h VAL 1080Ca 0.03 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1i9a h VAL 1080Cb 0.85 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1i9a h VAL 1080CO 0.07 0.09 0.15 0.40 0.02 0.00 0.00 177.57 178.30 1i9a h ILE 1081N 0.49 1.16 -0.05 4.57 2.04 -1.23 -1.63 117.51 122.86 1i9a h ILE 1081Ca 0.18 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1i9a h ILE 1081Cb 0.05 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1i9a h ILE 1081CO -0.10 0.19 -0.07 -0.09 0.00 0.00 0.00 178.15 178.08 1i9a h ARG 1082N 0.56 0.13 -0.46 2.37 2.43 -0.69 -2.68 114.38 116.04 1i9a h ARG 1082Ca 0.14 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1i9a h ARG 1082Cb 0.13 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1i9a h ARG 1082CO -0.01 0.61 -0.21 0.00 -1.51 0.00 0.00 179.97 178.86 1i9a h ARG 1083N -0.34 0.92 -0.64 0.20 2.47 -1.29 0.91 114.38 116.62 1i9a h ARG 1083Ca 0.01 -0.38 0.06 0.00 -1.26 0.00 0.00 59.98 58.40 1i9a h ARG 1083Cb 0.60 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.84 1i9a h ARG 1083CO 0.02 1.04 0.42 0.00 0.56 0.00 0.00 179.97 182.00 1i9a h ARG 1085N 0.66 0.17 -0.08 0.00 3.08 -1.08 -1.81 114.38 115.32 1i9a h ARG 1085Ca 0.27 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1i9a h ARG 1085Cb 0.24 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1i9a h ARG 1085CO -0.08 0.87 0.02 -0.92 -1.07 0.00 0.00 179.97 178.79 1i9a h TYR 1086N -0.46 0.13 0.01 3.04 3.20 -0.13 0.15 116.97 122.91 1i9a h TYR 1086Ca -0.02 -0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.57 1i9a h TYR 1086Cb 0.93 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1i9a h TYR 1086CO 0.17 0.30 -1.46 0.93 -1.64 0.00 0.00 178.16 176.46 1i9a h GLU 1087N -0.08 0.02 -0.00 1.82 5.08 -0.36 -3.40 114.58 117.65 1i9a h GLU 1087Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1i9a h GLU 1087Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1i9a h GLU 1087CO -0.00 0.72 -0.02 1.28 -1.00 0.00 0.00 179.01 179.99 1i9a n LEU 1088N -3.18 0.66 -2.06 1.33 4.77 -0.98 -1.63 117.00 115.92 1i9a n LEU 1088Ca -0.11 -0.80 -0.12 0.00 -0.03 0.00 0.00 56.01 54.95 1i9a n LEU 1088Cb 1.01 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.08 1i9a n LEU 1088CO 0.46 0.16 -0.14 0.61 -1.33 0.00 0.00 177.39 177.15 1i9a n GLY 1089N 0.44 0.07 3.70 -0.72 0.00 0.51 -0.59 105.19 108.59 1i9a n GLY 1089Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1i9a n GLY 1089CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i9a s VAL 1090N -2.39 4.02 0.06 1.61 0.11 -0.97 -4.04 120.40 118.81 1i9a s VAL 1090Ca 0.00 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 1i9a s VAL 1090Cb 0.00 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.86 1i9a s VAL 1090CO 0.00 0.05 0.19 -1.61 -3.33 0.00 0.00 175.10 170.39 1i9a s GLU 1091N -2.53 3.34 0.06 1.54 0.41 -1.26 -3.67 118.70 116.59 1i9a s GLU 1091Ca 0.27 -0.48 -0.00 0.00 -0.41 0.00 0.00 54.97 54.34 1i9a s GLU 1091Cb -0.11 -2.99 -0.04 0.00 -1.78 0.00 0.00 34.13 29.22 1i9a s GLU 1091CO 0.19 0.60 -0.04 0.96 -0.49 0.00 0.00 175.26 176.49 1i9a s ILE 1092N -1.48 0.33 0.91 -1.63 -4.36 -1.26 -0.44 121.20 113.26 1i9a s ILE 1092Ca 0.34 -1.76 -0.11 0.00 -0.26 0.00 0.00 60.65 58.85 1i9a s ILE 1092Cb -0.13 -1.45 0.14 0.00 1.25 0.00 0.00 42.46 42.26 1i9a s ILE 1092CO 0.27 -0.93 1.09 0.42 0.24 0.00 0.00 174.94 176.03 1i9a s THR 1093N -3.64 2.61 -0.20 8.37 -4.23 0.85 -4.86 115.64 114.54 1i9a s THR 1093Ca 0.06 0.20 -0.34 0.00 -1.18 0.00 0.00 61.69 60.44 1i9a s THR 1093Cb 0.06 -2.64 -0.10 0.00 1.34 0.00 0.00 72.50 71.16 1i9a s THR 1093CO -0.08 -0.26 2.04 -2.65 -0.54 0.00 0.00 174.62 173.13 1i9a n PRO 1094N -3.95 1.76 -1.66 3.99 -0.02 -1.26 -4.51 135.00 129.36 1i9a n PRO 1094Ca 0.07 0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 1i9a n PRO 1094Cb 0.55 -2.69 0.05 0.00 -0.02 0.00 0.00 33.50 31.39 1i9a n PRO 1094CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1i9a n PRO 1095N 7.52 1.18 -4.15 0.52 -0.02 -1.26 -4.87 135.00 133.93 1i9a n PRO 1095Ca 0.30 0.45 -0.16 0.00 -2.02 0.00 0.00 63.50 62.07 1i9a n PRO 1095Cb 0.30 -2.28 -0.14 0.00 -0.02 0.00 0.00 33.50 31.35 1i9a n PRO 1095CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1i9a s GLU 1096N -2.73 0.41 0.21 -0.52 -1.05 -0.40 -4.94 118.70 109.68 1i9a s GLU 1096Ca 0.73 -0.18 -0.31 0.00 -0.15 0.00 0.00 54.97 55.07 1i9a s GLU 1096Cb -0.43 -0.39 -0.15 0.00 -0.44 0.00 0.00 34.13 32.71 1i9a s GLU 1096CO 0.48 0.11 1.11 0.45 0.95 0.00 0.00 175.26 178.36 1i9a n SER 1097N 2.97 1.31 -0.01 0.83 2.88 -1.26 -1.58 113.62 118.76 1i9a n SER 1097Ca -0.13 1.15 -0.01 0.00 -1.33 0.00 0.00 58.87 58.55 1i9a n SER 1097Cb 0.58 -1.24 -0.01 0.00 -0.75 0.00 0.00 64.21 62.79 1i9a n SER 1097CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1i9a n ILE 1098N 1.06 0.09 -3.15 2.46 2.08 0.73 -4.80 119.36 117.83 1i9a n ILE 1098Ca 0.13 -0.04 -0.08 0.00 0.56 0.00 0.00 62.75 63.32 1i9a n ILE 1098Cb 0.27 -0.64 -0.03 0.00 -0.75 0.00 0.00 39.64 38.49 1i9a n ILE 1098CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1i9a s TYR 1099N -2.03 -0.99 0.16 1.39 5.04 -0.71 -4.49 117.35 115.71 1i9a s TYR 1099Ca -0.02 -0.55 -0.18 0.00 -2.44 0.00 0.00 57.07 53.88 1i9a s TYR 1099Cb 0.01 -0.02 0.06 0.00 0.35 0.00 0.00 41.96 42.36 1i9a s TYR 1099CO 0.04 -1.11 1.67 -1.35 -1.34 0.00 0.00 175.55 173.47 1i9a h PRO 1100N 6.34 -0.02 -0.55 4.97 0.11 -1.92 -1.04 132.00 139.90 1i9a h PRO 1100Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1i9a h PRO 1100Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1i9a h PRO 1100CO 0.13 -0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 177.66 1i9a n ASP 1101N -5.29 2.73 -4.71 -2.05 8.00 -1.26 -4.39 116.55 109.58 1i9a n ASP 1101Ca 0.01 -2.20 -0.42 0.00 0.71 0.00 0.00 54.79 52.89 1i9a n ASP 1101Cb 0.20 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1i9a n ASP 1101CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1i9a s PHE 1102N -1.65 2.66 0.09 1.24 5.36 -1.21 -4.92 117.98 119.55 1i9a s PHE 1102Ca 0.28 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 1i9a s PHE 1102Cb 0.18 -4.14 -0.04 0.00 -0.34 0.00 0.00 43.02 38.67 1i9a s PHE 1102CO 0.15 -4.46 -0.03 1.03 -1.46 0.00 0.00 175.22 170.44 1i9a s ARG 1103N 1.70 0.78 0.00 10.12 0.52 -1.26 -0.50 118.95 130.30 1i9a s ARG 1103Ca 0.77 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1i9a s ARG 1103Cb -0.48 0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.00 1i9a s ARG 1103CO 0.33 -0.09 0.00 2.48 0.02 0.00 0.00 175.30 178.04 1i9a n TYR 1104N -0.00 0.00 -3.73 -0.53 0.18 -0.81 -4.92 117.16 107.34 1i9a n TYR 1104Ca -0.12 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.52 1i9a n TYR 1104Cb 0.61 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.42 1i9a n TYR 1104CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1i9a s ARG 1105N -2.00 0.05 0.16 -3.48 3.52 -1.26 -1.31 118.95 114.64 1i9a s ARG 1105Ca 0.00 0.38 -0.07 0.00 -0.13 0.00 0.00 55.73 55.90 1i9a s ARG 1105Cb 0.00 -0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.15 1i9a s ARG 1105CO 0.00 -0.20 0.24 0.00 -0.81 0.00 0.00 175.30 174.53 1i9a s ALA 1106N 1.40 0.21 -0.15 6.12 0.00 -0.55 -4.98 121.76 123.81 1i9a s ALA 1106Ca -0.06 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1i9a s ALA 1106Cb -0.12 0.89 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1i9a s ALA 1106CO -0.05 -0.62 -0.17 0.99 0.00 0.00 0.00 175.76 175.91 1i9a s THR 1107N -3.99 1.73 1.05 0.00 2.01 -1.26 -1.14 115.64 114.03 1i9a s THR 1107Ca 0.20 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 1i9a s THR 1107Cb 0.04 -1.59 0.21 0.00 0.01 0.00 0.00 72.50 71.18 1i9a s THR 1107CO 0.01 0.49 1.11 1.51 -0.69 0.00 0.00 174.62 177.05 1i9a s ASP 1108N 1.28 2.24 0.59 3.53 3.84 0.13 -4.87 116.67 123.41 1i9a s ASP 1108Ca 0.02 0.95 0.29 0.00 -0.00 0.00 0.00 52.55 53.80 1i9a s ASP 1108Cb -0.14 -1.46 1.42 0.00 -1.38 0.00 0.00 42.92 41.37 1i9a s ASP 1108CO -0.09 -3.34 1.83 -0.65 -0.00 0.00 0.00 175.17 172.92 1i9a h PRO 1109N -2.04 0.00 -0.40 2.11 0.11 -1.99 -2.20 132.00 127.58 1i9a h PRO 1109Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1i9a h PRO 1109Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1i9a h PRO 1109CO 0.51 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 1i9a n SER 1110N -3.63 3.08 0.00 -2.05 3.41 -1.26 -4.98 113.62 108.19 1i9a n SER 1110Ca 0.10 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1i9a n SER 1110Cb 0.76 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1i9a n SER 1110CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9a n GLY 1111N 0.78 1.47 3.71 5.00 0.00 -0.83 -5.08 105.19 110.25 1i9a n GLY 1111Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1i9a n GLY 1111CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i9a s ILE 1112N -2.20 3.10 0.03 -0.61 -1.09 -1.26 -4.26 121.20 114.92 1i9a s ILE 1112Ca 0.00 0.78 0.03 0.00 -2.23 0.00 0.00 60.65 59.22 1i9a s ILE 1112Cb 0.00 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1i9a s ILE 1112CO 0.00 0.06 0.01 -0.69 -1.23 0.00 0.00 174.94 173.09 1i9a s VAL 1113N 1.20 4.16 -0.07 2.92 1.01 -0.72 0.21 120.40 129.11 1i9a s VAL 1113Ca 0.66 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1i9a s VAL 1113Cb -0.39 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 1i9a s VAL 1113CO 0.30 0.27 -0.21 -1.61 0.00 0.00 0.00 175.10 173.85 1i9a s GLU 1114N -1.87 2.45 -0.25 2.72 0.41 -0.29 -4.52 118.70 117.34 1i9a s GLU 1114Ca 0.22 -0.76 -0.03 0.00 -0.41 0.00 0.00 54.97 53.99 1i9a s GLU 1114Cb -0.12 -1.98 0.08 0.00 -1.78 0.00 0.00 34.13 30.34 1i9a s GLU 1114CO 0.14 0.23 0.08 1.21 -0.49 0.00 0.00 175.26 176.43 1i9a s ASN 1115N 0.18 3.37 0.06 -0.19 3.04 -1.26 -1.48 114.94 118.66 1i9a s ASN 1115Ca -0.11 -1.17 -0.01 0.00 0.04 0.00 0.00 52.86 51.61 1i9a s ASN 1115Cb -0.15 -0.58 -0.04 0.00 -1.54 0.00 0.00 41.25 38.94 1i9a s ASN 1115CO 0.05 -0.38 -0.02 -1.61 -3.04 0.00 0.00 177.10 172.11 1i9a s GLU 1116N 1.87 0.67 -0.48 0.43 2.02 -0.43 -2.07 118.70 120.72 1i9a s GLU 1116Ca 0.05 -1.26 -0.03 0.00 0.02 0.00 0.00 54.97 53.75 1i9a s GLU 1116Cb -0.17 0.20 0.13 0.00 0.10 0.00 0.00 34.13 34.39 1i9a s GLU 1116CO -0.21 -0.13 0.28 0.08 0.02 0.00 0.00 175.26 175.30 1i9a s VAL 1117N -3.93 3.48 -0.88 2.63 1.01 -0.88 -1.92 120.40 119.91 1i9a s VAL 1117Ca 0.10 -2.30 -0.04 0.00 0.00 0.00 0.00 61.98 59.74 1i9a s VAL 1117Cb 0.08 -3.35 0.22 0.00 0.00 0.00 0.00 36.38 33.33 1i9a s VAL 1117CO -0.08 -0.75 0.79 0.00 0.00 0.00 0.00 175.10 175.05 1i9a n PRO 1119N 2.74 2.71 -4.51 0.00 -0.02 -1.23 -4.25 135.00 130.45 1i9a n PRO 1119Ca 0.19 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 62.28 1i9a n PRO 1119Cb 0.38 -2.71 -0.11 0.00 -0.02 0.00 0.00 33.50 31.04 1i9a n PRO 1119CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i9a s VAL 1120N -0.67 3.92 0.36 -1.45 1.01 -0.40 -2.01 120.40 121.16 1i9a s VAL 1120Ca 0.57 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1i9a s VAL 1120Cb -0.48 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 1i9a s VAL 1120CO 0.58 0.58 0.06 -0.36 0.00 0.00 0.00 175.10 175.96 1i9a s PHE 1121N -0.60 2.00 0.00 5.22 0.40 0.21 -0.19 117.98 125.03 1i9a s PHE 1121Ca 0.09 -0.97 -0.05 0.00 -0.60 0.00 0.00 56.93 55.40 1i9a s PHE 1121Cb -0.12 -1.35 -0.00 0.00 0.51 0.00 0.00 43.02 42.06 1i9a s PHE 1121CO 0.02 0.03 0.09 0.00 0.70 0.00 0.00 175.22 176.06 1i9a s ALA 1122N -3.19 -0.20 0.36 5.36 0.00 -0.61 -1.08 121.76 122.39 1i9a s ALA 1122Ca 0.33 -0.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 1i9a s ALA 1122Cb 0.08 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.34 1i9a s ALA 1122CO 0.15 -0.19 0.74 0.00 0.00 0.00 0.00 175.76 176.47 1i9a s ALA 1123N -1.31 -0.70 -0.06 0.00 0.00 -0.77 -1.28 121.76 117.64 1i9a s ALA 1123Ca -0.14 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.13 1i9a s ALA 1123Cb -0.08 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1i9a s ALA 1123CO 0.01 -0.98 -0.17 1.03 0.00 0.00 0.00 175.76 175.65 1i9a s ARG 1124N -2.73 2.57 0.25 0.00 3.00 -1.26 -2.13 118.95 118.64 1i9a s ARG 1124Ca 0.16 -0.76 -0.30 0.00 0.00 0.00 0.00 55.73 54.84 1i9a s ARG 1124Cb -0.05 -2.33 -0.09 0.00 0.00 0.00 0.00 34.95 32.48 1i9a s ARG 1124CO 0.11 0.53 1.05 0.95 0.00 0.00 0.00 175.30 177.94 1i9a s THR 1125N -0.49 3.75 -0.11 0.02 -4.23 -0.64 -0.10 115.64 113.84 1i9a s THR 1125Ca 0.06 1.71 0.01 0.00 -1.18 0.00 0.00 61.69 62.29 1i9a s THR 1125Cb -0.12 -4.09 0.01 0.00 1.34 0.00 0.00 72.50 69.64 1i9a s THR 1125CO 0.01 0.39 0.53 0.35 -0.54 0.00 0.00 174.62 175.35 1i9a n THR 1126N 1.52 0.00 -3.95 3.99 -2.24 0.41 -4.29 114.28 109.72 1i9a n THR 1126Ca -0.01 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.19 1i9a n THR 1126Cb 0.46 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.62 1i9a n THR 1126CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i9a s SER 1127N -0.07 0.27 0.81 3.42 1.04 -1.24 -4.94 113.70 112.98 1i9a s SER 1127Ca 0.01 -0.76 -0.12 0.00 0.48 0.00 0.00 55.95 55.56 1i9a s SER 1127Cb 0.01 0.27 0.08 0.00 0.10 0.00 0.00 66.02 66.48 1i9a s SER 1127CO 0.01 -0.65 1.13 0.00 0.98 0.00 0.00 173.24 174.72 1i9a s ALA 1128N -3.68 1.97 0.30 5.32 0.00 -1.26 -4.44 121.76 119.98 1i9a s ALA 1128Ca 0.04 0.52 -0.27 0.00 0.00 0.00 0.00 51.96 52.25 1i9a s ALA 1128Cb 0.05 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1i9a s ALA 1128CO -0.10 -2.10 0.96 -0.51 0.00 0.00 0.00 175.76 174.02 1i9a s LEU 1129N -5.93 4.43 -0.44 0.00 1.43 -1.26 -4.42 118.68 112.48 1i9a s LEU 1129Ca 0.66 1.91 0.04 0.00 -1.03 0.00 0.00 54.13 55.71 1i9a s LEU 1129Cb -0.22 -3.89 0.16 0.00 0.03 0.00 0.00 46.19 42.28 1i9a s LEU 1129CO 0.53 -0.04 0.34 -1.10 0.23 0.00 0.00 176.35 176.31 1i9a s GLN 1130N -1.80 1.07 0.40 1.70 -1.52 0.24 -4.99 119.66 114.76 1i9a s GLN 1130Ca 0.48 -2.16 -0.26 0.00 -1.95 0.00 0.00 55.36 51.47 1i9a s GLN 1130Cb -0.22 -1.70 -0.10 0.00 -0.22 0.00 0.00 33.01 30.77 1i9a s GLN 1130CO 0.28 -1.34 1.24 -0.89 -0.25 0.00 0.00 175.29 174.33 1i9a n ILE 1131N 2.92 2.42 -3.48 1.08 2.08 -1.25 -2.85 119.36 120.28 1i9a n ILE 1131Ca 0.25 -0.50 -0.43 0.00 0.56 0.00 0.00 62.75 62.64 1i9a n ILE 1131Cb 0.44 -1.52 -0.06 0.00 -0.75 0.00 0.00 39.64 37.75 1i9a n ILE 1131CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1i9a s ASN 1132N -0.51 5.97 0.00 4.38 3.84 -0.64 -4.94 114.94 123.04 1i9a s ASN 1132Ca 0.60 -2.18 0.00 0.00 0.21 0.00 0.00 52.86 51.49 1i9a s ASN 1132Cb -0.53 -2.08 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1i9a s ASN 1132CO 0.59 -0.66 0.69 -0.90 -2.79 0.00 0.00 177.10 174.03 1i9a n ASP 1133N 4.59 0.00 0.14 -4.21 5.75 -1.26 0.18 116.55 121.75 1i9a n ASP 1133Ca -0.02 0.24 0.08 0.00 -0.01 0.00 0.00 54.79 55.07 1i9a n ASP 1133Cb 0.41 -0.24 0.05 0.00 -1.03 0.00 0.00 41.12 40.32 1i9a n ASP 1133CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1i9a h ASP 1134N 0.00 0.00 0.00 -1.12 3.32 -1.95 -3.39 116.42 113.28 1i9a h ASP 1134Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1i9a h ASP 1134Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1i9a h ASP 1134CO 0.00 0.18 -1.52 -0.62 -1.72 0.00 0.00 179.24 175.56 1i9a n GLU 1135N -2.96 0.22 -4.63 3.56 -0.58 0.13 -4.66 120.64 111.72 1i9a n GLU 1135Ca 0.00 0.06 -0.29 0.00 -0.42 0.00 0.00 57.16 56.52 1i9a n GLU 1135Cb 0.62 -1.12 -0.09 0.00 -0.57 0.00 0.00 31.44 30.29 1i9a n GLU 1135CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1i9a s VAL 1136N -2.18 1.18 1.10 2.62 1.01 -0.41 -0.56 120.40 123.17 1i9a s VAL 1136Ca -0.12 -2.00 -0.15 0.00 0.00 0.00 0.00 61.98 59.70 1i9a s VAL 1136Cb 0.03 -2.46 0.15 0.00 0.00 0.00 0.00 36.38 34.11 1i9a s VAL 1136CO 0.20 0.00 0.43 -0.67 0.00 0.00 0.00 175.10 175.06 1i9a n ASP 1138N -1.14 -1.97 -3.50 3.32 2.03 -1.25 -4.11 116.55 109.94 1i9a n ASP 1138Ca -0.11 -0.02 -0.10 0.00 0.52 0.00 0.00 54.79 55.08 1i9a n ASP 1138Cb 0.66 -1.12 -0.03 0.00 -0.72 0.00 0.00 41.12 39.92 1i9a n ASP 1138CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1i9a s TYR 1139N -2.34 -0.40 -0.00 -0.67 -0.85 -1.26 -1.30 117.35 110.53 1i9a s TYR 1139Ca 0.60 0.33 0.00 0.00 -0.52 0.00 0.00 57.07 57.49 1i9a s TYR 1139Cb -0.18 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.69 1i9a s TYR 1139CO 0.66 -0.58 -0.01 -0.65 -1.52 0.00 0.00 175.55 173.45 1i9a s GLN 1140N -2.90 0.09 -0.30 -3.49 -1.52 0.47 -5.00 119.66 107.01 1i9a s GLN 1140Ca 0.03 -0.02 -0.09 0.00 -1.95 0.00 0.00 55.36 53.32 1i9a s GLN 1140Cb -0.01 -0.11 -0.01 0.00 -0.22 0.00 0.00 33.01 32.66 1i9a s GLN 1140CO -0.07 0.00 0.14 -1.58 -0.25 0.00 0.00 175.29 173.53 1i9a s TRP 1141N 0.09 3.17 0.00 0.91 0.23 -1.26 -0.94 118.94 121.13 1i9a s TRP 1141Ca -0.01 -0.48 0.00 0.00 -2.03 0.00 0.00 56.10 53.58 1i9a s TRP 1141Cb -0.02 -2.34 0.00 0.00 0.03 0.00 0.00 33.47 31.14 1i9a s TRP 1141CO -0.00 -0.41 0.00 0.00 0.96 0.00 0.00 176.95 177.49 1i9a s ASP 1143N -0.41 6.25 0.21 0.00 1.01 -1.26 0.95 116.67 123.42 1i9a s ASP 1143Ca 0.00 0.37 -0.09 0.00 0.71 0.00 0.00 52.55 53.54 1i9a s ASP 1143Cb 0.00 -2.04 0.31 0.00 1.01 0.00 0.00 42.92 42.20 1i9a s ASP 1143CO 0.00 0.34 1.71 0.25 0.21 0.00 0.00 175.17 177.67 1i9a h LEU 1144N 5.52 0.02 -0.33 1.23 5.85 -1.92 -2.23 115.31 123.45 1i9a h LEU 1144Ca -0.50 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.40 1i9a h LEU 1144Cb 1.20 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 1i9a h LEU 1144CO 0.63 0.01 -0.40 0.00 -0.34 0.00 0.00 178.44 178.34 1i9a h ALA 1145N 1.49 -0.42 -0.55 1.25 0.00 -1.99 0.20 119.26 119.24 1i9a h ALA 1145Ca 0.32 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.35 1i9a h ALA 1145Cb 0.49 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1i9a h ALA 1145CO -0.41 -0.85 0.26 -0.44 0.00 0.00 0.00 179.25 177.81 1i9a h ASP 1146N -0.35 0.34 -0.61 0.00 3.32 -1.85 -1.27 116.42 116.01 1i9a h ASP 1146Ca 0.13 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.25 1i9a h ASP 1146Cb 0.58 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 1i9a h ASP 1146CO -0.52 0.23 0.37 0.58 -1.72 0.00 0.00 179.24 178.18 1i9a h VAL 1147N 0.49 1.06 -0.74 -1.35 2.07 -0.64 0.55 116.25 117.70 1i9a h VAL 1147Ca 0.26 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1i9a h VAL 1147Cb 0.21 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1i9a h VAL 1147CO -0.20 0.13 0.48 -0.07 0.02 0.00 0.00 177.57 177.93 1i9a h LEU 1148N 0.72 0.81 -0.45 2.57 3.38 0.19 0.42 115.31 122.96 1i9a h LEU 1148Ca 0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1i9a h LEU 1148Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1i9a h LEU 1148CO -0.11 0.57 0.24 0.45 0.09 0.00 0.00 178.44 179.68 1i9a h HIS 1149N 0.96 0.63 -0.33 1.13 3.86 -0.60 -0.25 115.15 120.54 1i9a h HIS 1149Ca 0.28 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.53 1i9a h HIS 1149Cb -0.05 -0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.17 1i9a h HIS 1149CO -0.03 0.48 0.00 0.78 0.86 0.00 0.00 177.93 180.03 1i9a h GLY 1150N 0.59 0.33 1.34 2.45 0.00 -0.15 -1.58 103.07 106.05 1i9a h GLY 1150Ca 0.16 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 1i9a h GLY 1150CO -0.02 -0.07 0.17 -2.22 0.00 0.00 0.00 176.54 174.39 1i9a h ILE 1151N 0.10 1.22 -0.15 2.60 2.04 -0.40 0.07 117.51 122.99 1i9a h ILE 1151Ca 0.16 -0.75 -0.13 0.00 1.00 0.00 0.00 64.86 65.14 1i9a h ILE 1151Cb 0.22 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1i9a h ILE 1151CO -0.27 0.29 -0.47 0.44 0.00 0.00 0.00 178.15 178.14 1i9a h ASP 1152N 0.81 0.41 0.15 1.72 3.32 -0.48 -3.06 116.42 119.30 1i9a h ASP 1152Ca 0.18 -0.19 -0.33 0.00 0.02 0.00 0.00 57.03 56.71 1i9a h ASP 1152Cb 0.24 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1i9a h ASP 1152CO -0.01 0.82 -1.70 0.00 -1.72 0.00 0.00 179.24 176.63 1i9a h ALA 1153N 1.20 0.21 -2.12 3.45 0.00 -1.07 -3.42 119.26 117.50 1i9a h ALA 1153Ca 0.02 -1.17 -0.57 0.00 0.00 0.00 0.00 54.91 53.18 1i9a h ALA 1153Cb 0.94 0.51 -0.40 0.00 0.00 0.00 0.00 17.79 18.85 1i9a h ALA 1153CO 0.08 1.02 -0.97 0.25 0.00 0.00 0.00 179.25 179.63 1i9a n THR 1154N -3.68 -0.04 -0.23 0.00 -2.24 -0.01 -4.96 114.28 103.11 1i9a n THR 1154Ca -0.26 -4.22 0.04 0.00 -2.27 0.00 0.00 64.05 57.33 1i9a n THR 1154Cb 1.02 -1.96 0.16 0.00 -2.10 0.00 0.00 70.33 67.45 1i9a n THR 1154CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1i9a h PRO 1155N 4.28 0.28 0.00 -0.78 0.11 -1.72 -2.23 132.00 131.94 1i9a h PRO 1155Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1i9a h PRO 1155Cb 0.83 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1i9a h PRO 1155CO 0.54 0.18 0.15 -2.67 -0.21 0.00 0.00 178.00 175.99 1i9a n TRP 1156N -5.13 0.33 1.17 0.65 4.27 -1.26 -0.94 117.44 116.52 1i9a n TRP 1156Ca 0.12 0.17 0.08 0.00 -3.89 0.00 0.00 57.50 53.99 1i9a n TRP 1156Cb 0.41 -0.66 0.28 0.00 -1.36 0.00 0.00 31.31 29.98 1i9a n TRP 1156CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1i9a n ALA 1157N -1.54 2.49 -2.17 -1.67 0.00 -0.84 -4.89 120.51 111.89 1i9a n ALA 1157Ca -0.01 -0.51 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 1i9a n ALA 1157Cb 0.16 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 1i9a n ALA 1157CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1i9a s PHE 1158N -1.71 0.96 0.63 0.00 0.40 -0.12 -4.21 117.98 113.93 1i9a s PHE 1158Ca 0.27 -1.24 -0.18 0.00 -0.60 0.00 0.00 56.93 55.18 1i9a s PHE 1158Cb 0.14 -0.53 -0.02 0.00 0.51 0.00 0.00 43.02 43.13 1i9a s PHE 1158CO 0.21 -0.51 1.27 -1.54 0.70 0.00 0.00 175.22 175.35 1i9a s SER 1159N -3.09 4.79 0.30 1.36 1.04 -0.18 -4.89 113.70 113.04 1i9a s SER 1159Ca 0.27 2.56 -0.01 0.00 0.48 0.00 0.00 55.95 59.25 1i9a s SER 1159Cb 0.07 -2.61 0.47 0.00 0.10 0.00 0.00 66.02 64.05 1i9a s SER 1159CO 0.04 -1.87 1.94 -0.65 0.98 0.00 0.00 173.24 173.68 1i9a h PRO 1160N 0.67 1.07 -1.72 4.02 0.11 -1.92 -2.66 132.00 131.57 1i9a h PRO 1160Ca -0.51 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1i9a h PRO 1160Cb 1.33 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1i9a h PRO 1160CO 0.54 0.71 0.00 -2.67 -0.21 0.00 0.00 178.00 176.36 1i9a n TRP 1161N -4.44 0.00 -0.42 0.65 2.14 -1.26 -4.66 117.44 109.45 1i9a n TRP 1161Ca 0.11 -0.62 0.00 0.00 2.07 0.00 0.00 57.50 59.06 1i9a n TRP 1161Cb 0.09 -0.36 0.00 0.00 -0.81 0.00 0.00 31.31 30.24 1i9a n TRP 1161CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1i9a n VAL 1163N 1.25 0.00 0.00 -1.67 0.31 -1.01 -4.53 118.33 112.68 1i9a n VAL 1163Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1i9a n VAL 1163Cb 0.38 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1i9a n VAL 1163CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i9a n GLN 1165N -0.24 0.00 0.00 5.55 6.02 -1.26 -1.04 117.38 126.41 1i9a n GLN 1165Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 1i9a n GLN 1165Cb 0.03 0.00 0.36 0.00 1.02 0.00 0.00 30.24 31.65 1i9a n GLN 1165CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i9a n ALA 1166N 0.00 1.78 0.06 -1.58 0.00 -1.26 -2.86 120.51 116.65 1i9a n ALA 1166Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 1i9a n ALA 1166Cb 0.00 -1.27 -0.15 0.00 0.00 0.00 0.00 19.45 18.03 1i9a n ALA 1166CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1i9a h THR 1167N 0.00 0.98 -1.92 0.00 2.02 -1.47 -3.41 112.91 109.11 1i9a h THR 1167Ca 0.00 -2.60 -0.64 0.00 0.77 0.00 0.00 66.41 63.94 1i9a h THR 1167Cb 0.27 2.72 0.05 0.00 -1.74 0.00 0.00 68.15 69.45 1i9a h THR 1167CO 0.00 0.83 0.69 -3.20 0.37 0.00 0.00 175.52 174.21 1i9a n ASN 1168N -3.51 2.43 -0.08 4.18 2.85 -1.13 -4.86 115.26 115.14 1i9a n ASN 1168Ca -0.22 1.09 -0.07 0.00 -0.11 0.00 0.00 54.58 55.27 1i9a n ASN 1168Cb 1.06 -1.29 -0.00 0.00 1.24 0.00 0.00 39.78 40.79 1i9a n ASN 1168CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1i9a h ARG 1169N 5.79 -0.11 -0.13 1.20 2.43 -1.89 -0.56 114.38 121.10 1i9a h ARG 1169Ca -0.47 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 1i9a h ARG 1169Cb 1.30 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1i9a h ARG 1169CO 0.85 -0.08 -0.20 0.93 -1.51 0.00 0.00 179.97 179.97 1i9a h GLU 1170N -0.12 0.37 -0.41 0.20 3.07 -1.96 -2.71 114.58 113.02 1i9a h GLU 1170Ca 0.16 -0.22 0.08 0.00 -0.50 0.00 0.00 59.36 58.88 1i9a h GLU 1170Cb 0.36 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.22 1i9a h GLU 1170CO -0.39 0.80 -0.09 0.00 -1.40 0.00 0.00 179.01 177.94 1i9a h ALA 1171N 0.56 0.29 -0.77 3.43 0.00 -1.75 0.28 119.26 121.30 1i9a h ALA 1171Ca 0.01 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1i9a h ALA 1171Cb 0.76 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1i9a h ALA 1171CO 0.05 -0.44 0.46 -0.09 0.00 0.00 0.00 179.25 179.22 1i9a h ARG 1172N 0.02 0.81 -0.26 0.00 2.43 -1.10 0.40 114.38 116.67 1i9a h ARG 1172Ca 0.20 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 1i9a h ARG 1172Cb 0.30 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1i9a h ARG 1172CO -0.41 0.54 -0.25 0.87 -1.51 0.00 0.00 179.97 179.21 1i9a h LYS 1173N 0.83 0.50 -0.16 0.20 1.57 -0.84 -0.56 116.57 118.11 1i9a h LYS 1173Ca 0.34 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1i9a h LYS 1173Cb 0.19 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1i9a h LYS 1173CO -0.18 0.71 -0.20 -0.09 -0.57 0.00 0.00 179.45 179.12 1i9a h ARG 1174N 0.44 0.42 -0.77 3.15 9.65 0.65 -2.53 114.38 125.40 1i9a h ARG 1174Ca 0.07 -0.24 -0.05 0.00 -1.10 0.00 0.00 59.98 58.66 1i9a h ARG 1174Cb 0.67 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 1i9a h ARG 1174CO 0.05 0.82 0.29 -0.07 2.80 0.00 0.00 179.97 183.85 1i9a h LEU 1175N 0.05 1.08 -1.46 3.80 3.38 -0.14 0.56 115.31 122.58 1i9a h LEU 1175Ca 0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1i9a h LEU 1175Cb 0.76 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1i9a h LEU 1175CO 0.05 0.97 -0.05 0.28 0.09 0.00 0.00 178.44 179.78 1i9a h SER 1176N 1.12 0.27 -0.01 -0.43 0.02 -1.03 -2.81 113.55 110.68 1i9a h SER 1176Ca 0.25 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1i9a h SER 1176Cb 0.24 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1i9a h SER 1176CO -0.02 0.36 -0.47 0.00 -1.14 0.00 0.00 176.83 175.57 1i9a n ALA 1177N -2.49 3.50 -0.37 3.77 0.00 -0.96 -4.67 120.51 119.28 1i9a n ALA 1177Ca -0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 1i9a n ALA 1177Cb 0.22 -0.66 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 1i9a n ALA 1177CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1i9a h PHE 1178N 1.72 -1.82 0.00 0.00 3.57 -0.61 0.22 116.94 120.02 1i9a h PHE 1178Ca 0.00 0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1i9a h PHE 1178Cb 0.60 0.91 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1i9a h PHE 1178CO 0.00 -0.37 0.00 0.25 -2.23 0.00 0.00 178.31 175.96 1i9a n THR 1179N -5.19 0.66 -3.55 4.41 -2.24 -1.26 -4.92 114.28 102.18 1i9a n THR 1179Ca 0.01 0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.68 1i9a n THR 1179Cb 0.26 -0.86 0.06 0.00 -2.10 0.00 0.00 70.33 67.69 1i9a n THR 1179CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i9a n GLN 1180N -1.88 -4.96 0.00 -0.78 6.02 0.78 -5.07 117.38 111.48 1i9a n GLN 1180Ca 0.04 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 1i9a n GLN 1180Cb 0.28 -5.44 0.00 0.00 1.02 0.00 0.00 30.24 26.10 1i9a n GLN 1180CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33