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. 2019 Feb 19;75(Pt 3):367–371. doi: 10.1107/S2056989019002275
U11 U22 U33 U12 U13 U23
S1 0.02517 (18) 0.01570 (14) 0.01810 (14) 0.01219 (13) 0.01195 (12) 0.00747 (11)
S2 0.01847 (16) 0.01588 (14) 0.01479 (13) 0.01093 (12) 0.00581 (11) 0.00621 (11)
S3 0.01119 (14) 0.01133 (12) 0.01105 (12) 0.00464 (11) 0.00318 (10) 0.00208 (9)
C2 0.0127 (6) 0.0121 (5) 0.0126 (5) 0.0052 (5) 0.0028 (4) 0.0032 (4)
C3A 0.0134 (6) 0.0159 (5) 0.0133 (5) 0.0071 (5) 0.0031 (4) 0.0019 (4)
C4 0.0214 (7) 0.0201 (6) 0.0193 (6) 0.0118 (5) 0.0074 (5) 0.0033 (5)
C5 0.0201 (7) 0.0250 (7) 0.0181 (6) 0.0121 (6) 0.0065 (5) 0.0004 (5)
C6 0.0167 (7) 0.0280 (7) 0.0141 (6) 0.0096 (6) 0.0050 (5) 0.0032 (5)
C7 0.0198 (7) 0.0219 (6) 0.0156 (6) 0.0095 (5) 0.0065 (5) 0.0057 (5)
C7A 0.0155 (6) 0.0171 (6) 0.0133 (5) 0.0083 (5) 0.0046 (4) 0.0026 (4)
C8 0.0133 (6) 0.0112 (5) 0.0120 (5) 0.0055 (5) 0.0041 (4) 0.0030 (4)
C9 0.0115 (6) 0.0110 (5) 0.0126 (5) 0.0047 (4) 0.0023 (4) 0.0029 (4)
C10 0.0101 (6) 0.0125 (5) 0.0123 (5) 0.0040 (5) 0.0023 (4) 0.0024 (4)
C11 0.0114 (6) 0.0118 (5) 0.0129 (5) 0.0047 (5) 0.0019 (4) 0.0024 (4)
C12 0.0183 (7) 0.0189 (6) 0.0180 (6) 0.0120 (5) 0.0038 (5) 0.0028 (5)
C13 0.0117 (6) 0.0146 (5) 0.0124 (5) 0.0048 (5) 0.0040 (4) 0.0013 (4)
C14 0.0213 (7) 0.0154 (6) 0.0223 (6) 0.0057 (5) 0.0015 (5) 0.0037 (5)
C15 0.0230 (8) 0.0161 (6) 0.0260 (7) 0.0008 (6) 0.0017 (6) 0.0003 (5)
C16 0.0143 (7) 0.0268 (7) 0.0191 (6) 0.0036 (6) 0.0009 (5) −0.0039 (5)
C17 0.0184 (7) 0.0274 (7) 0.0200 (6) 0.0130 (6) −0.0002 (5) −0.0008 (5)
C18 0.0165 (7) 0.0176 (6) 0.0184 (6) 0.0095 (5) 0.0030 (5) 0.0005 (5)
N1 0.0135 (5) 0.0141 (5) 0.0130 (5) 0.0072 (4) 0.0040 (4) 0.0038 (4)
N2 0.0143 (5) 0.0143 (5) 0.0137 (5) 0.0076 (4) 0.0047 (4) 0.0039 (4)
N3 0.0169 (6) 0.0157 (5) 0.0143 (5) 0.0088 (4) 0.0061 (4) 0.0036 (4)
N4 0.0261 (7) 0.0183 (5) 0.0174 (5) 0.0154 (5) 0.0109 (5) 0.0087 (4)
N5 0.0133 (5) 0.0166 (5) 0.0131 (5) 0.0082 (4) 0.0046 (4) 0.0041 (4)
O1 0.0151 (5) 0.0109 (4) 0.0176 (4) 0.0043 (3) 0.0039 (3) 0.0015 (3)
O2 0.0170 (5) 0.0183 (4) 0.0124 (4) 0.0081 (4) 0.0059 (3) 0.0033 (3)
S1' 0.01307 (16) 0.02409 (16) 0.01137 (13) 0.00726 (13) 0.00081 (11) −0.00157 (11)
S2' 0.02224 (17) 0.02347 (15) 0.01330 (14) 0.01611 (14) 0.00615 (12) 0.00867 (11)
S3' 0.01608 (15) 0.01188 (13) 0.01004 (12) 0.00854 (11) 0.00399 (10) 0.00284 (9)
C2' 0.0135 (6) 0.0116 (5) 0.0099 (5) 0.0053 (5) 0.0016 (4) 0.0022 (4)
C3A' 0.0174 (6) 0.0149 (5) 0.0126 (5) 0.0084 (5) 0.0047 (5) 0.0037 (4)
C4' 0.0193 (7) 0.0250 (6) 0.0171 (6) 0.0127 (6) 0.0060 (5) 0.0054 (5)
C5' 0.0249 (8) 0.0252 (7) 0.0207 (6) 0.0156 (6) 0.0122 (5) 0.0075 (5)
C6' 0.0290 (8) 0.0218 (6) 0.0150 (6) 0.0131 (6) 0.0093 (5) 0.0030 (5)
C7' 0.0224 (7) 0.0214 (6) 0.0128 (6) 0.0088 (6) 0.0031 (5) −0.0011 (5)
C7A' 0.0165 (6) 0.0141 (5) 0.0139 (5) 0.0065 (5) 0.0045 (5) 0.0009 (4)
C8' 0.0105 (6) 0.0116 (5) 0.0108 (5) 0.0042 (4) 0.0020 (4) 0.0021 (4)
C9' 0.0119 (6) 0.0099 (5) 0.0121 (5) 0.0042 (4) 0.0016 (4) 0.0030 (4)
C10' 0.0113 (6) 0.0096 (5) 0.0118 (5) 0.0043 (4) 0.0014 (4) 0.0013 (4)
C11' 0.0102 (6) 0.0112 (5) 0.0118 (5) 0.0041 (4) 0.0011 (4) 0.0008 (4)
C12' 0.0236 (7) 0.0284 (7) 0.0179 (6) 0.0194 (6) 0.0041 (5) 0.0058 (5)
C13' 0.0161 (6) 0.0213 (6) 0.0110 (5) 0.0123 (5) 0.0053 (4) 0.0039 (4)
C14' 0.0164 (7) 0.0211 (6) 0.0141 (5) 0.0102 (5) 0.0058 (5) 0.0030 (5)
C15' 0.0165 (7) 0.0272 (7) 0.0152 (6) 0.0075 (6) 0.0064 (5) 0.0014 (5)
C16' 0.0161 (7) 0.0421 (8) 0.0150 (6) 0.0159 (6) 0.0048 (5) 0.0061 (5)
C17' 0.0267 (8) 0.0400 (8) 0.0186 (6) 0.0256 (7) 0.0069 (5) 0.0092 (6)
C18' 0.0254 (8) 0.0259 (7) 0.0161 (6) 0.0185 (6) 0.0055 (5) 0.0043 (5)
N1' 0.0136 (5) 0.0137 (5) 0.0117 (4) 0.0074 (4) 0.0031 (4) 0.0035 (4)
N2' 0.0122 (5) 0.0135 (5) 0.0112 (4) 0.0069 (4) 0.0019 (4) 0.0022 (4)
N3' 0.0145 (5) 0.0179 (5) 0.0118 (5) 0.0080 (4) 0.0039 (4) 0.0034 (4)
N4' 0.0169 (6) 0.0217 (5) 0.0126 (5) 0.0131 (5) 0.0042 (4) 0.0048 (4)
N5' 0.0154 (5) 0.0140 (5) 0.0114 (4) 0.0097 (4) 0.0035 (4) 0.0035 (4)
O1' 0.0255 (5) 0.0119 (4) 0.0171 (4) 0.0094 (4) 0.0065 (4) 0.0032 (3)
O2' 0.0212 (5) 0.0196 (4) 0.0117 (4) 0.0118 (4) 0.0067 (3) 0.0040 (3)
O1W 0.0339 (7) 0.0209 (5) 0.0306 (6) 0.0110 (5) 0.0177 (5) 0.0049 (4)
K1 0.02118 (15) 0.01917 (13) 0.01416 (12) 0.01203 (11) 0.00636 (10) 0.00500 (9)
K2 0.01341 (13) 0.01430 (12) 0.01346 (11) 0.00694 (10) 0.00394 (9) 0.00372 (9)
C91 0.0155 (6) 0.0176 (6) 0.0155 (5) 0.0076 (5) 0.0047 (5) 0.0019 (4)
C92 0.0273 (8) 0.0219 (6) 0.0239 (7) 0.0167 (6) 0.0081 (6) 0.0079 (5)
C93 0.0295 (8) 0.0312 (7) 0.0257 (7) 0.0208 (7) 0.0165 (6) 0.0128 (6)
N91 0.0193 (6) 0.0188 (5) 0.0182 (5) 0.0118 (5) 0.0077 (4) 0.0064 (4)
O91 0.0206 (5) 0.0208 (5) 0.0190 (4) 0.0130 (4) 0.0062 (4) 0.0039 (4)
C94 0.0196 (7) 0.0230 (7) 0.0179 (6) 0.0054 (6) 0.0012 (5) 0.0036 (5)
C95 0.0359 (10) 0.0305 (9) 0.0324 (9) −0.0041 (8) 0.0014 (7) 0.0163 (7)
C96 0.097 (2) 0.0295 (9) 0.0224 (9) −0.0215 (11) 0.0030 (10) −0.0015 (7)
N92 0.0224 (6) 0.0163 (5) 0.0193 (5) 0.0029 (5) 0.0023 (5) 0.0050 (4)
O92 0.0209 (5) 0.0163 (4) 0.0219 (5) 0.0036 (4) 0.0037 (4) 0.0033 (4)