--- a/tnt/data/idealdist_contact.dat	2025-07-17 01:22:06.000000000 +0100
+++ b/tnt/data/idealdist_contact.dat	2025-10-22 01:23:34.000000000 +0100
@@ -1,4 +1,4 @@
-NOTE BUSTER_RESTRAINT_DICT idealdist_contact.dat (V1.3.4.15) 20231124  IDEAL-DISTANCE CONTACT TERM DATA AS USED IN PROLSQ. VALUES USED HERE ARE BASEd ON DATA HARVESTING OF PDB AS OF 20190109
+NOTE BUSTER_RESTRAINT_DICT idealdist_contact.dat (V1.3.4.17) 20251024  IDEAL-DISTANCE CONTACT TERM DATA AS USED IN PROLSQ. VALUES USED HERE ARE BASEd ON DATA HARVESTING OF PDB AS OF 20190109
 #    ideal-distance contact similar to refmac 5.5's implementation
 #    atom type data from file: $CCP4/lib/data/monomers/ener_lib.cif 
 #    descriptions of each column
@@ -73,6 +73,8 @@
 # 
 NOTE BUSTER_CCP4_ATOMTYPE_DATA  NS      14.00670  N     1.550     1.600    1.32   N   3  1   . 1.66
 NOTE BUSTER_CCP4_ATOMTYPE_DATA  NSP     14.00670  N     1.550     1.600    1.32   N   3  1   . 1.66
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  NS1     14.00670  D     1.550     1.600    1.32   N   3  1   . 1.66
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  NSP1    14.00670  D     1.550     1.600    1.32   N   3  1   . 1.66
 NOTE BUSTER_CCP4_ATOMTYPE_DATA  N       14.00670  N     1.550     1.600    1.32   N   3  2   . 1.66
 NOTE BUSTER_CCP4_ATOMTYPE_DATA  NC1     14.00670  D     1.550     1.600    1.32   N   3  2   . 1.66
 NOTE BUSTER_CCP4_ATOMTYPE_DATA  NH1     14.00670  D     1.550     1.600    1.32   N   3  2   . 1.66
@@ -96,7 +98,17 @@
 NOTE BUSTER_CCP4_ATOMTYPE_DATA  NRD6    14.00670  A     1.550     1.600    1.32   N   3  2   . 1.66
 # for histidine where we do not know protonation state use NTIT - can act as both acceptor and donor
 NOTE BUSTER_CCP4_ATOMTYPE_DATA  NTIT    14.00670  B     1.550     1.600    1.32   N   3  1   . 1.66
-# 
+# accommodating newer AceDRG versions (see also https://ccp4forge.rc-harwell.ac.uk/ccp4/acedrg/-/blob/main/src/kernel/CCP4AtomType.cpp?ref_type=heads):
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  N3      14.00670  A     1.550     1.600    1.32   N   3  3   . 1.66
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  N20     14.00670  A     1.550     1.600    1.32   N   3  3   . 1.66
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  N21     14.00670  A     1.550     1.600    1.32   N   3  3   . 1.66
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  N30     14.00670  A     1.550     1.600    1.32   N   3  3   . 1.66
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  N31     14.00670  A     1.550     1.600    1.32   N   3  3   . 1.66
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  N32     14.00670  A     1.550     1.600    1.32   N   3  3   . 1.66
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  N33     14.00670  A     1.550     1.600    1.32   N   3  3   . 1.66
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  NH0     14.00670  A     1.550     1.600    1.32   N   3  2   . 1.66
+NOTE BUSTER_CCP4_ATOMTYPE_DATA  NT4     14.00670  A     1.550     1.600    1.32   N   3  3   . 1.66
+#
 NOTE BUSTER_CCP4_ATOMTYPE_DATA  OS      15.99940  A     1.520     1.520    1.28   O   2  2   . 1.50
 NOTE BUSTER_CCP4_ATOMTYPE_DATA  O       15.99940  A     1.520     1.520    1.28   O   2  2   . 1.50
 NOTE BUSTER_CCP4_ATOMTYPE_DATA  O2      15.99940  A     1.520     1.520    1.28   O   2  3   . 1.50