message: ignore non-canonical aa
diff: * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
  -import { ShrakeRupleyContext, VdWLookup } from './common';
  +import { MaxAsa, ShrakeRupleyContext, VdWLookup } from './common';
  import { getElementIdx, isHydrogen } from '../../../../mol-model/structure/structure/unit/bonds/common';
  import { isPolymer, isNucleic, MoleculeType, ElementSymbol } from '../../../../mol-model/structure/model/types';
  import { VdwRadius } from '../../../../mol-model/structure/model/properties/atomic';
  @@ -53,7 +53,7 @@ export function assignRadiusForHeavyAtoms(ctx: ShrakeRupleyContext) {
  const atomId = label_atom_id(l);
  const moleculeType = getElementMoleculeType(unit, eI);
  // skip water and optionally non-polymer groups
  - if (moleculeType === MoleculeType.Water || (!ctx.nonPolymer && !isPolymer(moleculeType)) || (ctx.alphaOnly && atomId !== 'CA')) {
  + if (moleculeType === MoleculeType.Water || (!ctx.nonPolymer && !isPolymer(moleculeType)) || (ctx.alphaOnly && (atomId !== 'CA' || !MaxAsa[label_comp_id(l)]))) {
  atomRadiusType[mj] = VdWLookup[0];
  serialResidueIndex[mj] = -1;
  continue;
  