[ None ] [ GLY-NH3+ ] [ replace ] N opls_287 14.0027 -0.3 CA opls_292B 12.011 0.19 [ add ] 3 4 H N CA C opls_290 1.008 0.33 [ delete ] H [ GLY-ZWITTERION_NH3+ ] [ replace ] N opls_287 14.0027 -0.3 CA opls_298 12.011 0.09 [ add ] 3 4 H N CA C opls_290 1.008 0.33 [ delete ] H [ PRO-NH2+ ] [ replace ] N opls_309 14.0027 -0.2 CA opls_246 12.011 0.23 CD opls_296 12.011 0.17 [ add ] 2 4 H N CA C opls_310 1.008 0.31 [ PRO-ZWITTERION_NH2+ ] [ replace ] N opls_309 14.0027 -0.2 CA opls_246 12.011 0.13 CD opls_296 12.011 0.17 [ add ] 2 4 H N CA C opls_310 1.008 0.31 [ NH3+ ] [ replace ] N opls_287 14.0027 -0.3 CA opls_293B 12.011 0.25 [ add ] 3 4 H N CA C opls_290 1.008 0.33 [ delete ] H [ ZWITTERION_NH3+ ] [ replace ] N opls_287 14.0027 -0.3 CA opls_299 12.011 0.15 [ add ] 3 4 H N CA C opls_290 1.008 0.33 [ delete ] H [ GLY-NH2 ] [ replace ] N opls_900 14.0027 -0.9 CA opls_906B 12.011 0.06 [ add ] 2 4 H N CA C opls_909 1.008 0.36 [ delete ] H [ PRO-NH ] [ replace ] N opls_901 14.0027 -0.78 CA opls_246 12.011 0.14 CD opls_245 12.011 0.08 [ add ] 1 4 H N CA C opls_910 1.008 0.38 [ NH2 ] [ replace ] N opls_900 14.0027 -0.9 CA opls_912B 12.011 0.12 [ add ] 2 4 H N CA C opls_909 1.008 0.36 [ delete ] H