ILE
sasa= 171.252
numAtoms= 8
numHAtoms= 11
numBonds= 7
numBonds_H= 11
numAngles= 8
numDihedrals= 2
numImpropers= 0
Atom   N     -1.8370   -0.0660   -1.2430    19.130	-0.451047      *N        	
Atom   C     -1.5900   -0.9770    1.0630    20.520	0.569383       *C 
Atom   CA    -0.8970   -0.6340   -0.2710    20.020	-0.101874      *CT
Atom   O     -2.4600   -0.2300    1.5540    20.260	-0.619535      *O 
Atom   CB     0.4170    0.2210   -0.1420    20.020	0.062238       *CT
Atom   CG2    1.1450   -0.0340    1.1890    20.010	-0.129989      *CT
Atom   CG1    1.3450   -0.0550   -1.3420    19.840	0.022230       *CT
Atom   CD1    2.4600    0.9770   -1.5540    20.240	-0.101251      *CT
HAtom  HN 						0.328831	*H
HAtom  HA 						0.174193	*H1	
HAtom  HB 						0.061662	*HC
HAtom 1HG1						0.011551	*HC
HAtom 2HG1						0.011551	*HC
HAtom 1HG2						0.030227	*HC
HAtom 2HG2						0.030227	*HC	
HAtom 3HG2						0.030227	*HC
HAtom 1HD1						0.023792	*HC
HAtom 2HD1						0.023792	*HC
HAtom 3HD1						0.023792	*HC
BOND  C   +N			1.3293    !0.0163	490.0    1.335	//checked
Bond  N    CA   		1.4593    !0.0196	337.0    1.475
Bond  CA   C   			1.5234    !0.0201	317.0    1.522
Bond  C    O    		1.2331    !0.0196	570.0    1.229
Bond  CA   CB    		1.5424    !0.0251	310.0    1.526
Bond  CB   CG1  		1.5318    !0.0174	310.0    1.526
Bond  CB   CG2  		1.5248    !0.0234	310.0    1.526
Bond  CG1  CD1  		1.5166    !0.0298	310.0    1.526
Bond_H  N    HN  					434.0    1.010
Bond_H  CA   HA   					340.0    1.090
Bond_H  CB   HB   					340.0    1.090
Bond_H  CG1 1HG1  					340.0    1.090
Bond_H  CG1 2HG1  					340.0    1.090
Bond_H  CG2 1HG2  					340.0    1.090
Bond_H  CG2 2HG2  					340.0    1.090
Bond_H  CG2 3HG2  					340.0    1.090
Bond_H  CD1 1HD1  					340.0    1.090
Bond_H  CD1 2HD1  					340.0    1.090
Bond_H  CD1 3HD1  					340.0    1.090
Angle  O    C   +N              122.6912  !2.1967	80.0      122.90		//checked
Angle  CA   C   +N              116.6869  !2.6403	70.0      116.60		//checked
Angle -C    N    CA             121.3500  !3.3498 	50.0      121.90		//checked
Angle  N    CA   C    		109.7775  !4.4210	63.0      110.10
Angle  CA   C    O   		120.5770  !1.9970	80.0      120.40
Angle  N    CA   CB  		110.9438  !2.8140	80.0      109.70
Angle  C    CA   CB 		109.9632  !3.3496	63.0      111.10
Angle  CA   CB   CG1		110.7620  !3.1331	40.0      109.50
Angle  CA   CB   CG2  		110.5725  !2.2944	40.0      109.50
Angle  CG1  CB   CG2		110.5725  !2.2944	40.0      109.50	/////////////////
Angle  CB   CG1  CD1  		114.0535  !2.6735	40.0      109.50
Dihedral -CA  -C    N    CA     180.0     !2.0000	////added 
Dihedral  N    CA   CB   CG1
Dihedral  CA   CB   CG1  CD1