Glisin (gly)

Atom Bond Bond Angle Angle (o) 2nd Angle 2nd 2nd Angle
Atom Length (A) Atom Atom Angle (o) Type
1 C(5)
2 C(1) C(5) 1.5090
3 N(4) C(1) 1.4380 C(5) 109.520
0
4 O(6) C(5) 1.3380 C(1) 120.000 N(4) -60.0119 Dihedral
0
5 O(7) C(5) 1.2080 C(1) 120.000 O(6) 120.0000 Pro-R
0
6 H(2) C(1) 1.1130 N(4) 109.441 C(5) 109.4618 Pro-S
8
7 H(3) C(1) 1.1130 N(4) 109.441 C(5) 109.4618 Pro-R
8
8 H(8) N(4) 1.0200 C(1) 109.470 C(5) 59.9996 Dihedral
0
9 H(9) N(4) 1.0200 C(1) 109.470 H(8) 104.5000 Pro-S
0
1 H(10 O(6) 0.9720 C(5) 106.100 C(1) -180.0000 Dihedral
0 ) 0
 Alanin (ala)

Atom Bond Bond Angle Angle (o) 2nd Angle 2nd 2nd Angle
Atom Length (A) Atom Atom Angle (o) Type
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(5) C(1) 1.4380 C(2) 109.4618 C(3) 109.4618 Pro-R
5 O(6) C(3) 1.3380 C(1) 120.0000 C(2) 180.0000 Dihedral
6 O(7) C(3) 1.2080 C(1) 120.0000 O(6) 120.0000 Pro-R
7 H(4) C(1) 1.1130 C(2) 109.4418 C(3) 109.4418 Pro-S
8 H(8) C(2) 1.1130 C(1) 109.5000 C(3) 180.0000 Dihedral
9 H(9) C(2) 1.1130 C(1) 109.4418 H(8) 109.4418 Pro-R
10 H(10 C(2) 1.1130 C(1) 109.4618 H(8) 109.4618 Pro-S
)
11 H(11 N(5) 1.0200 C(1) 109.4700 C(2) -180.0000 Dihedral
)
12 H(12 N(5) 1.0200 C(1) 109.4700 H(11) 104.5000 Pro-S
)
13 H(13 O(6) 0.9720 C(3) 106.1000 C(1) 180.0000 Dihedral
)
 Prolin (pro)

Atom Bond Bond Angl Angle (o) 2nd Angle 2nd Angle 2nd Angle Type
Atom Length (A) e Atom (o)
Atom
1 N(1)
2 C(3) N(1) 1.4602
3 C(4) N(1) 1.4602 C(3) 104.9666
4 C(5) C(3) 1.5189 N(1) 103.7757 C(4) -40.5423 Dihedral
5 C(6) C(4) 1.5190 N(1) 103.8332 C(3) 40.3569 Dihedral
6 C(7) C(3) 1.5090 N(1) 110.8518 C(5) 110.8518 Pro-S
7 O(9) C(7) 1.3380 C(3) 120.0000 N(1) -57.3464 Dihedral
8 O(8) C(7) 1.2080 C(3) 120.0000 O(9) 120.0000 Pro-S
9 H(2) N(1) 1.0200 C(3) 110.7746 C(4) 109.4700 Pro-S
10 H(10 C(3) 1.1130 N(1) 112.7708 C(5) 112.7708 Pro-R
)
11 H(11 C(4) 1.1130 N(1) 110.8378 C(6) 110.8378 Pro-S
)
12 H(12 C(4) 1.1130 N(1) 112.7378 C(6) 112.7378 Pro-R
)
 13 H(13 C(5) 1.1130 C(3) 110.5275 C(6) 110.5275 Pro-R
)
14 H(14 C(5) 1.1130 C(3) 112.0071 C(6) 112.0071 Pro-S
)
15 H(15 C(6) 1.1130 C(4) 110.5229 C(5) 110.5229 Pro-R
)
16 H(16 C(6) 1.1130 C(4) 111.9963 C(5) 111.9963 Pro-S
)
17 H(17 O(9) 0.9720 C(7) 106.1000 C(3) -0.0000 Dihedral
)

Valin (val)

Atom Bond Bond Length Angle Atom Angle (o) 2nd Angle 2nd 2nd Angle
Atom (A) Atom Angle (o) Type
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(4) C(1) 1.4380 C(2) 109.4418 C(3) 109.4418 Pro-S
5 C(6) C(2) 1.5230 C(1) 109.5000 C(3) 0.0000 Dihedral
6 C(7) C(2) 1.5230 C(1) 109.4418 C(6) 109.4418 Pro-S
7 O(8) C(3) 1.3380 C(1) 120.0000 C(2) 180.0000 Dihedral
 8 O(9) C(3) 1.2080 C(1) 120.0000 O(8) 120.0000 Pro-R
9 H(5) C(1) 1.1130 C(2) 109.4618 C(3) 109.4618 Pro-R
10 H(10 C(2) 1.1130 C(1) 109.4618 C(6) 109.4618 Pro-R
)
11 H(11 N(4) 1.0200 C(1) 109.4700 C(2) 180.0000 Dihedral
)
12 H(12 N(4) 1.0200 C(1) 109.4700 H(11) 104.5000 Pro-S
)
13 H(13 C(6) 1.1130 C(2) 109.5000 C(1) 180.0000 Dihedral
)
14 H(14 C(6) 1.1130 C(2) 109.4418 H(13) 109.4418 Pro-S
)
15 H(15 C(6) 1.1130 C(2) 109.4618 H(13) 109.4618 Pro-R
)
16 H(16 C(7) 1.1130 C(2) 109.5000 C(1) -180.0000 Dihedral
)
17 H(17 C(7) 1.1130 C(2) 109.4418 H(16) 109.4418 Pro-R
)
18 H(18 C(7) 1.1130 C(2) 109.4618 H(16) 109.4618 Pro-S
)
19 H(19 O(8) 0.9720 C(3) 106.1000 C(1) 180.0000 Dihedral
)

Metionin (met)
 Atom Bond Bond Angle Angle (o) 2nd Angle 2nd Angle (o) 2nd Angle
Atom Length (A) Atom Atom Type
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(5) C(1) 1.4380 C(2) 109.4618 C(3) 109.4618 Pro-S
5 C(6) C(2) 1.5230 C(1) 109.5000 C(3) 0.0000 Dihedral
6 O(7) C(3) 1.3380 C(1) 120.0000 C(2) -180.0000 Dihedral
7 O(8) C(3) 1.2080 C(1) 120.0000 O(7) 120.0000 Pro-S
8 S(9) C(6) 1.8150 C(2) 109.5000 C(1) 60.0000 Dihedral
9 C(10) S(9) 1.8150 C(6) 96.3000 C(2) -180.0000 Dihedral
1 H(4) C(1) 1.1130 C(2) 109.4418 C(3) 109.4418 Pro-R
0
1 H(11 C(2) 1.1130 C(1) 109.4418 C(6) 109.4418 Pro-R
1 )
1 H(12 C(2) 1.1130 C(1) 109.4618 C(6) 109.4618 Pro-S
2 )
1 H(15 C(6) 1.1130 C(2) 109.4418 S(9) 109.4418 Pro-S
3 )
1 H(16 C(6) 1.1130 C(2) 109.4618 S(9) 109.4618 Pro-R
4 )
1 H(13 N(5) 1.0200 C(1) 109.4700 C(2) 180.0000 Dihedral
5 )
1 H(14 N(5) 1.0200 C(1) 109.4700 H(13) 104.5000 Pro-S
6 )
1 H(17 O(7) 0.9720 C(3) 106.1000 C(1) -180.0000 Dihedral
7 )
1 H(18 C(10) 1.1130 S(9) 109.5000 C(6) -180.0000 Dihedral
8 )
1 H(19 C(10) 1.1130 S(9) 109.4418 H(18) 109.4418 Pro-S
9 )
2 H(20 C(10) 1.1130 S(9) 109.4618 H(18) 109.4618 Pro-R
0 )

Triptofan (trp)

Atom Bond Bond Angle Angle (o) 2nd 2nd Angle 2nd
Atom Length Atom Angle (o) Angle
(A) Atom Type
1 C(12)
2 C(13) C(12) 1.5230
3 C(7) C(12) 2.5511 C(13) 89.9154
4 C(11) C(12) 1.5230 C(7) 150.0841 C(13) 120.0000 Pro-R
5 N(10) C(13) 1.4992 C(12) 118.6035 C(7) 20.6065 Dihedral
6 C(14) C(13) 1.5230 N(10) 118.2387 C(12) 120.0000 Pro-R
78 C(9) C(7) 1.5230 C(12) 90.0511 C(11) 169.9981 Dihedral
9 C(15) C(14) 1.5230 C(13) 120.0000 N(10) 159.6462 Dihedral
10 C(16) C(11) 1.5230 C(12) 120.0000 C(7) 179.6405 Dihedral
11 C(2) C(7) 1.5230 C(9) 90.0000 C(12) 177.6126 Pro-R
12 C(1) C(2) 1.5230 C(7) 180.0000 C(9) -90.0000 Dihedral
13 C(4) C(1) 1.5230 C(7) 90.0000 C(12) -91.2267 Dihedral
14 N(3) C(1) 1.5230 C(2) 90.0000 C(4) 180.0000 Pro-R
15 O(6) C(4) 1.5230 C(1) 135.0000 C(2) -180.0000 Dihedral
16 O(8) C(4) 1.5230 C(1) 135.0000 O(6) 90.0000 Pro-R
17 H(22) C(9) 1.1000 C(7) 120.0000 N(10) 120.0000 Pro-S
18 H(23) N(10) 1.0500 C(9) 121.9335 C(13) 121.9335 Pro-S
19 H(24) C(11) 1.1000 C(12) 120.0000 C(16) 120.0000 Pro-R
20 H(25) C(14) 1.1000 C(13) 120.0000 C(15) 120.0000 Pro-S
21 H(26) C(15) 1.1000 C(14) 120.0000 C(16) 120.0000 Pro-R
22 H(27) C(16) 1.1000 C(11) 120.0000 C(15) 120.0000 Pro-S
23 H(5) C(1) 1.5230 C(2) 180.0000 N(3) 90.0000 Pro-R
24 H(17) C(2) 1.1130 C(1) 90.0000 N(3) 35.2199 Dihedral
25 H(18) C(2) 1.1130 C(1) 90.0000 H(17) 180.0000 Pro-S
26 H(19) N(3) 1.0200 C(1) 109.4700 C(2) 180.0000 Dihedral
27 H(20) N(3) 1.0200 C(1) 109.4700 H(19) 104.5000 Pro-S
28 H(21) O(6) 0.9720 C(4) 106.1000 C(1) -180.0000 Dihedral
Leusin (leu)

Atom Bond Bond Angle Angle (o) 2nd 2nd Angle 2nd Angle
Atom Length (A) Atom Angle (o) Type
Atom
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(4) C(1) 1.4380 C(2) 109.4418 C(3) 109.4418 Pro-S
5 H(5) C(1) 1.1130 C(2) 109.4618 C(3) 109.4618 Pro-R
6 C(6) C(2) 1.5230 C(1) 109.5000 C(3) 180.0000 Dihedral
7 H(11) C(2) 1.1130 C(1) 109.4418 C(6) 109.4418 Pro-R
8 H(12) C(2) 1.1130 C(1) 109.4618 C(6) 109.4618 Pro-S
9 O(7) C(3) 1.3380 C(1) 120.0000 C(2) -180.0000 Dihedral
1 O(10) C(3) 1.2080 C(1) 120.0000 O(7) 120.0000 Pro-R
0
1 C(8) C(6) 1.5230 C(2) 109.5000 C(1) 60.0000 Dihedral
1
1 C(9) C(6) 1.5230 C(2) 109.4418 C(8) 109.4418 Pro-S
2
1 H(15) C(6) 1.1130 C(2) 109.4618 C(8) 109.4618 Pro-R
3
1 H(13) N(4) 1.0200 C(1) 109.4700 C(2) -180.0000 Dihedral
4
1 H(14) N(4) 1.0200 C(1) 109.4700 H(13) 104.5000 Pro-S
5
1 H(16) O(7) 0.9720 C(3) 106.1000 C(1) -180.0000 Dihedral
6
1 H(17) C(8) 1.1130 C(6) 109.5000 C(2) 180.0000 Dihedral
7
1 H(18) C(8) 1.1130 C(6) 109.4418 H(17) 109.4418 Pro-S
8
1 H(19) C(8) 1.1130 C(6) 109.4618 H(17) 109.4618 Pro-R
9
2 H(20) C(9) 1.1130 C(6) 109.5000 C(2) 180.0000 Dihedral
0
2 H(21) C(9) 1.1130 C(6) 109.4418 H(20) 109.4418 Pro-R
1
2 H(22) C(9) 1.1130 C(6) 109.4618 H(20) 109.4618 Pro-S
2

Fenilanin (phe)

Atom Bond Bond Angl Angle (o) 2nd Angle 2nd Angle (o) 2nd Angle
Atom Length (A) e Atom Type
Atom
1 C(7)
2 C(8) C(7) 1.5230
3 C(9) C(8) 1.5230 C(7) 120.000
0
4 C(10) C(9) 1.5230 C(8) 120.000 C(7) -0.0001 Dihedral
0
5 C(11) C(10) 1.5230 C(9) 120.000 C(8) 0.0001 Dihedral
0
6 C(12) C(7) 1.5230 C(8) 120.000 C(9) 0.0001 Dihedral
0
7 C(13) C(8) 1.5300 C(7) 119.912 C(9) 118.1945 Pro-S
 1
8 C(1) C(13) 1.5230 C(8) 173.048 C(7) 90.7647 Dihedral
7
9 C(2) C(1) 1.5230 C(13) 90.0000 C(8) 100.6187 Dihedral
10 N(3) C(1) 1.5230 C(2) 180.000 C(13) 90.0000 Pro-R
0
11 O(5) C(2) 1.5230 C(1) 120.000 C(13) 180.0000 Dihedral
0
12 O(6) C(2) 1.5230 C(1) 120.000 O(5) 120.0000 Pro-R
0
13 H(17 C(7) 1.1000 C(8) 120.000 C(12) 120.0000 Pro-S
) 0
14 H(18 C(9) 1.1000 C(8) 120.000 C(10) 120.0000 Pro-R
) 0
15 H(19 C(10) 1.1000 C(9) 120.000 C(11) 120.0000 Pro-S
) 0
16 H(20 C(11) 1.1000 C(10) 120.000 C(12) 120.0000 Pro-R
) 0
17 H(21 C(12) 1.1000 C(7) 120.000 C(11) 120.0000 Pro-S
) 0
18 H(4) C(1) 1.5230 C(2) 90.0000 C(13) 180.0000 Pro-R
19 H(22 C(13) 1.1130 C(1) 92.0036 C(8) 92.0036 Pro-S
)
20 H(23 C(13) 1.1130 C(1) 88.3083 C(8) 88.3083 Pro-R
)
21 H(14 N(3) 1.0200 C(1) 109.470 C(13) -0.0000 Dihedral
) 0
22 H(15 N(3) 1.0200 C(1) 109.470 H(14) 104.5000 Pro-S
) 0
23 H(16 O(5) 0.9720 C(2) 106.100 C(1) -180.0000 Dihedral
) 0

Asparagin (asn)
 Atom Bond Bond Angle Angle (o) 2nd Angle 2nd Angle 2nd Angle
Atom Length (A) Atom Atom (o) Type
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.500
0
4 N(5) C(1) 1.4380 C(2) 109.461 C(3) 109.4618 Pro-S
8
5 C(7) C(2) 1.5090 C(1) 109.500 C(3) 0.0000 Dihedral
0
6 O(6) C(3) 1.3380 C(1) 120.000 C(2) -180.0000 Dihedral
0
7 O(8) C(3) 1.2080 C(1) 120.000 O(6) 120.0000 Pro-S
0
8 N(9) C(7) 1.3690 C(2) 120.000 C(1) -180.0000 Dihedral
0
9 O(10) C(7) 1.2080 C(2) 120.000 N(9) 120.0000 Pro-R
0
1 H(4) C(1) 1.1130 C(2) 109.441 C(3) 109.4418 Pro-R
0 8
1 H(11) C(2) 1.1130 C(1) 109.441 C(7) 109.4418 Pro-R
1 8
1 H(12) C(2) 1.1130 C(1) 109.461 C(7) 109.4618 Pro-S
2 8
1 H(13) N(5) 1.0200 C(1) 109.470 C(2) -180.0000 Dihedral
3 0
1 H(14) N(5) 1.0200 C(1) 109.470 H(13) 104.5000 Pro-S
4 0
1 H(15) O(6) 0.9720 C(3) 106.100 C(1) -180.0000 Dihedral
5 0
1 H(16) N(9) 1.0120 C(7) 120.000 C(2) 180.0000 Dihedral
6 0
1 H(17) N(9) 1.0120 C(7) 120.000 H(16) 120.0000 Pro-R
7 0

Treonin (thr)
 Atom Bond Bond Length Angl Angle (o) 2nd Angle 2nd Angle 2nd
Atom (A) e Atom (o) Angle
Atom Type
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(5) C(1) 1.4380 C(2) 109.4618 C(3) 109.4618 Pro-R
5 O(6) C(2) 1.4020 C(1) 109.5000 C(3) 0.0000 Dihedral
6 C(7) C(2) 1.5230 C(1) 109.4418 O(6) 109.4418 Pro-S
7 O(8) C(3) 1.3380 C(1) 120.0000 C(2) 180.0000 Dihedral
8 O(9) C(3) 1.2080 C(1) 120.0000 O(8) 120.0000 Pro-R
9 H(4) C(1) 1.1130 C(2) 109.4418 C(3) 109.4418 Pro-S
10 H(10) C(2) 1.1130 C(1) 109.4618 O(6) 109.4618 Pro-R
11 H(11) N(5) 1.0200 C(1) 109.4700 C(2) -180.0000 Dihedral
12 H(12) N(5) 1.0200 C(1) 109.4700 H(11) 104.5000 Pro-S
13 H(13) O(6) 0.9420 C(2) 106.9000 C(1) 180.0000 Dihedral
14 H(14) C(7) 1.1130 C(2) 109.5000 C(1) 180.0000 Dihedral
15 H(15) C(7) 1.1130 C(2) 109.4418 H(14) 109.4418 Pro-R
16 H(16) C(7) 1.1130 C(2) 109.4618 H(14) 109.4618 Pro-S
17 H(17) O(8) 0.9720 C(3) 106.1000 C(1) -180.0000 Dihedral

Serin (ser)
 Atom Bond Bond Angle Angle (o) 2nd Angle 2nd 2nd Angle
Atom Length (A) Atom Atom o
Angle ( ) Type
1 C(4)
2 C(1) C(4) 1.5090
3 C(2) C(1) 1.5230 C(4) 109.441
8
4 N(3) C(1) 1.4380 C(2) 109.500 C(4) 109.441 Pro-R
0 8
5 O(6) C(2) 1.4020 C(1) 109.500 N(3) - Dihedral
0 180.000
0
6 O(8) C(4) 1.3380 C(1) 120.000 C(2) -0.0000 Dihedral
0
7 O(7) C(4) 1.2080 C(1) 120.000 O(8) 120.000 Pro-R
0 0
8 H(5) C(1) 1.1130 C(2) 109.461 N(3) 109.461 Pro-R
8 8
9 H(9) C(2) 1.1130 C(1) 109.441 O(6) 109.441 Pro-R
8 8
10 H(10) C(2) 1.1130 C(1) 109.461 O(6) 109.461 Pro-S
8 8
11 H(11) N(3) 1.0200 C(1) 109.470 C(2) - Dihedral
0 180.000
0
12 H(12) N(3) 1.0200 C(1) 109.470 H(11) 104.500 Pro-S
0 0
13 H(13) O(6) 0.9420 C(2) 106.900 C(1) 180.000 Dihedral
0 0
14 H(14) O(8) 0.9720 C(4) 106.100 C(1) 180.000 Dihedral
0 0

Glutamin (gln)

Atom Bond Bond Angle Angle (o) 2nd 2nd 2nd

Atom Length Atom Angle Angle (o) Angle
(A) Atom Type
1 C(4)
2 C(1) C(4) 1.5090
3 C(2) C(1) 1.5230 C(4) 109.441
8
4 N(3) C(1) 1.4380 C(2) 109.500 C(4) 109.441 Pro-S
0 8
5 C(6) C(2) 1.5230 C(1) 109.500 N(3) 180.000 Dihedral
0 0
6 C(7) C(6) 1.4970 C(2) 109.500 C(1) 60.0000 Dihedral
0
7 C(9) C(7) 1.3370 C(6) 120.000 C(2) -0.0000 Dihedral
0
8 C(8) C(7) 1.4970 C(6) 120.000 C(9) 120.000 Pro-R
0 0
9 O(11) C(4) 1.3380 C(1) 120.000 C(2) -0.0000 Dihedral
0
10 O(10) C(4) 1.2080 C(1) 120.000 O(11) 120.000 Pro-R
0 0
11 H(21) C(9) 1.1000 C(7) 120.000 C(6) 180.000 Dihedral
0 0
12 H(22) C(9) 1.1000 C(7) 120.000 H(21) 120.000 Pro-S
0 0
13 H(5) C(1) 1.1130 C(2) 109.461 N(3) 109.461 Pro-S
8 8
14 H(12) C(2) 1.1130 C(1) 109.441 C(6) 109.441 Pro-S
8 8
15 H(13) C(2) 1.1130 C(1) 109.461 C(6) 109.461 Pro-R
8 8
16 H(16) C(6) 1.1130 C(2) 109.441 C(7) 109.441 Pro-S
8 8
17 H(17) C(6) 1.1130 C(2) 109.461 C(7) 109.461 Pro-R
8 8
18 H(14) N(3) 1.0200 C(1) 109.470 C(2) 180.000 Dihedral
0 0
19 H(15) N(3) 1.0200 C(1) 109.470 H(14) 104.500 Pro-S
0 0
20 H(18) C(8) 1.1130 C(7) 109.500 C(6) 0.0000 Dihedral
0
21 H(19) C(8) 1.1130 C(7) 109.441 H(18) 109.441 Pro-S
8 8
22 H(20) C(8) 1.1130 C(7) 109.461 H(18) 109.461 Pro-R
8 8
23 H(23) O(11) 0.9720 C(4) 106.100 C(1) 180.000 Dihedral
0 0