Appendix D: All C(26,2) = 325 Candidate Swaps

ΔEuni = fa·[MTb − MTa] + fb·[MTa − MTb] | S = same-weight, C = cross-weight

# Swap ΔEuni = fa·(MTb−MTa) + ΔEbi ΔEtot

fb·(MTa−MTb)
1 J↔T 0.0016(161.2−0) + 0.0928(0−161.2) -11.01 -25.71
= +0.26-14.96 = -14.70
2 K↔T C 0.0054(161.2−0) + 0.0928(0−161.2) -11.16 -25.24
= +0.87-14.96 = -14.09
3 E↔K 0.1249(0−103.6) + 0.0054(103.6−0) -9.99 -22.38
= -12.94+0.56 = -12.38
4 E↔J C 0.1249(0−103.6) + 0.0016(103.6−0) -9.35 -22.13
= -12.94+0.17 = -12.77
5 F↔T 0.0240(161.2−0) + 0.0928(0−161.2) -9.43 -20.52
= +3.87-14.96 = -11.09
6 E↔F C 0.1249(0−103.6) + 0.0240(103.6−0) -7.34 -17.79
= -12.94+2.49 = -10.45
7 J↔O C 0.0016(122.2−0) + 0.0764(0−122.2) -7.23 -16.37
= +0.20-9.34 = -9.14
8 D↔T C 0.0382(161.2−0) + 0.0928(0−161.2) -7.57 -16.37
= +6.16-14.96 = -8.80
9 K↔O C 0.0054(122.2−0) + 0.0764(0−122.2) -7.43 -16.11
= +0.66-9.34 = -8.68
10 D↔E 0.0382(103.6−0) + 0.1249(0−103.6) -7.02 -16.00
= +3.96-12.94 = -8.98
11 J↔N 0.0016(111.5−0) + 0.0723(0−111.5) -7.41 -15.29
= +0.18-8.06 = -7.88
12 E↔L C 0.1249(0−103.6) + 0.0407(103.6−0) -6.56 -15.29
= -12.94+4.22 = -8.72
13 K↔N C 0.0054(111.5−0) + 0.0723(0−111.5) -7.00 -14.45
= +0.60-8.06 = -7.46
14 L↔T C 0.0407(161.2−0) + 0.0928(0−161.2) -5.91 -14.31
= +6.56-14.96 = -8.40
15 I↔J C 0.0757(0−103.6) + 0.0016(103.6−0) -5.71 -13.38
= -7.84+0.17 = -7.68
16 I↔K 0.0757(0−103.6) + 0.0054(103.6−0) -6.10 -13.38
= -7.84+0.56 = -7.28
17 J↔R 0.0016(100.2−0) + 0.0628(0−100.2) -5.69 -11.82
= +0.16-6.29 = -6.13
18 E↔S C 0.1249(0−103.6) + 0.0651(103.6−0) -5.43 -11.63
= -12.94+6.74 = -6.20
19 F↔O C 0.0240(122.2−0) + 0.0764(0−122.2) -5.19 -11.59
= +2.93-9.34 = -6.41
20 K↔R C 0.0054(100.2−0) + 0.0628(0−100.2) -5.63 -11.38
= +0.54-6.29 = -5.75
21 H↔J 0.0585(0−96.0) + 0.0016(96.0−0) = - -5.38 -10.84
5.62+0.15 = -5.46
22 H↔K C 0.0585(0−96.0) + 0.0054(96.0−0) = - -5.16 -10.26
5.62+0.52 = -5.10
23 F↔N 0.0240(111.5−0) + 0.0723(0−111.5) -4.86 -10.24
= +2.67-8.06 = -5.38
24 S↔T C 0.0651(161.2−0) + 0.0928(0−161.2) -4.67 -9.14
= +10.49-14.96 = -4.46
25 F↔I C 0.0240(103.6−0) + 0.0757(0−103.6) -3.71 -9.07
= +2.49-7.84 = -5.36
26 D↔O C 0.0382(122.2−0) + 0.0764(0−122.2) -4.18 -8.85
= +4.67-9.34 = -4.67
27 G↔T 0.0187(161.2−96.0) + -4.00 -8.83
0.0928(96.0−161.2) = +1.22-6.05 = -
4.83
28 D↔N C 0.0382(111.5−0) + 0.0723(0−111.5) -4.61 -8.41
= +4.26-8.06 = -3.80
29 L↔O 0.0407(122.2−0) + 0.0764(0−122.2) -3.77 -8.14
= +4.98-9.34 = -4.36
30 F↔R 0.0240(100.2−0) + 0.0628(0−100.2) -4.00 -7.89
= +2.40-6.29 = -3.89
31 A↔E C 0.0804(103.6−0) + 0.1249(0−103.6) -3.24 -7.85
= +8.33-12.94 = -4.61
32 T↔V 0.0928(111.5−161.2) + -3.36 -7.45
0.0105(161.2−111.5) = -4.61+0.52 =
-4.09
33 D↔I 0.0382(103.6−0) + 0.0757(0−103.6) -3.47 -7.36
= +3.96-7.84 = -3.89
34 L↔N C 0.0407(111.5−0) + 0.0723(0−111.5) -3.54 -7.06
= +4.54-8.06 = -3.52
35 C↔J C 0.0334(0−115.2) + 0.0016(115.2−0) -2.90 -6.56
= -3.85+0.18 = -3.66
36 J↔P C 0.0016(196.6−0) + 0.0214(0−196.6) -2.67 -6.56
= +0.31-4.21 = -3.89
37 I↔L C 0.0757(0−103.6) + 0.0407(103.6−0) -2.90 -6.52
= -7.84+4.22 = -3.63
38 C↔K 0.0334(0−115.2) + 0.0054(115.2−0) -2.71 -5.94
= -3.85+0.62 = -3.23
39 T↔W C 0.0928(122.2−161.2) + -2.75 -5.71
0.0168(161.2−122.2) = -3.61+0.65 =
-2.96
40 T↔U 0.0928(100.2−161.2) + -1.39 -5.39
0.0273(161.2−100.2) = -5.66+1.66 =
-3.99
41 K↔P C 0.0054(196.6−0) + 0.0214(0−196.6) -2.20 -5.35
 = +1.06-4.21 = -3.15
42 D↔R C 0.0382(100.2−0) + 0.0628(0−100.2) -2.61 -5.07
= +3.83-6.29 = -2.46
43 F↔H 0.0240(96.0−0) + 0.0585(0−96.0) = -1.57 -4.88
+2.30-5.62 = -3.31
44 C↔T C 0.0334(161.2−115.2) + -2.12 -4.85
0.0928(115.2−161.2) = +1.53-4.26 =
-2.73
45 J↔U 0.0016(100.2−0) + 0.0273(0−100.2) -2.17 -4.75
= +0.16-2.74 = -2.58
46 J↔M 0.0016(111.5−0) + 0.0251(0−111.5) -2.02 -4.64
= +0.18-2.80 = -2.62
47 T↔X C 0.0928(136.0−161.2) + -2.23 -4.51
0.0023(161.2−136.0) = -2.34+0.06 =
-2.28
48 B↔J 0.0148(0−177.6) + 0.0016(177.6−0) -1.99 -4.33
= -2.63+0.28 = -2.34
49 K↔U C 0.0054(100.2−0) + 0.0273(0−100.2) -1.96 -4.16
= +0.54-2.74 = -2.19
50 L↔R C 0.0407(100.2−0) + 0.0628(0−100.2) -1.94 -4.15
= +4.08-6.29 = -2.21
51 M↔T 0.0251(161.2−111.5) + -0.63 -4.00
0.0928(111.5−161.2) = +1.25-4.61 =
-3.37
52 H↔L C 0.0585(0−96.0) + 0.0407(96.0−0) = - -2.23 -3.94
5.62+3.91 = -1.71
53 K↔M C 0.0054(111.5−0) + 0.0251(0−111.5) -1.72 -3.92
= +0.60-2.80 = -2.20
54 O↔S 0.0764(0−122.2) + 0.0651(122.2−0) -2.27 -3.66
= -9.34+7.96 = -1.38
55 J↔W C 0.0016(122.2−0) + 0.0168(0−122.2) -1.47 -3.32
= +0.20-2.05 = -1.86
56 Q↔T C 0.0012(161.2−143.3) + -1.66 -3.29
0.0928(143.3−161.2) = +0.02-1.66 =
-1.64
57 N↔S C 0.0723(0−111.5) + 0.0651(111.5−0) -2.44 -3.24
= -8.06+7.26 = -0.80
58 B↔K C 0.0148(0−177.6) + 0.0054(177.6−0) -1.52 -3.19
= -2.63+0.96 = -1.67
59 J↔Y 0.0016(126.9−0) + 0.0166(0−126.9) -1.26 -3.16
= +0.20-2.11 = -1.90
60 I↔S C 0.0757(0−103.6) + 0.0651(103.6−0) -2.00 -3.10
= -7.84+6.74 = -1.10
61 A↔T C 0.0804(161.2−0) + 0.0928(0−161.2) -1.03 -3.03
= +12.96-14.96 = -2.00
62 R↔T 0.0628(161.2−100.2) + -1.13 -2.96
0.0928(100.2−161.2) = +3.83-5.66 =
-1.83
63 G↔J 0.0187(0−96.0) + 0.0016(96.0−0) = - -1.32 -2.96
1.80+0.15 = -1.64
64 D↔H C 0.0382(96.0−0) + 0.0585(0−96.0) = -1.00 -2.95
+3.67-5.62 = -1.95
65 T↔Y 0.0928(126.9−161.2) + -0.05 -2.66
0.0166(161.2−126.9) = -3.18+0.57 =
-2.61
66 K↔W C 0.0054(122.2−0) + 0.0168(0−122.2) -1.20 -2.59
= +0.66-2.05 = -1.39
67 G↔K C 0.0187(0−96.0) + 0.0054(96.0−0) = - -1.24 -2.52
1.80+0.52 = -1.28
68 K↔Y C 0.0054(126.9−0) + 0.0166(0−126.9) -0.92 -2.35
= +0.69-2.11 = -1.42
69 C↔F C 0.0334(0−115.2) + 0.0240(115.2−0) -1.09 -2.17
= -3.85+2.77 = -1.08
70 J↔V 0.0016(111.5−0) + 0.0105(0−111.5) -1.16 -2.15
= +0.18-1.17 = -0.99
71 H↔T 0.0585(161.2−96.0) + +0.26 -1.97
0.0928(96.0−161.2) = +3.81-6.05 = -
2.24
72 P↔X 0.0214(136.0−196.6) + -0.60 -1.75
0.0023(196.6−136.0) = -1.30+0.14 =
-1.16
73 P↔Q C 0.0214(143.3−196.6) + -0.52 -1.59
0.0012(196.6−143.3) = -1.14+0.06 =
-1.08
74 K↔V C 0.0054(111.5−0) + 0.0105(0−111.5) -0.86 -1.43
= +0.60-1.17 = -0.57
75 I↔T C 0.0757(161.2−103.6) + -0.44 -1.42
0.0928(103.6−161.2) = +4.36-5.34 =
-0.98
76 O↔U C 0.0764(100.2−122.2) + -0.29 -1.38
0.0273(122.2−100.2) = -1.68+0.60 =
-1.08
77 P↔V C 0.0214(111.5−196.6) + -0.41 -1.34
0.0105(196.6−111.5) = -1.82+0.89 =
-0.93
78 G↔O C 0.0187(122.2−96.0) + +0.26 -1.26
0.0764(96.0−122.2) = +0.49-2.00 = -
1.51
79 G↔N 0.0187(111.5−96.0) + -0.32 -1.15
0.0723(96.0−111.5) = +0.29-1.12 = -
0.83
80 B↔X C 0.0148(136.0−177.6) + -0.54 -1.06
 0.0023(177.6−136.0) = -0.62+0.10 =
-0.52
81 P↔Z C 0.0214(159.4−196.6) + -0.27 -1.04
0.0009(196.6−159.4) = -0.80+0.03 =
-0.76
82 N↔U 0.0723(100.2−111.5) + -0.50 -1.01
0.0273(111.5−100.2) = -0.81+0.31 =
-0.51
83 B↔Q C 0.0148(143.3−177.6) + -0.52 -0.99
0.0012(177.6−143.3) = -0.51+0.04 =
-0.47
84 R↔S C 0.0628(0−100.2) + 0.0651(100.2−0) -0.97 -0.74
= -6.29+6.52 = +0.23
85 O↔R C 0.0764(100.2−122.2) + -0.37 -0.67
0.0628(122.2−100.2) = -1.68+1.38 =
-0.30
86 P↔Y C 0.0214(126.9−196.6) + -0.29 -0.62
0.0166(196.6−126.9) = -1.49+1.16 =
-0.33
87 B↔Z C 0.0148(159.4−177.6) + -0.36 -0.61
0.0009(177.6−159.4) = -0.27+0.02 =
-0.25
88 T↔Z C 0.0928(159.4−161.2) + -0.42 -0.58
0.0009(161.2−159.4) = -0.17+0.00 =
-0.16
89 R↔U 0.0628(100.2−100.2) + -0.54 -0.54
0.0273(100.2−100.2) = +0.00+0.00 =
+0.00
90 E↔I 0.1249(103.6−103.6) + -0.53 -0.53
0.0757(103.6−103.6) = +0.00+0.00 =
+0.00
91 F↔U 0.0240(100.2−0) + 0.0273(0−100.2) -0.15 -0.48
= +2.40-2.74 = -0.33
92 B↔V 0.0148(111.5−177.6) + -0.10 -0.38
0.0105(177.6−111.5) = -0.98+0.69 =
-0.28
93 H↔N 0.0585(111.5−96.0) + -0.16 -0.38
0.0723(96.0−111.5) = +0.90-1.12 = -
0.21
94 C↔G C 0.0334(96.0−115.2) + -0.09 -0.37
0.0187(115.2−96.0) = -0.64+0.36 = -
0.28
95 G↔R 0.0187(100.2−96.0) + -0.18 -0.36
0.0628(96.0−100.2) = +0.08-0.26 = -
0.19
96 V↔Y 0.0105(126.9−111.5) + -0.25 -0.35
0.0166(111.5−126.9) = +0.16-0.26 =
-0.09
97 E↔H C 0.1249(96.0−103.6) + +0.19 -0.31
0.0585(103.6−96.0) = -0.95+0.44 = -
0.50
98 J↔X C 0.0016(136.0−0) + 0.0023(0−136.0) -0.11 -0.20
= +0.22-0.31 = -0.10
99 D↔K 0.0382(0−0) + 0.0054(0−0) = -0.20 -0.20
+0.00+0.00 = +0.00
100 M↔O C 0.0251(122.2−111.5) + +0.38 -0.17
0.0764(111.5−122.2) = +0.27-0.82 =
-0.55
101 D↔F C 0.0382(0−0) + 0.0240(0−0) = -0.12 -0.12
+0.00+0.00 = +0.00
102 E↔U C 0.1249(100.2−103.6) + +0.23 -0.11
0.0273(103.6−100.2) = -0.43+0.09 =
-0.33
103 B↔Y 0.0148(126.9−177.6) + -0.18 -0.09
0.0166(177.6−126.9) = -0.75+0.84 =
+0.09
104 H↔O C 0.0585(122.2−96.0) + +0.38 -0.09
0.0764(96.0−122.2) = +1.54-2.00 = -
0.47
105 D↔L C 0.0382(0−0) + 0.0407(0−0) = -0.06 -0.06
+0.00+0.00 = +0.00
106 V↔W C 0.0105(122.2−111.5) + +0.02 -0.04
0.0168(111.5−122.2) = +0.11-0.18 =
-0.07
107 K↔L C 0.0054(0−0) + 0.0407(0−0) = -0.03 -0.03
+0.00+0.00 = +0.00
108 I↔O C 0.0757(122.2−103.6) + -0.00 -0.01
0.0764(103.6−122.2) = +1.41-1.42 =
-0.01
109 M↔N 0.0251(111.5−111.5) + +0.00 +0.00
0.0723(111.5−111.5) = +0.00+0.00 =
+0.00
110 Q↔Z 0.0012(159.4−143.3) + +0.00 +0.01
0.0009(143.3−159.4) = +0.02-0.01 =
+0.00
111 B↔P C 0.0148(196.6−177.6) + +0.13 +0.01
0.0214(177.6−196.6) = +0.28-0.41 =
-0.13
112 Q↔X C 0.0012(136.0−143.3) + +0.01 +0.01
0.0023(143.3−136.0) = -0.01+0.02 =
+0.01
113 J↔L C 0.0016(0−0) + 0.0407(0−0) = +0.02 +0.02
 +0.00+0.00 = +0.00
114 J↔K C 0.0016(0−0) + 0.0054(0−0) = +0.02 +0.02
+0.00+0.00 = +0.00
115 G↔W C 0.0187(122.2−96.0) + -0.03 +0.02
0.0168(96.0−122.2) = +0.49-0.44 =
+0.05
116 A↔D C 0.0804(0−0) + 0.0382(0−0) = +0.04 +0.04
+0.00+0.00 = +0.00
117 M↔V 0.0251(111.5−111.5) + +0.05 +0.05
0.0105(111.5−111.5) = +0.00+0.00 =
+0.00
118 L↔S 0.0407(0−0) + 0.0651(0−0) = +0.05 +0.05
+0.00+0.00 = +0.00
119 C↔O C 0.0334(122.2−115.2) + +0.36 +0.05
0.0764(115.2−122.2) = +0.23-0.53 =
-0.30
120 N↔R 0.0723(100.2−111.5) + +0.16 +0.05
0.0628(111.5−100.2) = -0.81+0.71 =
-0.11
121 X↔Z C 0.0023(159.4−136.0) + +0.03 +0.06
0.0009(136.0−159.4) = +0.05-0.02 =
+0.03
122 D↔S C 0.0382(0−0) + 0.0651(0−0) = +0.06 +0.06
+0.00+0.00 = +0.00
123 A↔S C 0.0804(0−0) + 0.0651(0−0) = +0.06 +0.06
+0.00+0.00 = +0.00
124 C↔W C 0.0334(122.2−115.2) + -0.05 +0.07
0.0168(115.2−122.2) = +0.23-0.12 =
+0.12
125 M↔U 0.0251(100.2−111.5) + +0.04 +0.07
0.0273(111.5−100.2) = -0.28+0.31 =
+0.02
126 D↔J C 0.0382(0−0) + 0.0016(0−0) = +0.07 +0.07
+0.00+0.00 = +0.00
127 C↔U C 0.0334(100.2−115.2) + +0.18 +0.09
0.0273(115.2−100.2) = -0.50+0.41 =
-0.09
128 I↔N C 0.0757(111.5−103.6) + +0.07 +0.09
0.0723(103.6−111.5) = +0.59-0.57 =
+0.03
129 J↔Q C 0.0016(143.3−0) + 0.0012(0−143.3) +0.04 +0.09
= +0.23-0.17 = +0.06
130 F↔K C 0.0240(0−0) + 0.0054(0−0) = +0.12 +0.12
+0.00+0.00 = +0.00
131 A↔K C 0.0804(0−0) + 0.0054(0−0) = +0.12 +0.12
+0.00+0.00 = +0.00
132 X↔Y C 0.0023(126.9−136.0) + -0.00 +0.13
0.0166(136.0−126.9) = -0.02+0.15 =
+0.13
133 K↔S C 0.0054(0−0) + 0.0651(0−0) = +0.13 +0.13
+0.00+0.00 = +0.00
134 F↔J 0.0240(0−0) + 0.0016(0−0) = +0.15 +0.15
+0.00+0.00 = +0.00
135 A↔L C 0.0804(0−0) + 0.0407(0−0) = +0.15 +0.15
+0.00+0.00 = +0.00
136 I↔R C 0.0757(100.2−103.6) + +0.20 +0.16
0.0628(103.6−100.2) = -0.26+0.21 =
-0.04
137 U↔V 0.0273(111.5−100.2) + -0.03 +0.16
0.0105(100.2−111.5) = +0.31-0.12 =
+0.19
138 J↔Z C 0.0016(159.4−0) + 0.0009(0−159.4) +0.07 +0.18
= +0.26-0.14 = +0.11
139 G↔P C 0.0187(196.6−96.0) + +0.46 +0.19
0.0214(96.0−196.6) = +1.88-2.15 = -
0.27
140 N↔O C 0.0723(122.2−111.5) + +0.24 +0.19
0.0764(111.5−122.2) = +0.78-0.82 =
-0.04
141 O↔V C 0.0764(111.5−122.2) + +0.93 +0.22
0.0105(122.2−111.5) = -0.82+0.11 =
-0.71
142 G↔V 0.0187(111.5−96.0) + +0.10 +0.22
0.0105(96.0−111.5) = +0.29-0.16 =
+0.13
143 C↔V C 0.0334(111.5−115.2) + +0.31 +0.22
0.0105(115.2−111.5) = -0.13+0.04 =
-0.09
144 F↔M 0.0240(111.5−0) + 0.0251(0−111.5) +0.35 +0.22
= +2.67-2.80 = -0.12
145 F↔S C 0.0240(0−0) + 0.0651(0−0) = +0.22 +0.22
+0.00+0.00 = +0.00
146 E↔G C 0.1249(96.0−103.6) + +1.04 +0.24
0.0187(103.6−96.0) = -0.95+0.14 = -
0.81
147 M↔Y 0.0251(126.9−111.5) + +0.13 +0.26
0.0166(111.5−126.9) = +0.39-0.26 =
+0.13
148 H↔U 0.0585(100.2−96.0) + +0.14 +0.28
0.0273(96.0−100.2) = +0.25-0.11 =
+0.13
149 G↔U 0.0187(100.2−96.0) + +0.31 +0.28
 0.0273(96.0−100.2) = +0.08-0.11 = -
0.04
150 J↔S C 0.0016(0−0) + 0.0651(0−0) = +0.29 +0.29
+0.00+0.00 = +0.00
151 V↔X C 0.0105(136.0−111.5) + +0.12 +0.33
0.0023(111.5−136.0) = +0.26-0.06 =
+0.20
152 Q↔Y C 0.0012(126.9−143.3) + +0.10 +0.35
0.0166(143.3−126.9) = -0.02+0.27 =
+0.25
153 W↔Y C 0.0168(126.9−122.2) + +0.37 +0.37
0.0166(122.2−126.9) = +0.08-0.08 =
+0.00
154 N↔T 0.0723(161.2−111.5) + +1.39 +0.37
0.0928(111.5−161.2) = +3.59-4.61 =
-1.02
155 B↔W C 0.0148(122.2−177.6) + +0.26 +0.37
0.0168(177.6−122.2) = -0.82+0.93 =
+0.11
156 E↔R C 0.1249(100.2−103.6) + +0.59 +0.38
0.0628(103.6−100.2) = -0.43+0.21 =
-0.21
157 H↔I C 0.0585(103.6−96.0) + +0.51 +0.38
0.0757(96.0−103.6) = +0.44-0.58 = -
0.13
158 W↔X 0.0168(136.0−122.2) + +0.19 +0.39
0.0023(122.2−136.0) = +0.23-0.03 =
+0.20
159 P↔W 0.0214(122.2−196.6) + +0.74 +0.40
0.0168(196.6−122.2) = -1.59+1.25 =
-0.34
160 G↔M 0.0187(111.5−96.0) + +0.54 +0.45
0.0251(96.0−111.5) = +0.29-0.39 = -
0.10
161 F↔L C 0.0240(0−0) + 0.0407(0−0) = +0.45 +0.45
+0.00+0.00 = +0.00
162 Q↔V C 0.0012(111.5−143.3) + +0.20 +0.50
0.0105(143.3−111.5) = -0.04+0.33 =
+0.30
163 O↔W 0.0764(122.2−122.2) + +0.53 +0.53
0.0168(122.2−122.2) = +0.00+0.00 =
+0.00
164 A↔F C 0.0804(0−0) + 0.0240(0−0) = +0.56 +0.56
+0.00+0.00 = +0.00
165 U↔W C 0.0273(122.2−100.2) + +0.35 +0.58
0.0168(100.2−122.2) = +0.60-0.37 =
+0.23
166 U↔Y 0.0273(126.9−100.2) + +0.31 +0.60
0.0166(100.2−126.9) = +0.73-0.44 =
+0.29
167 I↔U C 0.0757(100.2−103.6) + +0.77 +0.60
0.0273(103.6−100.2) = -0.26+0.09 =
-0.16
168 G↔Y 0.0187(126.9−96.0) + +0.54 +0.61
0.0166(96.0−126.9) = +0.58-0.51 =
+0.06
169 O↔T C 0.0764(161.2−122.2) + +1.27 +0.63
0.0928(122.2−161.2) = +2.97-3.61 =
-0.64
170 E↔N C 0.1249(111.5−103.6) + +0.22 +0.63
0.0723(103.6−111.5) = +0.98-0.57 =
+0.41
171 M↔W C 0.0251(122.2−111.5) + +0.56 +0.65
0.0168(111.5−122.2) = +0.27-0.18 =
+0.09
172 C↔M C 0.0334(111.5−115.2) + +0.70 +0.66
0.0251(115.2−111.5) = -0.13+0.10 =
-0.03
173 K↔X C 0.0054(136.0−0) + 0.0023(0−136.0) +0.25 +0.67
= +0.73-0.31 = +0.42
174 A↔J C 0.0804(0−0) + 0.0016(0−0) = +0.68 +0.68
+0.00+0.00 = +0.00
175 Q↔W C 0.0012(122.2−143.3) + +0.38 +0.71
0.0168(143.3−122.2) = -0.03+0.35 =
+0.33
176 B↔G 0.0148(96.0−177.6) + +0.39 +0.71
0.0187(177.6−96.0) = -1.21+1.53 =
+0.32
177 G↔I C 0.0187(103.6−96.0) + +1.15 +0.71
0.0757(96.0−103.6) = +0.14-0.58 = -
0.43
178 Y↔Z C 0.0166(159.4−126.9) + +0.27 +0.78
0.0009(126.9−159.4) = +0.54-0.03 =
+0.51
179 A↔N C 0.0804(111.5−0) + 0.0723(0−111.5) -0.12 +0.78
= +8.96-8.06 = +0.90
180 F↔G 0.0240(96.0−0) + 0.0187(0−96.0) = +0.27 +0.78
+2.30-1.80 = +0.51
181 H↔S C 0.0585(0−96.0) + 0.0651(96.0−0) = - +0.17 +0.80
5.62+6.25 = +0.63
182 C↔Y C 0.0334(126.9−115.2) + +0.61 +0.81
0.0166(115.2−126.9) = +0.39-0.19 =
 +0.20
183 V↔Z C 0.0105(159.4−111.5) + +0.36 +0.82
0.0009(111.5−159.4) = +0.50-0.04 =
+0.46
184 M↔P C 0.0251(196.6−111.5) + +0.51 +0.83
0.0214(111.5−196.6) = +2.14-1.82 =
+0.32
185 N↔V 0.0723(111.5−111.5) + +0.85 +0.85
0.0105(111.5−111.5) = +0.00+0.00 =
+0.00
186 A↔I C 0.0804(103.6−0) + 0.0757(0−103.6) +0.36 +0.85
= +8.33-7.84 = +0.49
187 E↔O C 0.1249(122.2−103.6) + -0.04 +0.87
0.0764(103.6−122.2) = +2.33-1.42 =
+0.90
188 M↔R 0.0251(100.2−111.5) + +0.50 +0.92
0.0628(111.5−100.2) = -0.28+0.71 =
+0.42
189 A↔O C 0.0804(122.2−0) + 0.0764(0−122.2) +0.44 +0.93
= +9.83-9.34 = +0.49
190 C↔D 0.0334(0−115.2) + 0.0382(115.2−0) +0.42 +0.98
= -3.85+4.40 = +0.55
191 K↔Q C 0.0054(143.3−0) + 0.0012(0−143.3) +0.42 +1.02
= +0.77-0.17 = +0.60
192 G↔X C 0.0187(136.0−96.0) + +0.39 +1.04
0.0023(96.0−136.0) = +0.75-0.09 =
+0.66
193 C↔X C 0.0334(136.0−115.2) + +0.40 +1.04
0.0023(115.2−136.0) = +0.69-0.05 =
+0.64
194 C↔N C 0.0334(111.5−115.2) + +0.95 +1.10
0.0723(115.2−111.5) = -0.13+0.27 =
+0.15
195 H↔M 0.0585(111.5−96.0) + +0.59 +1.10
0.0251(96.0−111.5) = +0.90-0.39 =
+0.52
196 M↔X C 0.0251(136.0−111.5) + +0.58 +1.14
0.0023(111.5−136.0) = +0.62-0.06 =
+0.56
197 R↔V 0.0628(111.5−100.2) + +0.55 +1.14
0.0105(100.2−111.5) = +0.71-0.12 =
+0.59
198 K↔Z C 0.0054(159.4−0) + 0.0009(0−159.4) +0.50 +1.21
= +0.86-0.14 = +0.72
199 W↔Z C 0.0168(159.4−122.2) + +0.63 +1.22
0.0009(122.2−159.4) = +0.62-0.03 =
+0.59
200 F↔W C 0.0240(122.2−0) + 0.0168(0−122.2) +0.38 +1.26
= +2.93-2.05 = +0.88
201 C↔I 0.0334(103.6−115.2) + +0.79 +1.29
0.0757(115.2−103.6) = -0.39+0.88 =
+0.49
202 G↔Q C 0.0187(143.3−96.0) + +0.52 +1.35
0.0012(96.0−143.3) = +0.88-0.06 =
+0.83
203 B↔M 0.0148(111.5−177.6) + +0.74 +1.42
0.0251(177.6−111.5) = -0.98+1.66 =
+0.68
204 P↔U C 0.0214(100.2−196.6) + +0.89 +1.46
0.0273(196.6−100.2) = -2.06+2.63 =
+0.57
205 U↔X C 0.0273(136.0−100.2) + +0.58 +1.47
0.0023(100.2−136.0) = +0.98-0.08 =
+0.89
206 C↔Q C 0.0334(143.3−115.2) + +0.61 +1.51
0.0012(115.2−143.3) = +0.94-0.03 =
+0.90
207 C↔R C 0.0334(100.2−115.2) + +1.12 +1.57
0.0628(115.2−100.2) = -0.50+0.94 =
+0.44
208 M↔Q C 0.0251(143.3−111.5) + +0.82 +1.58
0.0012(111.5−143.3) = +0.80-0.04 =
+0.76
209 O↔Y C 0.0764(126.9−122.2) + +1.34 +1.62
0.0166(122.2−126.9) = +0.36-0.08 =
+0.28
210 R↔W C 0.0628(122.2−100.2) + +0.66 +1.68
0.0168(100.2−122.2) = +1.38-0.37 =
+1.01
211 N↔W C 0.0723(122.2−111.5) + +1.08 +1.68
0.0168(111.5−122.2) = +0.78-0.18 =
+0.60
212 N↔Y 0.0723(126.9−111.5) + +0.88 +1.74
0.0166(111.5−126.9) = +1.12-0.26 =
+0.86
213 B↔U 0.0148(100.2−177.6) + +0.80 +1.77
0.0273(177.6−100.2) = -1.15+2.11 =
+0.97
214 I↔M C 0.0757(111.5−103.6) + +1.42 +1.82
0.0251(103.6−111.5) = +0.59-0.20 =
+0.40
215 Q↔U C 0.0012(100.2−143.3) + +0.74 +1.86
 0.0273(143.3−100.2) = -0.05+1.18 =
+1.12
216 C↔E 0.0334(103.6−115.2) + +0.83 +1.90
0.1249(115.2−103.6) = -0.39+1.45 =
+1.06
217 G↔Z C 0.0187(159.4−96.0) + +0.78 +1.91
0.0009(96.0−159.4) = +1.19-0.06 =
+1.13
218 E↔M C 0.1249(111.5−103.6) + +1.15 +1.93
0.0251(103.6−111.5) = +0.98-0.20 =
+0.78
219 D↔U C 0.0382(100.2−0) + 0.0273(0−100.2) +0.86 +1.95
= +3.83-2.74 = +1.09
220 C↔L C 0.0334(0−115.2) + 0.0407(115.2−0) +1.37 +2.21
= -3.85+4.69 = +0.84
221 F↔P C 0.0240(196.6−0) + 0.0214(0−196.6) +1.75 +2.26
= +4.72-4.21 = +0.51
222 F↔Y 0.0240(126.9−0) + 0.0166(0−126.9) +1.32 +2.26
= +3.05-2.11 = +0.94
223 M↔Z C 0.0251(159.4−111.5) + +1.16 +2.32
0.0009(111.5−159.4) = +1.20-0.04 =
+1.16
224 B↔T 0.0148(161.2−177.6) + +1.09 +2.37
0.0928(177.6−161.2) = -0.24+1.53 =
+1.28
225 R↔Y 0.0628(126.9−100.2) + +1.14 +2.37
0.0166(100.2−126.9) = +1.68-0.44 =
+1.23
226 I↔V C 0.0757(111.5−103.6) + +1.87 +2.38
0.0105(103.6−111.5) = +0.59-0.08 =
+0.51
227 C↔Z C 0.0334(159.4−115.2) + +1.06 +2.50
0.0009(115.2−159.4) = +1.47-0.04 =
+1.43
228 B↔C C 0.0148(115.2−177.6) + +1.34 +2.50
0.0334(177.6−115.2) = -0.92+2.08 =
+1.16
229 F↔V 0.0240(111.5−0) + 0.0105(0−111.5) +1.02 +2.52
= +2.67-1.17 = +1.50
230 L↔U C 0.0407(100.2−0) + 0.0273(0−100.2) +1.24 +2.58
= +4.08-2.74 = +1.34
231 U↔Z C 0.0273(159.4−100.2) + +1.11 +2.67
0.0009(100.2−159.4) = +1.62-0.05 =
+1.56
232 I↔W C 0.0757(122.2−103.6) + +1.61 +2.70
0.0168(103.6−122.2) = +1.41-0.31 =
+1.10
233 H↔Y 0.0585(126.9−96.0) + +1.42 +2.72
0.0166(96.0−126.9) = +1.81-0.51 =
+1.29
234 C↔P C 0.0334(196.6−115.2) + +1.76 +2.74
0.0214(115.2−196.6) = +2.72-1.74 =
+0.98
235 H↔R 0.0585(100.2−96.0) + +2.91 +2.89
0.0628(96.0−100.2) = +0.25-0.26 = -
0.02
236 O↔X 0.0764(136.0−122.2) + +1.91 +2.92
0.0023(122.2−136.0) = +1.05-0.03 =
+1.02
237 B↔F 0.0148(0−177.6) + 0.0240(177.6−0) +1.36 +2.99
= -2.63+4.26 = +1.63
238 D↔M C 0.0382(111.5−0) + 0.0251(0−111.5) +1.56 +3.02
= +4.26-2.80 = +1.46
239 A↔R C 0.0804(100.2−0) + 0.0628(0−100.2) +1.43 +3.19
= +8.06-6.29 = +1.76
240 D↔G C 0.0382(96.0−0) + 0.0187(0−96.0) = +1.37 +3.24
+3.67-1.80 = +1.87
241 G↔H 0.0187(96.0−96.0) + +3.35 +3.35
0.0585(96.0−96.0) = +0.00+0.00 =
+0.00
242 E↔V C 0.1249(111.5−103.6) + +2.49 +3.39
0.0105(103.6−111.5) = +0.98-0.08 =
+0.90
243 E↔W C 0.1249(122.2−103.6) + +1.44 +3.46
0.0168(103.6−122.2) = +2.33-0.31 =
+2.01
244 L↔M C 0.0407(111.5−0) + 0.0251(0−111.5) +1.77 +3.51
= +4.54-2.80 = +1.74
245 N↔X C 0.0723(136.0−111.5) + +1.96 +3.68
0.0023(111.5−136.0) = +1.77-0.06 =
+1.72
246 I↔Y C 0.0757(126.9−103.6) + +2.43 +3.80
0.0166(103.6−126.9) = +1.76-0.39 =
+1.38
247 R↔X C 0.0628(136.0−100.2) + +1.67 +3.83
0.0023(100.2−136.0) = +2.25-0.08 =
+2.16
248 O↔Q C 0.0764(143.3−122.2) + +2.27 +3.86
0.0012(122.2−143.3) = +1.61-0.03 =
+1.58
249 C↔H C 0.0334(96.0−115.2) + +3.47 +3.96
0.0585(115.2−96.0) = -0.64+1.13 =
 +0.48
250 D↔W C 0.0382(122.2−0) + 0.0168(0−122.2) +1.63 +4.25
= +4.67-2.05 = +2.62
251 G↔L C 0.0187(0−96.0) + 0.0407(96.0−0) = - +2.24 +4.35
1.80+3.91 = +2.11
252 H↔W C 0.0585(122.2−96.0) + +3.28 +4.37
0.0168(96.0−122.2) = +1.54-0.44 =
+1.09
253 E↔T C 0.1249(161.2−103.6) + +2.68 +4.52
0.0928(103.6−161.2) = +7.19-5.34 =
+1.85
254 A↔H C 0.0804(96.0−0) + 0.0585(0−96.0) = +2.59 +4.69
+7.72-5.62 = +2.10
255 Q↔R C 0.0012(100.2−143.3) + +2.22 +4.87
0.0628(143.3−100.2) = -0.05+2.71 =
+2.65
256 H↔V 0.0585(111.5−96.0) + +4.13 +4.88
0.0105(96.0−111.5) = +0.90-0.16 =
+0.74
257 N↔Q C 0.0723(143.3−111.5) + +2.74 +5.00
0.0012(111.5−143.3) = +2.30-0.04 =
+2.26
258 F↔X C 0.0240(136.0−0) + 0.0023(0−136.0) +2.19 +5.14
= +3.26-0.31 = +2.95
259 I↔X C 0.0757(136.0−103.6) + +3.04 +5.41
0.0023(103.6−136.0) = +2.45-0.07 =
+2.38
260 D↔Y C 0.0382(126.9−0) + 0.0166(0−126.9) +2.69 +5.43
= +4.85-2.11 = +2.74
261 D↔V C 0.0382(111.5−0) + 0.0105(0−111.5) +2.42 +5.51
= +4.26-1.17 = +3.09
262 E↔Y C 0.1249(126.9−103.6) + +3.00 +5.53
0.0166(103.6−126.9) = +2.91-0.39 =
+2.52
263 F↔Q C 0.0240(143.3−0) + 0.0012(0−143.3) +2.44 +5.70
= +3.44-0.17 = +3.27
264 L↔W 0.0407(122.2−0) + 0.0168(0−122.2) +2.84 +5.76
= +4.98-2.05 = +2.92
265 L↔Y C 0.0407(126.9−0) + 0.0166(0−126.9) +3.00 +6.06
= +5.17-2.11 = +3.06
266 D↔P C 0.0382(196.6−0) + 0.0214(0−196.6) +2.88 +6.18
= +7.51-4.21 = +3.30
267 O↔Z C 0.0764(159.4−122.2) + +3.41 +6.22
0.0009(122.2−159.4) = +2.84-0.03 =
+2.80
268 S↔U C 0.0651(100.2−0) + 0.0273(0−100.2) +2.45 +6.24
= +6.52-2.74 = +3.79
269 P↔T C 0.0214(161.2−196.6) + +3.72 +6.25
0.0928(196.6−161.2) = -0.76+3.29 =
+2.53
270 I↔Q C 0.0757(143.3−103.6) + +3.34 +6.30
0.0012(103.6−143.3) = +3.00-0.05 =
+2.96
271 C↔S C 0.0334(0−115.2) + 0.0651(115.2−0) +2.65 +6.30
= -3.85+7.50 = +3.65
272 F↔Z C 0.0240(159.4−0) + 0.0009(0−159.4) +2.76 +6.44
= +3.83-0.14 = +3.68
273 L↔V C 0.0407(111.5−0) + 0.0105(0−111.5) +3.14 +6.51
= +4.54-1.17 = +3.37
274 R↔Z C 0.0628(159.4−100.2) + +3.17 +6.83
0.0009(100.2−159.4) = +3.72-0.05 =
+3.66
275 H↔X C 0.0585(136.0−96.0) + +4.63 +6.88
0.0023(96.0−136.0) = +2.34-0.09 =
+2.25
276 E↔X C 0.1249(136.0−103.6) + +3.08 +7.05
0.0023(103.6−136.0) = +4.04-0.07 =
+3.97
277 N↔Z C 0.0723(159.4−111.5) + +3.92 +7.34
0.0009(111.5−159.4) = +3.46-0.04 =
+3.42
278 B↔R 0.0148(100.2−177.6) + +3.68 +7.40
0.0628(177.6−100.2) = -1.15+4.86 =
+3.72
279 L↔P 0.0407(196.6−0) + 0.0214(0−196.6) +3.83 +7.63
= +8.00-4.21 = +3.79
280 B↔D C 0.0148(0−177.6) + 0.0382(177.6−0) +3.49 +7.65
= -2.63+6.79 = +4.16
281 O↔P 0.0764(196.6−122.2) + +3.75 +7.84
0.0214(122.2−196.6) = +5.68-1.59 =
+4.09
282 H↔Q C 0.0585(143.3−96.0) + +5.14 +7.85
0.0012(96.0−143.3) = +2.77-0.06 =
+2.71
283 H↔P C 0.0585(196.6−96.0) + +4.15 +7.88
0.0214(96.0−196.6) = +5.89-2.15 =
+3.73
284 M↔S C 0.0251(0−111.5) + 0.0651(111.5−0) +3.43 +7.89
= -2.80+7.26 = +4.46
285 G↔S C 0.0187(0−96.0) + 0.0651(96.0−0) = - +3.47 +7.92
1.80+6.25 = +4.45
286 P↔R C 0.0214(100.2−196.6) + +3.96 +7.95
 0.0628(196.6−100.2) = -2.06+6.06 =
+3.99
287 E↔Q C 0.1249(143.3−103.6) + +3.65 +8.55
0.0012(103.6−143.3) = +4.96-0.05 =
+4.91
288 B↔O C 0.0148(122.2−177.6) + +5.15 +8.56
0.0764(177.6−122.2) = -0.82+4.23 =
+3.41
289 D↔X C 0.0382(136.0−0) + 0.0023(0−136.0) +3.68 +8.56
= +5.19-0.31 = +4.88
290 I↔Z C 0.0757(159.4−103.6) + +4.44 +8.61
0.0009(103.6−159.4) = +4.22-0.05 =
+4.17
291 B↔N 0.0148(111.5−177.6) + +5.02 +8.83
0.0723(177.6−111.5) = -0.98+4.78 =
+3.80
292 N↔P C 0.0723(196.6−111.5) + +4.77 +9.11
0.0214(111.5−196.6) = +6.16-1.82 =
+4.33
293 D↔Q C 0.0382(143.3−0) + 0.0012(0−143.3) +4.02 +9.32
= +5.47-0.17 = +5.30
294 B↔L C 0.0148(0−177.6) + 0.0407(177.6−0) +4.74 +9.34
= -2.63+7.23 = +4.60
295 S↔W 0.0651(122.2−0) + 0.0168(0−122.2) +3.94 +9.84
= +7.96-2.05 = +5.90
296 H↔Z C 0.0585(159.4−96.0) + +6.24 +9.89
0.0009(96.0−159.4) = +3.71-0.06 =
+3.65
297 L↔X 0.0407(136.0−0) + 0.0023(0−136.0) +4.75 +9.97
= +5.53-0.31 = +5.22
298 I↔P C 0.0757(196.6−103.6) + +5.09 +10.14
0.0214(103.6−196.6) = +7.04-1.99 =
+5.05
299 B↔I C 0.0148(103.6−177.6) + +5.78 +10.28
0.0757(177.6−103.6) = -1.10+5.60 =
+4.51
300 A↔C C 0.0804(115.2−0) + 0.0334(0−115.2) +4.90 +10.32
= +9.27-3.85 = +5.42
301 D↔Z C 0.0382(159.4−0) + 0.0009(0−159.4) +4.54 +10.48
= +6.09-0.14 = +5.94
302 A↔U C 0.0804(100.2−0) + 0.0273(0−100.2) +5.44 +10.76
= +8.06-2.74 = +5.32
303 S↔V C 0.0651(111.5−0) + 0.0105(0−111.5) +4.76 +10.85
= +7.26-1.17 = +6.09
304 L↔Q C 0.0407(143.3−0) + 0.0012(0−143.3) +5.32 +10.98
= +5.83-0.17 = +5.66
305 S↔Y C 0.0651(126.9−0) + 0.0166(0−126.9) +4.93 +11.08
= +8.26-2.11 = +6.15
306 B↔H 0.0148(96.0−177.6) + +8.18 +11.75
0.0585(177.6−96.0) = -1.21+4.77 =
+3.57
307 A↔G C 0.0804(96.0−0) + 0.0187(0−96.0) = +6.00 +11.92
+7.72-1.80 = +5.92
308 E↔Z C 0.1249(159.4−103.6) + +5.24 +12.16
0.0009(103.6−159.4) = +6.97-0.05 =
+6.92
309 L↔Z C 0.0407(159.4−0) + 0.0009(0−159.4) +5.96 +12.30
= +6.49-0.14 = +6.34
310 A↔M C 0.0804(111.5−0) + 0.0251(0−111.5) +6.38 +12.54
= +8.96-2.80 = +6.16
311 A↔W C 0.0804(122.2−0) + 0.0168(0−122.2) +6.63 +14.40
= +9.83-2.05 = +7.77
312 S↔X 0.0651(136.0−0) + 0.0023(0−136.0) +6.23 +14.76
= +8.85-0.31 = +8.54
313 P↔S 0.0214(0−196.6) + 0.0651(196.6−0) +6.39 +14.98
= -4.21+12.80 = +8.59
314 A↔V C 0.0804(111.5−0) + 0.0105(0−111.5) +7.66 +15.45
= +8.96-1.17 = +7.79
315 B↔S C 0.0148(0−177.6) + 0.0651(177.6−0) +7.09 +16.03
= -2.63+11.56 = +8.93
316 Q↔S C 0.0012(0−143.3) + 0.0651(143.3−0) +6.88 +16.03
= -0.17+9.33 = +9.16
317 A↔Y C 0.0804(126.9−0) + 0.0166(0−126.9) +8.48 +16.58
= +10.20-2.11 = +8.10
318 E↔P C 0.1249(196.6−103.6) + +7.15 +16.78
0.0214(103.6−196.6) = +11.62-1.99
= +9.63
319 B↔E C 0.0148(103.6−177.6) + +8.81 +16.95
0.1249(177.6−103.6) = -1.10+9.24 =
+8.15
320 S↔Z C 0.0651(159.4−0) + 0.0009(0−159.4) +7.69 +17.92
= +10.38-0.14 = +10.23
321 A↔X C 0.0804(136.0−0) + 0.0023(0−136.0) +9.40 +20.02
= +10.93-0.31 = +10.62
322 A↔Q 0.0804(143.3−0) + 0.0012(0−143.3) +9.60 +20.95
= +11.52-0.17 = +11.35
323 A↔P C 0.0804(196.6−0) + 0.0214(0−196.6) +11.13 +22.73
= +15.81-4.21 = +11.60
324 A↔B C 0.0804(177.6−0) + 0.0148(0−177.6) +11.50 +23.15
= +14.28-2.63 = +11.65
325 A↔Z 0.0804(159.4−0) + 0.0009(0−159.4) +10.72 +23.39
= +12.81-0.14 = +12.67