*HEADER    ISOMERASE                               18-SEP-13   2MDU              
*TITLE     CIRCULAR PERMUTANT OF THE WW DOMAIN WITH LOOP 1 EXCISED               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PIN1 WW DOMAIN;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    CIRCULAR PERMUTATION, MINIPROTEIN, DYNAMICS, FOLDING, ISOMERASE       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    22                                                                    
*AUTHOR    B.L.KIER                                                              
*REVDAT   1   15-JAN-14 2MDU    0                                                


range  #1 proton1  #2 proton2 dist dist - dist +
27 resid 1 ha resid 28 hz3 3.33 0.54 0.64
27 resid 1 ha resid 28 hh2 3.59 0.62 0.73
27 resid 2 ha resid 29 hn 3.53 0.6 0.51
26 resid 28 hz3 resid 2 hd1 2.96 0.42 0.74
26 resid 28 hz3 resid 2 he1 3.19 0.49 0.8
26 resid 28 hb2 resid 2 hz3 3.34 0.54 0.64
26 resid 28 ha resid 2 he3 3.35 0.54 0.65
26 resid 28 he3 resid 2 hz3 3.39 0.56 0.86
26 resid 28 he3 resid 2 he3 3.67 0.65 0.96
26 resid 28 hb2 resid 2 he3 3.7 0.66 0.78
26 resid 28 he3 resid 2 hd1 3.83 0.7 1.03
26 resid 28 hz3 resid 2 hn 3.95 0.73 0.89
26 resid 29 hb2 resid 3 he# 3.32 0.51 0.83
26 resid 29 hb1 resid 3 hd# 3.34 0.52 0.84
26 resid 29 hb2 resid 3 hd# 3.34 0.52 0.84
26 resid 2 hz3 resid 28 hn 3.9 0.72 0.87
26 resid 3 hd# resid 29 hn 3.33 0.52 0.83
26 resid 3 he# resid 29 hn 3.44 0.55 0.86
25 resid 2 hz3 resid 27 hn 3.83 0.7 0.83
25 resid 2 he3 resid 27 hn 3.84 0.7 0.84
24 resid 26 hg2 resid 2 he3 2.86 0.39 0.51
24 resid 26 hg1 resid 2 he3 3.42 0.57 0.67
24 resid 26 hb1 resid 2 he3 4.08 0.78 0.96
24 resid 27 hn resid 3 hn 3.03 0.44 0.35
24 resid 27 hb1 resid 3 hz 3.38 0.55 0.65
24 resid 27 hb1 resid 3 he# 3.56 0.59 0.9
24 resid 27 hb2 resid 3 hz 3.88 0.71 0.86
24 resid 27 hb1 resid 3 hd# 4.02 0.74 1.09
24 resid 27 hb2 resid 3 hd# 4.06 0.75 1.11
23 resid 4 ha resid 27 hn 3.64 0.63 0.55
23 resid 4 hd# resid 27 hn 4.05 0.75 1.11
22 resid 26 hb2 resid 4 he# 3.15 0.46 0.78
22 resid 26 hb2 resid 4 hd# 3.55 0.59 0.9
22 resid 26 hd1 resid 4 he# 3.61 0.6 0.92
22 resid 26 ha resid 4 hd# 3.66 0.62 0.94
22 resid 26 hb1 resid 4 he# 4.08 0.76 1.12
22 resid 26 hg1 resid 4 he# 4.17 0.78 1.17
21 resid 26 ha resid 5 hn 3.39 0.56 0.46
20 resid 24 he3 resid 4 hd# 3.47 0.56 1.08
20 resid 25 hb2 resid 5 hd# 3.08 0.44 0.76
20 resid 4 hb2 resid 24 he3 2.56 0.29 0.45
20 resid 4 hb1 resid 24 he3 3.21 0.5 0.6
20 resid 4 ha resid 24 he3 3.53 0.6 0.71
20 resid 5 hb2 resid 25 hn 3.49 0.59 0.49
20 resid 5 hb1 resid 25 hn 3.96 0.74 0.69
19 resid 24 he3 resid 5 hn 3.08 0.46 0.57
19 resid 6 ha resid 25 hn 3.35 0.54 0.45
18 resid 24 he3 resid 6 hn 4.5 1.16 1.36
18 resid 24 hh2 resid 6 hn 4.5 1.36 1.56
18 resid 6 hb1 resid 24 hz3 2.67 0.33 0.47
18 resid 6 ha resid 24 hn 3.08 0.46 0.37
18 resid 6 hb2 resid 24 hz3 3.15 0.48 0.58
18 resid 6 hd21 resid 24 he1 3.28 0.52 0.62
18 resid 6 hb1 resid 24 hh2 3.31 0.53 0.63
18 resid 6 hb2 resid 24 he3 3.32 0.53 0.64
18 resid 6 hd22 resid 24 he1 3.59 0.62 0.73
18 resid 6 hb1 resid 24 he3 3.65 0.64 0.75
18 resid 6 hd21 resid 24 he3 3.68 0.65 0.77
18 resid 6 ha resid 24 he3 3.76 0.67 0.8
18 resid 6 ha resid 24 hb1 3.92 0.72 0.67
18 resid 6 hd22 resid 24 hn 4.04 0.76 0.74
17 resid 23 ha2 resid 6 hd22 3.57 0.62 0.53
17 resid 23 ha2 resid 6 hd21 4.18 0.81 0.82
17 resid 24 ha resid 7 hn 3.18 0.49 0.39
16 resid 23 ha2 resid 7 hn 3.85 0.7 0.64
16 resid 23 ha1 resid 7 hb1 4.06 0.77 0.75
15 resid 23 ha2 resid 8 hd1# 3.95 0.6 0.5
15 resid 23 ha1 resid 8 hd1# 4 0.6 0.5
15 resid 21 hg2# resid 6 hd2* 3.59 0.62 0.53
13 resid 11 hb2 resid 24 hh2 3.87 1.01 1.15
13 resid 11 hb2 resid 24 hz3 3.87 1.01 1.15
13 resid 11 hb1 resid 24 hh2 4.02 0.96 1.13
13 resid 11 hg1 resid 24 hh2 4.06 0.97 1.15
13 resid 17 hd1 resid 4 hd# 3.6 0.6 0.92
13 resid 17 hd2 resid 4 hd# 3.84 0.68 1.01
13 resid 17 hd2 resid 4 he# 3.99 0.73 1.08
13 resid 17 hd1 resid 4 he# 4.03 0.74 1.1
13 resid 17 hg2 resid 4 hd# 4.16 0.78 1.16
13 resid 1 hg2 resid 14 hd# 3.99 0.73 1.08
13 resid 1 hg2 resid 14 he# 4.21 0.79 1.19
13 resid 1 hg1 resid 14 he# 4.47 0.88 1.34
12 resid 16 ha resid 4 he# 3.16 0.46 0.79
12 resid 4 he# resid 16 hn 3.53 0.58 0.89
11 resid 13 hg2 resid 24 hh2 4.6 0.94 1.31
11 resid 14 ha resid 3 hb1 3.35 0.54 0.44
11 resid 14 ha resid 3 hd# 3.65 0.62 0.94
11 resid 14 ha resid 3 hb2 4 0.75 0.72
11 resid 15 ha resid 4 he# 3.98 0.72 1.07
11 resid 15 ha resid 4 hd# 6.46 1.51 4.17
11 resid 24 hz3 resid 13 hn 3.22 0.5 0.61
11 resid 3 hb1 resid 14 hd# 3.01 0.42 0.75
11 resid 3 hb2 resid 14 hd# 3.35 0.52 0.84
10 resid 14 ha resid 4 hd# 3.19 0.47 0.79
10 resid 14 ha resid 4 hn 3.41 0.56 0.46
10 resid 3 hd# resid 13 hn 3.6 0.6 0.92
9 resid 12 hb2 resid 3 hd# 2.75 0.33 0.69
9 resid 12 hg2 resid 3 he# 3.01 0.42 0.75
9 resid 12 hg1 resid 3 he# 3.34 0.52 0.83
9 resid 12 hg2 resid 3 hd# 3.62 0.61 0.93
9 resid 12 hg1 resid 3 hd# 4.03 0.74 1.1
9 resid 4 hn resid 13 hn 3.15 0.48 0.38
9 resid 4 hb1 resid 13 hn 4.18 0.81 0.82
8 resid 5 ha resid 13 hn 3.7 0.65 0.58
7 resid 12 hb2 resid 5 hd# 2.62 0.29 0.67
7 resid 12 ha resid 5 hd# 2.75 0.33 0.69
7 resid 12 hb2 resid 5 he# 4.17 0.78 1.16
7 resid 12 hg1 resid 5 he# 4.46 0.87 1.34
7 resid 17 ha resid 24 hd1 4 1.2 1.5
7 resid 17 hb1 resid 24 hd1 4.5 1.2 1.5
7 resid 17 hb2 resid 24 he1 3.48 0.58 0.69
7 resid 5 ha resid 12 ha 3.04 0.45 0.36
6 resid 12 ha resid 6 hn 3.53 0.6 0.51
6 resid 18 hb2 resid 12 hn 3.43 0.57 0.47
5 resid 10 ha1 resid 5 he# 3.13 0.45 0.78
5 resid 10 ha1 resid 5 hz 3.19 0.49 0.6
5 resid 10 ha2 resid 5 hz 3.52 0.6 0.7
5 resid 10 ha2 resid 5 he# 3.62 0.61 0.93
5 resid 11 hn resid 6 hn 2.9 0.7 0.62
4 resid 6 hb1 resid 10 hn 3.51 0.59 0.5
4 resid 17 ha resid 13 he2* 3.13 0.48 0.38
4 resid 17 ha resid 13 he2* 2.64 0.32 0.27
4 resid 17 hd1 resid 13 he2* 3.75 0.67 0.6
3 resid 17 hd1 resid 20 hn 3.83 0.7 0.63
3 resid 21 ha resid 24 hd1 2.66 0.33 0.47
3 resid 21 hb resid 24 hd1 3.06 0.45 0.56
3 resid 21 hb resid 24 he1 3.19 0.49 0.6
3 resid 21 ha resid 24 he1 3.37 0.55 0.65
3 resid 24 hd1 resid 21 hn 3.62 0.63 0.74
3 resid 6 hb1 resid 9 hn 3.8 0.69 0.62
3 resid 7 ha resid 10 hn 3.41 0.56 0.46
3 resid 21 hg2# resid 24 hd1 2.72 0.35 0.28
3 resid 21 hg2# resid 24 he1 2.67 0.33 0.27
2 resid 11 hn resid 9 hn 3.49 0.59 0.49
2 resid 13 hb1 resid 15 hn 3.14 0.48 0.38
2 resid 13 ha resid 15 hn 3.41 0.56 0.46
2 resid 13 hg1 resid 15 hn 3.61 0.63 0.54
2 resid 13 hg2 resid 15 hn 3.66 0.64 0.56
2 resid 22 ha resid 24 hn 3.01 0.44 0.35
2 resid 7 ha resid 5 he# 2.43 0.23 0.64
2 resid 7 ha resid 5 hz 2.97 0.42 0.54
2 resid 7 ha resid 5 hd# 3.21 0.48 0.8
2 resid 7 hb2 resid 5 he# 3.34 0.52 0.84
2 resid 8 hn resid 10 hn 3.15 0.48 0.39
2 resid 9 hb resid 11 hn 3.56 0.61 0.52
2 resid 9 hg1 resid 11 hn 3.76 0.67 0.6
2 resid 9 ha resid 11 hn 3.98 0.74 0.71
2 resid 13 he2* resid 15 hn 3.83 0.7 0.64
2 resid 15 hb2 resid 13 he2* 3.25 0.51 0.41
2 resid 15 hb2 resid 13 he2* 3.9 0.72 0.67
2 resid 9 hg2# resid 11 hn 3.84 0.7 0.64
1 resid 10 ha1 resid 11 hn 3.28 0.52 0.42
1 resid 10 ha2 resid 11 hn 4.03 0.76 0.73
1 resid 10 ha1 resid 9 hn 4.06 0.77 0.75
1 resid 11 hn resid 10 hn 2.58 0.3 0.25
1 resid 11 ha resid 12 hn 2.14 0.16 0.18
1 resid 11 hb2 resid 12 hn 4 0.95 0.92
1 resid 12 ha resid 13 hn 2.24 0.19 0.2
1 resid 12 hb2 resid 13 hn 2.84 0.38 0.31
1 resid 12 hn resid 13 hn 3.96 0.74 0.7
1 resid 13 ha resid 14 hn 2.22 0.19 0.19
1 resid 13 hb1 resid 14 hn 2.97 0.42 0.34
1 resid 13 hg2 resid 14 hn 3.6 0.62 0.53
1 resid 13 hg1 resid 14 hn 4.13 0.79 0.79
1 resid 14 hb1 resid 15 hn 3.13 0.47 0.38
1 resid 14 hb2 resid 15 hn 3.38 0.55 0.45
1 resid 14 ha resid 15 hn 3.45 0.58 0.48
1 resid 14 hd# resid 15 hn 4.27 0.81 1.22
1 resid 15 hn resid 14 hn 2.55 0.29 0.25
1 resid 15 ha resid 16 hn 1.92 0.19 0.26
1 resid 15 hb1 resid 16 hn 2.78 0.36 0.29
1 resid 15 hb2 resid 16 hn 2.87 0.39 0.31
1 resid 15 hn resid 16 hn 3.68 0.65 0.57
1 resid 16 ha resid 17 hd1 2.36 0.23 0.22
1 resid 16 ha resid 17 hd2 2.53 0.28 0.24
1 resid 17 ha resid 18 hn 2.1 0.15 0.18
1 resid 17 hb1 resid 18 hn 3.29 0.52 0.43
1 resid 17 hb2 resid 18 hn 3.35 0.55 0.45
1 resid 18 ha resid 19 hn 2.42 0.25 0.23
1 resid 18 hb2 resid 19 hn 3.52 0.8 0.71
1 resid 1 ha resid 2 hn 2.23 0.19 0.2
1 resid 1 hg2 resid 2 hn 3.09 0.46 0.37
1 resid 1 ha resid 2 hd1 3.55 0.61 0.71
1 resid 1 hb2 resid 2 hn 3.62 0.63 0.54
1 resid 1 hg1 resid 2 hn 3.64 0.64 0.55
1 resid 20 hb2 resid 19 hn 3.53 0.6 0.51
1 resid 20 ha resid 21 hn 2.28 0.21 0.2
1 resid 20 hb2 resid 21 hn 3.74 0.67 0.59
1 resid 20 hd2# resid 21 hn 4.72 0.87 0.82
1 resid 21 hn resid 20 hn 3.41 0.56 0.46
1 resid 21 ha resid 22 hn 2.09 0.15 0.18
1 resid 21 hb resid 22 hn 2.96 0.42 0.33
1 resid 21 hn resid 22 hn 3.07 0.96 0.86
1 resid 22 ha resid 23 hn 2.39 0.24 0.22
1 resid 22 hb2 resid 23 hn 3.2 0.5 0.4
1 resid 22 hn resid 23 hn 3.85 0.7 0.64
1 resid 23 ha2 resid 24 hn 3.28 0.52 0.42
1 resid 23 ha1 resid 24 hn 3.46 0.58 0.48
1 resid 24 hn resid 23 hn 2.9 0.4 0.32
1 resid 24 ha resid 25 hn 2.25 0.19 0.2
1 resid 24 he3 resid 25 hn 3.03 0.44 0.55
1 resid 24 hb1 resid 25 hn 3.32 0.54 0.44
1 resid 24 hb2 resid 25 hn 3.81 0.69 0.62
1 resid 25 ha resid 26 hn 2.09 0.15 0.18
1 resid 25 hb1 resid 26 hn 3.42 0.57 0.47
1 resid 25 hg1 resid 26 hn 3.67 0.65 0.56
1 resid 26 ha resid 27 hn 2.15 0.16 0.18
1 resid 26 hg2 resid 27 hn 3.76 0.67 0.6
1 resid 26 hg1 resid 27 hn 3.83 0.7 0.63
1 resid 27 ha resid 28 hn 2.26 0.2 0.2
1 resid 27 hb2 resid 28 hn 2.95 0.42 0.33
1 resid 27 hg2 resid 28 hn 3.47 0.58 0.48
1 resid 27 hb1 resid 28 hn 3.66 0.64 0.56
1 resid 27 hg1 resid 28 hn 3.77 0.68 0.6
1 resid 28 ha resid 29 hn 2.18 0.17 0.19
1 resid 28 hb2 resid 29 hn 3.71 0.66 0.58
1 resid 28 hb1 resid 29 hn 3.87 0.71 0.65
1 resid 2 ha resid 3 hn 2.23 0.19 0.2
1 resid 2 he3 resid 3 hn 3.16 0.48 0.59
1 resid 2 hb1 resid 3 hn 3.17 0.49 0.39
1 resid 2 hb2 resid 3 hn 3.38 0.55 0.46
1 resid 3 hb2 resid 4 hn 2.63 0.32 0.26
1 resid 3 hb1 resid 4 hn 3.18 0.49 0.39
1 resid 3 hb1 resid 4 hd# 3.28 0.5 0.82
1 resid 3 hd# resid 4 hn 3.29 0.5 0.82
1 resid 3 hb1 resid 4 he# 3.68 0.63 0.95
1 resid 3 ha resid 4 hn 2.5 0.7 1.5
1 resid 4 ha resid 5 hn 2.32 0.22 0.21
1 resid 4 hb2 resid 5 hn 3.46 0.58 0.48
1 resid 4 hd# resid 5 hn 3.81 0.67 1
1 resid 4 hb1 resid 5 hn 3.97 0.74 0.7
1 resid 5 ha resid 6 hn 2.27 0.2 0.2
1 resid 5 hd# resid 6 hn 2.74 0.33 0.69
1 resid 5 hb2 resid 6 hn 4.16 0.8 0.8
1 resid 6 ha resid 7 hn 2.08 0.14 0.18
1 resid 7 hb1 resid 8 hn 3.32 0.53 0.44
1 resid 8 hn resid 7 hn 2.62 0.31 0.26
1 resid 8 hb resid 9 hn 2.61 0.31 0.26
1 resid 8 ha resid 9 hn 3.38 0.55 0.46
1 resid 8 hg2# resid 9 hn 3.73 0.56 0.45
1 resid 8 hg12 resid 9 hn 4.2 0.81 0.83
1 resid 9 hn resid 10 hn 2.35 0.23 0.21
1 resid 9 ha resid 10 hn 2.88 0.39 0.31
1 resid 9 hb resid 10 hn 3.51 0.6 0.5
1 resid 9 hn resid 8 hn 2.51 0.28 0.24
1 resid 9 ha resid 8 hg2# 3.9 0.61 0.5
1 resid 21 hg2# resid 20 hn 3.69 0.65 0.57
1 resid 21 hg2# resid 22 hn 2.76 0.36 0.29
1 resid 9 hg2# resid 10 hn 3.34 0.54 0.44
1 resid 9 hg2# resid 8 hb 3.42 0.57 0.47
1 resid 9 hg2# resid 8 hn 3.6 0.62 0.53
1 resid 9 hg2# resid 8 hg2# 2.18 0.17 0.19
0 resid 10 ha1 resid 10 hn 2.39 0.24 0.22
0 resid 10 ha2 resid 10 hn 2.84 0.38 0.31
0 resid 11 hb2 resid 11 hn 2.65 0.52 0.47
0 resid 11 hb1 resid 11 hn 2.89 0.6 0.52
0 resid 11 ha resid 11 hn 2.91 0.41 0.32
0 resid 11 hg2 resid 11 hn 2.91 0.6 0.52
0 resid 11 ha resid 11 hb1 3.02 0.64 0.55
0 resid 11 hg1 resid 11 hn 3.05 0.65 0.56
0 resid 11 ha resid 11 hd2 3.13 0.68 0.58
0 resid 11 ha resid 11 hg1 3.5 0.79 0.7
0 resid 11 hd2 resid 11 hn 3.51 0.79 0.7
0 resid 11 ha resid 11 hg2 3.59 0.82 0.73
0 resid 12 hb1 resid 12 hn 2.89 0.4 0.32
0 resid 12 hb2 resid 12 ha 3.02 0.44 0.35
0 resid 12 hb2 resid 12 hn 3.07 0.46 0.36
0 resid 12 ha resid 12 hn 3.15 0.48 0.38
0 resid 12 hg2 resid 12 hn 3.19 0.49 0.4
0 resid 12 hd1 resid 12 he 3.31 0.53 0.43
0 resid 12 hd2 resid 12 he 3.34 0.54 0.44
0 resid 12 hg1 resid 12 hn 3.57 0.61 0.52
0 resid 12 hb2 resid 12 he 3.64 0.64 0.55
0 resid 12 hg1 resid 12 he 3.69 0.65 0.57
0 resid 13 ha resid 13 hn 2.77 0.36 0.29
0 resid 13 hb2 resid 13 hn 3.01 0.44 0.35
0 resid 13 hb1 resid 13 hn 3.3 0.53 0.43
0 resid 13 hg1 resid 13 hn 3.38 0.55 0.46
0 resid 13 hg2 resid 13 hn 3.76 0.67 0.6
0 resid 14 hd# resid 14 he# 1.97 0.07 1.02
0 resid 14 ha resid 14 hd# 2.39 0.22 0.63
0 resid 14 hb1 resid 14 hd# 2.55 0.27 0.66
0 resid 14 hb2 resid 14 hd# 2.61 0.29 0.67
0 resid 14 hd# resid 14 hz 2.74 0.33 0.9
0 resid 14 hb1 resid 14 hn 2.78 0.36 0.29
0 resid 14 ha resid 14 hn 2.85 0.38 0.31
0 resid 14 ha resid 14 hb1 3.03 0.44 0.35
0 resid 14 hb2 resid 14 hn 3.09 0.46 0.37
0 resid 14 hd# resid 14 hn 3.19 0.47 0.79
0 resid 14 ha resid 14 hb2 3.32 0.54 0.44
0 resid 14 ha resid 14 he# 3.4 0.54 0.85
0 resid 14 hb2 resid 14 he# 4.06 0.75 1.11
0 resid 15 ha resid 15 hb2 2.45 0.26 0.23
0 resid 15 hb1 resid 15 hn 2.47 0.27 0.23
0 resid 15 hb2 resid 15 hn 2.51 0.28 0.24
0 resid 15 ha resid 15 hn 2.6 0.31 0.26
0 resid 15 hg1 resid 15 hn 3.45 0.58 0.48
0 resid 15 hg2 resid 15 hn 3.48 0.59 0.49
0 resid 16 hb2 resid 16 hn 2.19 0.18 0.19
0 resid 16 hb1 resid 16 hn 2.23 0.19 0.2
0 resid 16 ha resid 16 hn 2.78 0.36 0.29
0 resid 16 hg2 resid 16 hn 3.51 0.6 0.5
0 resid 16 ha resid 16 hg2 3.59 0.62 0.53
0 resid 17 ha resid 17 hb1 2.58 0.3 0.25
0 resid 17 ha resid 17 hb2 2.87 0.39 0.31
0 resid 18 he2 resid 18 hd2 2.64 0.52 0.47
0 resid 18 hb1 resid 18 hn 2.76 0.56 0.49
0 resid 18 ha resid 18 hn 2.78 0.56 0.49
0 resid 18 ha resid 18 hb2 3.06 0.65 0.56
0 resid 18 hb2 resid 18 hn 3.18 0.69 0.59
0 resid 18 ha resid 18 hb1 3.35 0.74 0.64
0 resid 18 hg2 resid 18 hn 3.5 0.59 0.5
0 resid 18 ha resid 18 hg2 3.77 0.88 0.81
0 resid 18 hg1 resid 18 hn 3.92 0.93 0.88
0 resid 18 ha resid 18 hg1 4.59 1.14 1.31
0 resid 1 ha resid 1 hg2 2.95 0.42 0.33
0 resid 1 ha resid 1 hg1 3.37 0.55 0.45
0 resid 1 ha resid 1 hb2 3.45 0.58 0.48
0 resid 20 ha resid 20 hb2 2.53 0.28 0.24
0 resid 20 hb2 resid 20 hn 2.65 0.32 0.27
0 resid 20 ha resid 20 hn 3.05 0.65 0.56
0 resid 20 ha resid 20 hd2# 3.1 0.36 0.3
0 resid 20 hg resid 20 hn 3.16 0.48 0.39
0 resid 20 ha resid 20 hg 3.23 0.51 0.41
0 resid 20 ha resid 20 hd1# 3.78 0.58 0.46
0 resid 20 hd1# resid 20 hn 4.51 0.81 0.72
0 resid 20 hd2# resid 20 hn 4.84 0.91 0.88
0 resid 21 ha resid 21 hn 2.65 0.32 0.27
0 resid 21 ha resid 21 hb 2.85 0.39 0.31
0 resid 21 hb resid 21 hn 2.89 0.4 0.32
0 resid 22 hb2 resid 22 hn 2.36 0.5 0.5
0 resid 22 hb2 resid 22 hn 2.36 0.5 0.5
0 resid 22 ha resid 22 hn 2.4 0.54 0.52
0 resid 22 hd2 resid 22 hn 3.64 0.64 0.55
0 resid 22 hg1 resid 22 hn 3.65 0.64 0.56
0 resid 22 hg2 resid 22 hn 3.77 0.68 0.6
0 resid 23 ha1 resid 23 hn 2.95 0.42 0.33
0 resid 23 ha2 resid 23 hn 3.26 0.52 0.42
0 resid 24 hb2 resid 24 hn 2.48 0.27 0.24
0 resid 24 hb1 resid 24 he3 2.69 0.34 0.48
0 resid 24 hb2 resid 24 hd1 2.7 0.34 0.48
0 resid 24 hd1 resid 24 hn 2.83 0.38 0.5
0 resid 24 ha resid 24 he3 2.85 0.39 0.51
0 resid 24 hb1 resid 24 hn 2.94 0.41 0.33
0 resid 24 hb1 resid 24 hd1 2.97 0.42 0.54
0 resid 24 ha resid 24 hn 2.98 0.43 0.34
0 resid 24 hb2 resid 24 he3 3.55 0.61 0.72
0 resid 25 ha resid 25 hn 2.99 0.43 0.34
0 resid 25 hb2 resid 25 hn 3.49 0.59 0.49
0 resid 25 hb1 resid 25 hn 3.78 0.68 0.61
0 resid 25 hg1 resid 25 hn 4.29 0.84 0.89
0 resid 26 hb1 resid 26 hn 2.85 0.39 0.31
0 resid 26 hb2 resid 26 hn 2.89 0.4 0.32
0 resid 26 ha resid 26 hn 2.98 0.43 0.34
0 resid 26 ha resid 26 hb2 3.41 0.56 0.46
0 resid 26 ha resid 26 hb1 3.59 0.62 0.53
0 resid 26 he1 resid 26 hd1 3.62 0.63 0.54
0 resid 26 ha resid 26 hg1 3.72 0.66 0.59
0 resid 26 he2 resid 26 hd2 3.94 0.73 0.69
0 resid 26 hg1 resid 26 hn 3.94 0.73 0.68
0 resid 26 ha resid 26 hg2 4.45 0.89 1
0 resid 27 hb1 resid 27 hg1 2.72 0.34 0.28
0 resid 27 hb1 resid 27 hg2 2.85 0.39 0.31
0 resid 27 ha resid 27 hb2 2.86 0.39 0.31
0 resid 27 ha resid 27 hn 2.96 0.42 0.33
0 resid 27 ha resid 27 hg2 3.06 0.45 0.36
0 resid 27 ha resid 27 hg1 3.14 0.48 0.38
0 resid 27 hg2 resid 27 he 3.16 0.48 0.39
0 resid 27 hd1 resid 27 he 3.2 0.5 0.4
0 resid 27 hg1 resid 27 he 3.22 0.5 0.41
0 resid 27 hb1 resid 27 hn 3.3 0.53 0.43
0 resid 27 hb2 resid 27 hn 3.33 0.54 0.44
0 resid 27 hd2 resid 27 hb1 3.74 0.67 0.59
0 resid 27 hd1 resid 27 hb1 3.77 0.68 0.61
0 resid 27 ha resid 27 hb1 3.82 0.69 0.63
0 resid 27 hg1 resid 27 hn 4.01 0.75 0.72
0 resid 28 he1 resid 28 hd1 1.93 0.1 0.56
0 resid 28 hz3 resid 28 hh2 2.12 0.15 0.58
0 resid 28 hb1 resid 28 hd1 2.45 0.26 0.43
0 resid 28 he3 resid 28 hz3 2.52 0.28 0.64
0 resid 28 hb1 resid 28 hn 2.71 0.34 0.28
0 resid 28 hb2 resid 28 hd1 2.81 0.37 0.5
0 resid 28 hb2 resid 28 hn 2.91 0.4 0.32
0 resid 28 ha resid 28 hn 3.01 0.44 0.35
0 resid 28 he3 resid 28 hh2 3.43 0.57 0.87
0 resid 28 hb1 resid 28 he1 4.06 0.77 0.95
0 resid 29 ha resid 29 hn 2.89 0.4 0.32
0 resid 29 hb2 resid 29 hn 3.43 0.57 0.47
0 resid 29 hb1 resid 29 hn 3.49 0.59 0.49
0 resid 2 hz3 resid 2 hh2 1.97 0.11 0.56
0 resid 2 he1 resid 2 hd1 2.01 0.12 0.57
0 resid 2 hh2 resid 2 hz2 2.13 0.16 0.58
0 resid 2 hb2 resid 2 hd1 2.57 0.3 0.45
0 resid 2 hz3 resid 2 he3 2.64 0.32 0.67
0 resid 2 ha resid 2 he3 2.68 0.33 0.47
0 resid 2 hb2 resid 2 hn 2.81 0.37 0.3
0 resid 2 hb1 resid 2 hd1 2.9 0.4 0.52
0 resid 2 hb1 resid 2 he3 3.08 0.46 0.56
0 resid 2 hd1 resid 2 hn 3.11 0.47 0.57
0 resid 2 hb1 resid 2 hn 3.13 0.47 0.38
0 resid 2 ha resid 2 hn 3.19 0.49 0.4
0 resid 2 hb2 resid 2 he3 3.33 0.54 0.64
0 resid 2 he3 resid 2 hh2 3.45 0.58 0.88
0 resid 3 he# resid 3 hz 1.87 0.06 0.77
0 resid 3 he# resid 3 hd# 1.95 0.06 1.02
0 resid 3 hb2 resid 3 hd# 2.49 0.25 0.65
0 resid 3 hb1 resid 3 hd# 2.49 0.25 0.65
0 resid 3 hd# resid 3 hn 3 0.41 0.75
0 resid 3 ha resid 3 hd# 3.1 0.44 0.77
0 resid 3 ha resid 3 hn 3.15 0.48 0.38
0 resid 3 he# resid 3 hn 4.01 0.73 1.09
0 resid 3 hb1 resid 3 hn 4.16 0.8 0.81
0 resid 4 hb2 resid 4 hd# 2.62 0.29 0.67
0 resid 4 hb1 resid 4 hd# 2.7 0.32 0.68
0 resid 4 hb1 resid 4 hn 2.74 0.35 0.28
0 resid 4 hd# resid 4 hn 2.83 0.36 0.71
0 resid 4 ha resid 4 hd# 3.04 0.42 0.75
0 resid 4 hb2 resid 4 he# 3.35 0.52 0.84
0 resid 4 hb2 resid 4 hn 3.37 0.55 0.45
0 resid 4 ha resid 4 hn 3.62 0.63 0.54
0 resid 4 hb1 resid 4 he# 3.78 0.66 0.98
0 resid 5 hd# resid 5 he# 1.95 0.06 1.02
0 resid 5 hb2 resid 5 hd# 2.33 0.2 0.62
0 resid 5 hb1 resid 5 hd# 2.46 0.24 0.64
0 resid 5 ha resid 5 hd# 2.57 0.28 0.66
0 resid 5 hd# resid 5 hz 2.66 0.3 0.88
0 resid 5 hb1 resid 5 hn 2.89 0.4 0.32
0 resid 5 hb2 resid 5 hn 3.21 0.5 0.4
0 resid 5 ha resid 5 hn 3.25 0.51 0.41
0 resid 5 hd# resid 5 hn 3.78 0.66 0.99
0 resid 6 ha resid 6 hn 2.44 0.46 0.43
0 resid 6 hb2 resid 6 hn 2.78 0.36 0.29
0 resid 6 hb1 resid 6 hn 2.94 0.41 0.33
0 resid 6 hd21 resid 6 hb2 3.2 0.5 0.4
0 resid 6 ha resid 6 hb2 3.24 0.51 0.41
0 resid 6 hb2 resid 6 hd22 3.33 0.54 0.44
0 resid 6 ha resid 6 hb1 3.59 0.62 0.53
0 resid 6 hd21 resid 6 hb1 3.74 0.67 0.59
0 resid 7 hb1 resid 7 hn 2.33 0.22 0.21
0 resid 7 ha resid 7 hb1 2.5 0.27 0.24
0 resid 7 ha resid 7 hb2 2.5 0.27 0.24
0 resid 7 ha resid 7 hn 2.66 0.33 0.27
0 resid 7 hg1 resid 7 hn 3 0.43 0.35
0 resid 7 hg2 resid 7 hn 3.06 0.45 0.36
0 resid 7 ha resid 7 hg2 3.2 0.5 0.4
0 resid 7 hd1 resid 7 hb1 3.3 0.53 0.43
0 resid 7 hd1 resid 7 hg1 3.33 0.54 0.44
0 resid 7 ha resid 7 hg1 3.46 0.58 0.48
0 resid 7 hd2 resid 7 he 3.47 0.58 0.49
0 resid 7 hd1 resid 7 he 3.78 0.68 0.61
0 resid 7 hd2 resid 7 hg2 3.83 0.7 0.63
0 resid 7 hb1 resid 7 he 3.86 0.71 0.65
0 resid 8 hb resid 8 hn 2.47 0.26 0.23
0 resid 8 ha resid 8 hn 2.8 0.37 0.3
0 resid 8 ha resid 8 hg2# 2.83 0.28 0.26
0 resid 8 hg12 resid 8 hn 3.02 0.44 0.35
0 resid 8 hg11 resid 8 hn 3.23 0.51 0.41
0 resid 8 ha resid 8 hg12 3.33 0.54 0.44
0 resid 8 ha resid 8 hd1# 3.41 0.46 0.37
0 resid 8 ha resid 8 hb 3.69 0.65 0.57
0 resid 8 hg2# resid 8 hn 3.86 0.6 0.48
0 resid 8 hd1# resid 8 hn 4.06 0.67 0.55
0 resid 9 ha resid 9 hn 3.28 0.52 0.42
0 resid 9 hb resid 9 hn 3.75 0.67 0.6
0 resid 9 hg1 resid 9 hn 4.2 0.81 0.83
0 resid 13 hb2 resid 13 he2* 3.13 0.48 0.38
0 resid 13 hg1 resid 13 he2* 2.71 0.34 0.28
0 resid 13 hg1 resid 13 he2* 3.34 0.54 0.44
0 resid 13 hg2 resid 13 he2* 3.39 0.56 0.46
0 resid 21 hg2# resid 21 hn 2.39 0.24 0.22
0 resid 21 ha resid 21 hg2# 2.3 0.21 0.21
0 resid 9 hg2# resid 9 hn 2.49 0.27 0.24
0 resid 9 ha resid 9 hg2# 2.13 0.16 0.18
0 resid 9 hb resid 9 hg2# 2.1 0.15 0.18

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H1       ARG   1  -2.030   4.142  11.710
    2    H2   ARG   1           H2       ARG   1  -3.375   5.161  11.398
    3    H3   ARG   1           H3       ARG   1  -2.037   5.754  12.294
    4    HA   ARG   1           HA       ARG   1  -1.910   6.632  10.148
    5    HB2  ARG   1           HB2      ARG   1   0.037   4.944  11.356
    6    HB3  ARG   1           HB3      ARG   1   0.107   4.624   9.632
    7    HG2  ARG   1           HG2      ARG   1   0.366   7.114   9.296
    8    HG3  ARG   1           HG3      ARG   1   0.587   7.240  11.046
    9    HD2  ARG   1           HD2      ARG   1   2.220   5.297   9.471
   10    HD3  ARG   1           HD3      ARG   1   2.645   7.008   9.462
   11    HE   ARG   1           HE       ARG   1   2.268   5.877  12.091
   12   HH11  ARG   1          HH11      ARG   1   4.568   6.519   9.529
   13   HH12  ARG   1          HH12      ARG   1   5.940   6.471  10.583
   14   HH21  ARG   1          HH21      ARG   1   4.079   5.813  13.472
   15   HH22  ARG   1          HH22      ARG   1   5.663   6.069  12.821
   16    H    TRP   2           H        TRP   2  -1.660   6.304   7.851
   17    HA   TRP   2           HA       TRP   2  -3.492   4.295   6.839
   18    HB2  TRP   2           HB2      TRP   2  -2.039   6.580   5.506
   19    HB3  TRP   2           HB3      TRP   2  -3.119   5.523   4.683
   20    HD1  TRP   2           HD1      TRP   2  -3.053   8.371   7.067
   21    HE1  TRP   2           HE1      TRP   2  -5.429   9.345   7.336
   22    HE3  TRP   2           HE3      TRP   2  -5.584   4.828   4.514
   23    HZ2  TRP   2           HZ2      TRP   2  -8.060   8.658   6.521
   24    HZ3  TRP   2           HZ3      TRP   2  -8.026   5.031   4.270
   25    HH2  TRP   2           HH2      TRP   2  -9.240   6.909   5.257
   26    H    PHE   3           H        PHE   3  -2.973   2.825   5.141
   27    HA   PHE   3           HA       PHE   3  -0.128   2.472   4.612
   28    HB2  PHE   3           HB2      PHE   3  -0.232   0.042   4.846
   29    HB3  PHE   3           HB3      PHE   3  -0.535   0.876   6.328
   30    HD1  PHE   3           HD1      PHE   3  -3.097   1.035   6.995
   31    HD2  PHE   3           HD2      PHE   3  -1.475  -1.641   4.108
   32    HE1  PHE   3           HE1      PHE   3  -5.036  -0.452   7.270
   33    HE2  PHE   3           HE2      PHE   3  -3.398  -3.128   4.373
   34    HZ   PHE   3           HZ       PHE   3  -5.199  -2.531   5.957
   35    H    TYR   4           H        TYR   4  -0.028   0.465   2.876
   36    HA   TYR   4           HA       TYR   4  -1.891   1.222   0.771
   37    HB2  TYR   4           HB2      TYR   4   1.045   0.739   0.376
   38    HB3  TYR   4           HB3      TYR   4  -0.088   1.572  -0.628
   39    HD1  TYR   4           HD1      TYR   4   1.629   1.797   2.634
   40    HD2  TYR   4           HD2      TYR   4  -0.335   3.910  -0.490
   41    HE1  TYR   4           HE1      TYR   4   2.263   3.865   3.681
   42    HE2  TYR   4           HE2      TYR   4   0.305   6.037   0.566
   43    HH   TYR   4           HH       TYR   4   2.549   6.556   2.462
   44    H    PHE   5           H        PHE   5  -2.703  -0.405  -0.338
   45    HA   PHE   5           HA       PHE   5  -1.445  -3.047  -0.068
   46    HB2  PHE   5           HB2      PHE   5  -3.615  -2.894   1.076
   47    HB3  PHE   5           HB3      PHE   5  -4.386  -2.438  -0.417
   48    HD1  PHE   5           HD2      PHE   5  -1.981  -5.140   0.569
   49    HD2  PHE   5           HD1      PHE   5  -5.632  -4.093  -1.349
   50    HE1  PHE   5           HE2      PHE   5  -2.342  -7.485  -0.034
   51    HE2  PHE   5           HE1      PHE   5  -5.984  -6.430  -1.970
   52    HZ   PHE   5           HZ       PHE   5  -4.338  -8.115  -1.321
   53    H    ASN   6           H        ASN   6  -0.818  -3.994  -1.908
   54    HA   ASN   6           HA       ASN   6  -1.775  -2.801  -4.414
   55    HB2  ASN   6           HB2      ASN   6   0.699  -2.862  -4.064
   56    HB3  ASN   6           HB3      ASN   6   0.630  -4.589  -3.858
   57   HD21  ASN   6          HD21      ASN   6  -0.709  -2.212  -6.170
   58   HD22  ASN   6          HD22      ASN   6  -0.227  -3.049  -7.597
   59    H    ARG   7           H        ARG   7  -3.457  -3.790  -5.185
   60    HA   ARG   7           HA       ARG   7  -4.269  -6.401  -4.494
   61    HB2  ARG   7           HB2      ARG   7  -6.182  -5.958  -5.722
   62    HB3  ARG   7           HB3      ARG   7  -5.623  -4.365  -5.231
   63    HG2  ARG   7           HG2      ARG   7  -4.854  -3.827  -7.310
   64    HG3  ARG   7           HG3      ARG   7  -4.810  -5.494  -7.850
   65    HD2  ARG   7           HD2      ARG   7  -7.296  -5.571  -7.767
   66    HD3  ARG   7           HD3      ARG   7  -7.302  -3.851  -7.318
   67    HE   ARG   7           HE       ARG   7  -5.832  -4.333  -9.775
   68   HH11  ARG   7          HH11      ARG   7  -9.064  -3.914  -8.446
   69   HH12  ARG   7          HH12      ARG   7  -9.732  -3.345  -9.938
   70   HH21  ARG   7          HH21      ARG   7  -6.731  -3.583 -11.724
   71   HH22  ARG   7          HH22      ARG   7  -8.408  -3.157 -11.799
   72    H    ILE   8           H        ILE   8  -2.259  -5.198  -7.026
   73    HA   ILE   8           HA       ILE   8  -2.665  -7.338  -8.879
   74    HB   ILE   8           HB       ILE   8  -0.404  -5.333  -8.629
   75   HG12  ILE   8          HG12      ILE   8  -2.947  -4.743  -9.401
   76   HG13  ILE   8          HG13      ILE   8  -1.523  -3.898  -9.972
   77   HG21  ILE   8          HG21      ILE   8   0.273  -5.966 -10.894
   78   HG22  ILE   8          HG22      ILE   8  -0.922  -7.261 -10.885
   79   HG23  ILE   8          HG23      ILE   8   0.430  -7.300  -9.753
   80   HD11  ILE   8          HD11      ILE   8  -1.889  -6.095 -11.698
   81   HD12  ILE   8          HD12      ILE   8  -2.107  -4.381 -12.036
   82   HD13  ILE   8          HD13      ILE   8  -3.466  -5.342 -11.460
   83    H    THR   9           H        THR   9  -0.067  -6.624  -6.539
   84    HA   THR   9           HA       THR   9   0.977  -9.321  -6.933
   85    HB   THR   9           HB       THR   9   2.976  -8.584  -5.858
   86    HG1  THR   9           HG1      THR   9   3.092  -6.430  -5.024
   87   HG21  THR   9          HG21      THR   9   3.736  -6.924  -7.322
   88   HG22  THR   9          HG22      THR   9   2.116  -6.240  -7.499
   89   HG23  THR   9          HG23      THR   9   2.493  -7.810  -8.209
   90    H    GLY  10           H        GLY  10  -0.788  -7.479  -4.753
   91    HA2  GLY  10           HA2      GLY  10  -2.056  -8.178  -2.942
   92    HA3  GLY  10           HA3      GLY  10  -1.217  -9.695  -3.012
   93    H    LYS  11           H        LYS  11   0.891  -6.993  -2.976
   94    HA   LYS  11           HA       LYS  11   1.674  -7.599  -0.257
   95    HB2  LYS  11           HB2      LYS  11   2.971  -6.127  -2.541
   96    HB3  LYS  11           HB3      LYS  11   3.695  -6.261  -0.952
   97    HG2  LYS  11           HG2      LYS  11   2.893  -8.680  -2.517
   98    HG3  LYS  11           HG3      LYS  11   4.427  -7.869  -2.814
   99    HD2  LYS  11           HD2      LYS  11   3.489  -9.109  -0.239
  100    HD3  LYS  11           HD3      LYS  11   4.780  -9.691  -1.285
  101    HE2  LYS  11           HE2      LYS  11   6.161  -8.551   0.053
  102    HE3  LYS  11           HE3      LYS  11   5.557  -7.112  -0.764
  103    HZ1  LYS  11           HZ1      LYS  11   5.202  -6.568   1.411
  104    HZ2  LYS  11           HZ2      LYS  11   4.894  -8.158   1.894
  105    HZ3  LYS  11           HZ3      LYS  11   3.711  -7.286   1.057
  106    H    ARG  12           H        ARG  12   2.134  -5.838   1.230
  107    HA   ARG  12           HA       ARG  12   1.235  -3.236   0.775
  108    HB2  ARG  12           HB2      ARG  12  -0.561  -3.329   2.390
  109    HB3  ARG  12           HB3      ARG  12  -0.858  -4.341   1.019
  110    HG2  ARG  12           HG2      ARG  12  -0.139  -5.166   3.810
  111    HG3  ARG  12           HG3      ARG  12  -1.652  -5.424   2.971
  112    HD2  ARG  12           HD2      ARG  12  -0.871  -7.459   2.525
  113    HD3  ARG  12           HD3      ARG  12   0.097  -6.661   1.293
  114    HE   ARG  12           HE       ARG  12   1.472  -6.596   3.752
  115   HH11  ARG  12          HH11      ARG  12   0.534  -8.853   1.244
  116   HH12  ARG  12          HH12      ARG  12   1.858  -9.926   1.547
  117   HH21  ARG  12          HH21      ARG  12   3.210  -8.013   4.145
  118   HH22  ARG  12          HH22      ARG  12   3.377  -9.451   3.195
  119    H    GLN  13           H        GLN  13   1.889  -1.816   2.488
  120    HA   GLN  13           HA       GLN  13   2.874  -2.888   4.967
  121    HB2  GLN  13           HB2      GLN  13   4.909  -1.147   4.187
  122    HB3  GLN  13           HB3      GLN  13   5.019  -2.835   4.594
  123    HG2  GLN  13           HG2      GLN  13   5.945  -2.951   2.626
  124    HG3  GLN  13           HG3      GLN  13   4.298  -3.047   2.068
  125   HE21  GLN  13          HE21      GLN  13   3.398  -0.491   2.042
  126   HE22  GLN  13          HE22      GLN  13   4.404   0.500   1.056
  127    H    PHE  14           H        PHE  14   4.142  -0.991   6.040
  128    HA   PHE  14           HA       PHE  14   2.158   1.139   6.290
  129    HB2  PHE  14           HB2      PHE  14   3.749  -0.158   8.217
  130    HB3  PHE  14           HB3      PHE  14   4.431   1.448   8.049
  131    HD1  PHE  14           HD1      PHE  14   1.060  -0.122   8.220
  132    HD2  PHE  14           HD2      PHE  14   3.604   3.012   9.556
  133    HE1  PHE  14           HE1      PHE  14  -0.728   0.703   9.674
  134    HE2  PHE  14           HE2      PHE  14   1.821   3.835  11.017
  135    HZ   PHE  14           HZ       PHE  14  -0.343   2.680  11.074
  136    H    GLU  15           H        GLU  15   4.991   0.524   4.641
  137    HA   GLU  15           HA       GLU  15   5.931   3.261   4.567
  138    HB2  GLU  15           HB2      GLU  15   7.033   0.758   4.253
  139    HB3  GLU  15           HB3      GLU  15   7.033   1.415   2.674
  140    HG2  GLU  15           HG2      GLU  15   7.928   3.357   4.547
  141    HG3  GLU  15           HG3      GLU  15   8.823   1.858   4.762
  142    H    ARG  16           H        ARG  16   6.669   3.712   2.311
  143    HA   ARG  16           HA       ARG  16   4.597   4.520   0.657
  144    HB2  ARG  16           HB2      ARG  16   6.778   5.474   0.460
  145    HB3  ARG  16           HB3      ARG  16   7.529   3.908   0.253
  146    HG2  ARG  16           HG2      ARG  16   6.124   3.769  -1.875
  147    HG3  ARG  16           HG3      ARG  16   6.010   5.523  -1.732
  148    HD2  ARG  16           HD2      ARG  16   8.645   4.086  -1.603
  149    HD3  ARG  16           HD3      ARG  16   7.922   4.539  -3.142
  150    HE   ARG  16           HE       ARG  16   8.220   6.808  -2.597
  151   HH11  ARG  16          HH11      ARG  16   9.500   4.690  -0.110
  152   HH12  ARG  16          HH12      ARG  16  10.474   5.927   0.607
  153   HH21  ARG  16          HH21      ARG  16   9.508   8.425  -1.642
  154   HH22  ARG  16          HH22      ARG  16  10.479   8.043  -0.259
  155    HA   PRO  17           HA       PRO  17   2.949   0.947  -1.346
  156    HB2  PRO  17           HB2      PRO  17   3.757   1.611  -4.013
  157    HB3  PRO  17           HB3      PRO  17   2.160   1.784  -3.291
  158    HG2  PRO  17           HG2      PRO  17   4.271   3.804  -3.663
  159    HG3  PRO  17           HG3      PRO  17   2.526   4.020  -3.500
  160    HD2  PRO  17           HD2      PRO  17   4.235   4.698  -1.542
  161    HD3  PRO  17           HD3      PRO  17   2.652   4.024  -1.210
  162    H    LYS  18           H        LYS  18   3.784  -1.043  -1.583
  163    HA   LYS  18           HA       LYS  18   6.611  -1.429  -1.543
  164    HB2  LYS  18           HB2      LYS  18   4.461  -3.094  -0.907
  165    HB3  LYS  18           HB3      LYS  18   5.108  -3.820  -2.364
  166    HG2  LYS  18           HG2      LYS  18   6.323  -3.541   0.329
  167    HG3  LYS  18           HG3      LYS  18   6.276  -4.930  -0.756
  168    HD2  LYS  18           HD2      LYS  18   7.817  -3.508  -2.271
  169    HD3  LYS  18           HD3      LYS  18   8.099  -2.549  -0.817
  170    HE2  LYS  18           HE2      LYS  18   9.827  -4.113  -0.792
  171    HE3  LYS  18           HE3      LYS  18   8.633  -4.791   0.314
  172    HZ1  LYS  18           HZ1      LYS  18   7.875  -6.260  -1.425
  173    HZ2  LYS  18           HZ2      LYS  18   9.542  -6.451  -1.215
  174    HZ3  LYS  18           HZ3      LYS  18   8.953  -5.573  -2.535
  175    H    GLY  19           H        GLY  19   6.453   0.070  -3.504
  176    HA2  GLY  19           HA2      GLY  19   7.830  -0.678  -5.590
  177    HA3  GLY  19           HA3      GLY  19   6.263  -1.318  -6.043
  178    H    LEU  20           H        LEU  20   5.461   1.547  -4.377
  179    HA   LEU  20           HA       LEU  20   4.645   3.516  -5.223
  180    HB2  LEU  20           HB2      LEU  20   7.425   3.297  -5.754
  181    HB3  LEU  20           HB3      LEU  20   6.714   4.152  -7.099
  182    HG   LEU  20           HG       LEU  20   6.407   5.038  -4.216
  183   HD11  LEU  20          HD11      LEU  20   8.762   5.007  -4.821
  184   HD12  LEU  20          HD12      LEU  20   8.160   6.659  -4.683
  185   HD13  LEU  20          HD13      LEU  20   8.411   5.942  -6.274
  186   HD21  LEU  20          HD21      LEU  20   6.279   7.206  -5.958
  187   HD22  LEU  20          HD22      LEU  20   4.921   6.456  -5.125
  188   HD23  LEU  20          HD23      LEU  20   5.340   5.952  -6.765
  189    H    VAL  21           H        VAL  21   3.424   1.594  -6.383
  190    HA   VAL  21           HA       VAL  21   3.131   2.320  -9.147
  191    HB   VAL  21           HB       VAL  21   2.290  -0.414  -8.589
  192   HG11  VAL  21          HG11      VAL  21   4.088  -0.175 -10.774
  193   HG12  VAL  21          HG12      VAL  21   2.991   1.203 -10.845
  194   HG13  VAL  21          HG13      VAL  21   2.345  -0.438 -10.822
  195   HG21  VAL  21          HG21      VAL  21   5.143  -0.001  -9.077
  196   HG22  VAL  21          HG22      VAL  21   4.293  -1.337  -8.306
  197   HG23  VAL  21          HG23      VAL  21   4.536   0.176  -7.445
  198    H    LYS  22           H        LYS  22   1.182   0.974  -9.937
  199    HA   LYS  22           HA       LYS  22  -1.168   2.246  -8.794
  200    HB2  LYS  22           HB2      LYS  22  -0.753   0.736 -11.392
  201    HB3  LYS  22           HB3      LYS  22  -2.296   1.404 -10.877
  202    HG2  LYS  22           HG2      LYS  22  -1.612   3.104 -12.203
  203    HG3  LYS  22           HG3      LYS  22  -0.843   3.620 -10.702
  204    HD2  LYS  22           HD2      LYS  22   1.124   3.581 -11.738
  205    HD3  LYS  22           HD3      LYS  22   0.949   1.839 -11.951
  206    HE2  LYS  22           HE2      LYS  22   1.165   2.434 -14.134
  207    HE3  LYS  22           HE3      LYS  22  -0.579   2.631 -13.976
  208    HZ1  LYS  22           HZ1      LYS  22   1.446   4.795 -13.760
  209    HZ2  LYS  22           HZ2      LYS  22  -0.222   4.998 -13.564
  210    HZ3  LYS  22           HZ3      LYS  22   0.402   4.535 -15.066
  211    H    GLY  23           H        GLY  23  -3.190   0.770  -8.741
  212    HA2  GLY  23           HA2      GLY  23  -4.116  -1.466  -8.233
  213    HA3  GLY  23           HA3      GLY  23  -2.468  -2.039  -8.063
  214    H    TRP  24           H        TRP  24  -1.528   0.090  -6.477
  215    HA   TRP  24           HA       TRP  24  -1.883  -0.795  -3.916
  216    HB2  TRP  24           HB2      TRP  24  -0.838   1.751  -5.149
  217    HB3  TRP  24           HB3      TRP  24  -0.716   1.422  -3.440
  218    HD1  TRP  24           HD1      TRP  24   1.074   0.788  -6.613
  219    HE1  TRP  24           HE1      TRP  24   2.978  -0.838  -6.223
  220    HE3  TRP  24           HE3      TRP  24  -0.197  -0.829  -1.962
  221    HZ2  TRP  24           HZ2      TRP  24   3.812  -2.674  -4.282
  222    HZ3  TRP  24           HZ3      TRP  24   1.166  -2.634  -0.976
  223    HH2  TRP  24           HH2      TRP  24   3.143  -3.471  -2.067
  224    H    GLU  25           H        GLU  25  -3.188  -0.182  -2.204
  225    HA   GLU  25           HA       GLU  25  -5.096   2.013  -2.718
  226    HB2  GLU  25           HB2      GLU  25  -5.969  -0.510  -2.815
  227    HB3  GLU  25           HB3      GLU  25  -6.014  -0.291  -1.069
  228    HG2  GLU  25           HG2      GLU  25  -7.212   1.992  -1.955
  229    HG3  GLU  25           HG3      GLU  25  -7.750   0.803  -3.137
  230    H    LYS  26           H        LYS  26  -5.086   3.515  -1.210
  231    HA   LYS  26           HA       LYS  26  -3.603   3.009   1.227
  232    HB2  LYS  26           HB2      LYS  26  -3.196   5.236   0.104
  233    HB3  LYS  26           HB3      LYS  26  -4.919   5.543   0.092
  234    HG2  LYS  26           HG2      LYS  26  -4.989   6.015   2.403
  235    HG3  LYS  26           HG3      LYS  26  -3.368   5.378   2.681
  236    HD2  LYS  26           HD2      LYS  26  -4.032   7.794   0.992
  237    HD3  LYS  26           HD3      LYS  26  -3.417   7.826   2.652
  238    HE2  LYS  26           HE2      LYS  26  -1.385   6.577   1.892
  239    HE3  LYS  26           HE3      LYS  26  -1.987   6.719   0.234
  240    HZ1  LYS  26           HZ1      LYS  26  -1.885   9.125   0.436
  241    HZ2  LYS  26           HZ2      LYS  26  -0.371   8.436   0.738
  242    HZ3  LYS  26           HZ3      LYS  26  -1.317   8.992   2.025
  243    H    ARG  27           H        ARG  27  -4.579   2.161   2.923
  244    HA   ARG  27           HA       ARG  27  -7.385   2.906   3.434
  245    HB2  ARG  27           HB2      ARG  27  -6.641   0.446   2.625
  246    HB3  ARG  27           HB3      ARG  27  -6.506   0.164   4.320
  247    HG2  ARG  27           HG2      ARG  27  -9.074   1.280   3.189
  248    HG3  ARG  27           HG3      ARG  27  -8.650  -0.380   2.882
  249    HD2  ARG  27           HD2      ARG  27  -9.125   0.910   5.559
  250    HD3  ARG  27           HD3      ARG  27 -10.053  -0.360   4.778
  251    HE   ARG  27           HE       ARG  27  -7.385  -1.204   5.167
  252   HH11  ARG  27          HH11      ARG  27 -10.361  -0.633   6.919
  253   HH12  ARG  27          HH12      ARG  27 -10.016  -1.815   8.136
  254   HH21  ARG  27          HH21      ARG  27  -6.937  -2.763   6.775
  255   HH22  ARG  27          HH22      ARG  27  -8.073  -3.022   8.055
  256    H    TRP  28           H        TRP  28  -8.042   2.203   5.641
  257    HA   TRP  28           HA       TRP  28  -6.269   3.494   7.531
  258    HB2  TRP  28           HB2      TRP  28  -8.811   3.871   7.359
  259    HB3  TRP  28           HB3      TRP  28  -8.968   2.331   8.188
  260    HD1  TRP  28           HD1      TRP  28  -9.757   3.022  10.509
  261    HE1  TRP  28           HE1      TRP  28  -8.873   4.541  12.368
  262    HE3  TRP  28           HE3      TRP  28  -5.916   5.225   7.970
  263    HZ2  TRP  28           HZ2      TRP  28  -6.809   6.444  12.722
  264    HZ3  TRP  28           HZ3      TRP  28  -4.535   6.890   9.141
  265    HH2  TRP  28           HH2      TRP  28  -4.973   7.486  11.466
  266    H    ASP  29           H        ASP  29  -5.516   2.614   9.458
  267    HA   ASP  29           HA       ASP  29  -5.096  -0.271   9.356
  268    HB2  ASP  29           HB2      ASP  29  -3.430   0.057  11.101
  269    HB3  ASP  29           HB3      ASP  29  -3.136   1.183   9.790
  Start of MODEL    2
    1    H1   ARG   1           H1       ARG   1  -5.067   3.338  12.675
    2    H2   ARG   1           H2       ARG   1  -4.026   2.496  13.749
    3    H3   ARG   1           H3       ARG   1  -4.906   1.636  12.553
    4    HA   ARG   1           HA       ARG   1  -2.803   3.652  12.043
    5    HB2  ARG   1           HB2      ARG   1  -2.788   0.752  12.559
    6    HB3  ARG   1           HB3      ARG   1  -2.046   1.161  11.023
    7    HG2  ARG   1           HG2      ARG   1  -0.534   2.728  12.224
    8    HG3  ARG   1           HG3      ARG   1  -1.232   2.167  13.749
    9    HD2  ARG   1           HD2      ARG   1  -0.334   0.036  13.512
   10    HD3  ARG   1           HD3      ARG   1  -0.091   0.224  11.777
   11    HE   ARG   1           HE       ARG   1   1.683   1.064  13.888
   12   HH11  ARG   1          HH11      ARG   1   0.794   1.513  10.528
   13   HH12  ARG   1          HH12      ARG   1   2.341   2.144  10.078
   14   HH21  ARG   1          HH21      ARG   1   3.716   1.901  13.285
   15   HH22  ARG   1          HH22      ARG   1   3.999   2.365  11.641
   16    H    TRP   2           H        TRP   2  -1.926   3.095   9.816
   17    HA   TRP   2           HA       TRP   2  -3.880   2.556   7.794
   18    HB2  TRP   2           HB2      TRP   2  -4.624   4.503   7.917
   19    HB3  TRP   2           HB3      TRP   2  -3.638   4.876   9.138
   20    HD1  TRP   2           HD1      TRP   2  -1.509   6.179   8.667
   21    HE1  TRP   2           HE1      TRP   2  -1.238   8.185   7.040
   22    HE3  TRP   2           HE3      TRP   2  -5.255   5.026   5.602
   23    HZ2  TRP   2           HZ2      TRP   2  -2.626   9.147   4.703
   24    HZ3  TRP   2           HZ3      TRP   2  -5.861   6.497   3.804
   25    HH2  TRP   2           HH2      TRP   2  -4.554   8.516   3.294
   26    H    PHE   3           H        PHE   3  -3.058   2.749   5.751
   27    HA   PHE   3           HA       PHE   3  -0.305   3.144   5.082
   28    HB2  PHE   3           HB2      PHE   3   0.364   0.765   4.977
   29    HB3  PHE   3           HB3      PHE   3  -0.078   1.263   6.579
   30    HD1  PHE   3           HD2      PHE   3  -2.546   0.737   7.307
   31    HD2  PHE   3           HD1      PHE   3  -0.560  -1.013   3.996
   32    HE1  PHE   3           HE2      PHE   3  -4.235  -1.045   7.259
   33    HE2  PHE   3           HE1      PHE   3  -2.254  -2.813   3.918
   34    HZ   PHE   3           HZ       PHE   3  -4.114  -2.804   5.549
   35    H    TYR   4           H        TYR   4   0.223   1.485   3.024
   36    HA   TYR   4           HA       TYR   4  -1.966   1.933   1.182
   37    HB2  TYR   4           HB2      TYR   4   0.784   1.410   0.254
   38    HB3  TYR   4           HB3      TYR   4  -0.385   2.570  -0.258
   39    HD1  TYR   4           HD2      TYR   4  -0.518   3.629   2.892
   40    HD2  TYR   4           HD1      TYR   4   2.433   3.145  -0.142
   41    HE1  TYR   4           HE2      TYR   4   0.795   5.310   3.946
   42    HE2  TYR   4           HE1      TYR   4   3.768   4.891   0.928
   43    HH   TYR   4           HH       TYR   4   3.718   5.810   3.751
   44    H    PHE   5           H        PHE   5  -2.678   0.330  -0.169
   45    HA   PHE   5           HA       PHE   5  -1.545  -2.353   0.260
   46    HB2  PHE   5           HB2      PHE   5  -3.733  -2.016   1.355
   47    HB3  PHE   5           HB3      PHE   5  -4.447  -1.672  -0.194
   48    HD1  PHE   5           HD2      PHE   5  -2.135  -4.341   1.040
   49    HD2  PHE   5           HD1      PHE   5  -5.756  -3.376  -0.957
   50    HE1  PHE   5           HE2      PHE   5  -2.536  -6.719   0.620
   51    HE2  PHE   5           HE1      PHE   5  -6.158  -5.747  -1.392
   52    HZ   PHE   5           HZ       PHE   5  -4.546  -7.410  -0.610
   53    H    ASN   6           H        ASN   6  -1.021  -3.515  -1.508
   54    HA   ASN   6           HA       ASN   6  -1.926  -2.444  -4.095
   55    HB2  ASN   6           HB2      ASN   6   0.548  -2.609  -3.813
   56    HB3  ASN   6           HB3      ASN   6   0.399  -4.297  -3.425
   57   HD21  ASN   6          HD21      ASN   6  -0.888  -2.102  -5.934
   58   HD22  ASN   6          HD22      ASN   6  -0.525  -3.118  -7.277
   59    H    ARG   7           H        ARG   7  -3.617  -3.449  -4.856
   60    HA   ARG   7           HA       ARG   7  -4.515  -5.969  -3.904
   61    HB2  ARG   7           HB2      ARG   7  -6.454  -5.563  -5.094
   62    HB3  ARG   7           HB3      ARG   7  -5.839  -3.953  -4.751
   63    HG2  ARG   7           HG2      ARG   7  -5.119  -3.610  -6.894
   64    HG3  ARG   7           HG3      ARG   7  -5.158  -5.316  -7.297
   65    HD2  ARG   7           HD2      ARG   7  -7.649  -5.271  -7.089
   66    HD3  ARG   7           HD3      ARG   7  -7.551  -3.514  -6.837
   67    HE   ARG   7           HE       ARG   7  -6.207  -4.328  -9.272
   68   HH11  ARG   7          HH11      ARG   7  -9.377  -3.662  -7.895
   69   HH12  ARG   7          HH12      ARG   7 -10.082  -3.243  -9.420
   70   HH21  ARG   7          HH21      ARG   7  -7.155  -3.773 -11.263
   71   HH22  ARG   7          HH22      ARG   7  -8.821  -3.306 -11.331
   72    H    ILE   8           H        ILE   8  -2.537  -5.020  -6.557
   73    HA   ILE   8           HA       ILE   8  -3.062  -7.275  -8.241
   74    HB   ILE   8           HB       ILE   8  -0.733  -5.333  -8.195
   75   HG12  ILE   8          HG12      ILE   8  -3.275  -4.719  -8.950
   76   HG13  ILE   8          HG13      ILE   8  -1.840  -3.967  -9.618
   77   HG21  ILE   8          HG21      ILE   8  -1.374  -7.376 -10.315
   78   HG22  ILE   8          HG22      ILE   8  -0.022  -7.437  -9.183
   79   HG23  ILE   8          HG23      ILE   8  -0.101  -6.158 -10.393
   80   HD11  ILE   8          HD11      ILE   8  -2.313  -6.274 -11.163
   81   HD12  ILE   8          HD12      ILE   8  -2.497  -4.585 -11.625
   82   HD13  ILE   8          HD13      ILE   8  -3.865  -5.463 -10.945
   83    H    THR   9           H        THR   9  -0.383  -6.482  -6.020
   84    HA   THR   9           HA       THR   9   0.560  -9.236  -6.243
   85    HB   THR   9           HB       THR   9   2.617  -8.500  -5.295
   86    HG1  THR   9           HG1      THR   9   2.837  -6.294  -4.620
   87   HG21  THR   9          HG21      THR   9   3.386  -6.980  -6.894
   88   HG22  THR   9          HG22      THR   9   1.794  -6.232  -7.055
   89   HG23  THR   9          HG23      THR   9   2.070  -7.860  -7.675
   90    H    GLY  10           H        GLY  10  -1.072  -7.175  -4.152
   91    HA2  GLY  10           HA2      GLY  10  -2.277  -7.677  -2.234
   92    HA3  GLY  10           HA3      GLY  10  -1.529  -9.243  -2.247
   93    H    LYS  11           H        LYS  11   0.695  -6.621  -2.464
   94    HA   LYS  11           HA       LYS  11   1.607  -7.131   0.241
   95    HB2  LYS  11           HB2      LYS  11   2.809  -5.776  -2.165
   96    HB3  LYS  11           HB3      LYS  11   3.604  -5.857  -0.603
   97    HG2  LYS  11           HG2      LYS  11   2.697  -8.301  -2.071
   98    HG3  LYS  11           HG3      LYS  11   4.256  -7.551  -2.383
   99    HD2  LYS  11           HD2      LYS  11   3.265  -8.855   0.129
  100    HD3  LYS  11           HD3      LYS  11   4.695  -9.250  -0.821
  101    HE2  LYS  11           HE2      LYS  11   5.511  -6.893  -0.196
  102    HE3  LYS  11           HE3      LYS  11   4.254  -6.937   1.040
  103    HZ1  LYS  11           HZ1      LYS  11   5.266  -8.943   1.939
  104    HZ2  LYS  11           HZ2      LYS  11   6.376  -7.667   1.921
  105    HZ3  LYS  11           HZ3      LYS  11   6.475  -8.890   0.757
  106    H    ARG  12           H        ARG  12   2.346  -5.160   1.490
  107    HA   ARG  12           HA       ARG  12   1.137  -2.666   0.972
  108    HB2  ARG  12           HB2      ARG  12  -0.629  -2.835   2.548
  109    HB3  ARG  12           HB3      ARG  12  -0.748  -4.189   1.483
  110    HG2  ARG  12           HG2      ARG  12   0.402  -5.521   3.264
  111    HG3  ARG  12           HG3      ARG  12   0.175  -4.154   4.335
  112    HD2  ARG  12           HD2      ARG  12  -1.776  -5.141   4.838
  113    HD3  ARG  12           HD3      ARG  12  -2.324  -4.472   3.302
  114    HE   ARG  12           HE       ARG  12  -1.109  -6.984   2.869
  115   HH11  ARG  12          HH11      ARG  12  -4.026  -5.569   4.193
  116   HH12  ARG  12          HH12      ARG  12  -5.000  -6.958   3.853
  117   HH21  ARG  12          HH21      ARG  12  -2.399  -8.810   2.421
  118   HH22  ARG  12          HH22      ARG  12  -4.078  -8.799   2.847
  119    H    GLN  13           H        GLN  13   1.954  -1.050   2.377
  120    HA   GLN  13           HA       GLN  13   2.831  -1.609   5.008
  121    HB2  GLN  13           HB2      GLN  13   5.091  -0.389   4.011
  122    HB3  GLN  13           HB3      GLN  13   4.956  -1.972   4.714
  123    HG2  GLN  13           HG2      GLN  13   5.909  -2.568   2.845
  124    HG3  GLN  13           HG3      GLN  13   4.287  -2.519   2.209
  125   HE21  GLN  13          HE21      GLN  13   3.782   0.089   1.686
  126   HE22  GLN  13          HE22      GLN  13   4.969   0.747   0.622
  127    H    PHE  14           H        PHE  14   4.283   0.281   5.703
  128    HA   PHE  14           HA       PHE  14   2.677   2.713   5.354
  129    HB2  PHE  14           HB2      PHE  14   3.772   1.721   7.623
  130    HB3  PHE  14           HB3      PHE  14   5.126   2.705   7.075
  131    HD1  PHE  14           HD2      PHE  14   1.528   2.820   7.813
  132    HD2  PHE  14           HD1      PHE  14   5.139   5.003   7.464
  133    HE1  PHE  14           HE2      PHE  14   0.407   4.795   8.728
  134    HE2  PHE  14           HE1      PHE  14   4.037   6.994   8.382
  135    HZ   PHE  14           HZ       PHE  14   1.666   6.886   9.015
  136    H    GLU  15           H        GLU  15   5.515   1.257   4.149
  137    HA   GLU  15           HA       GLU  15   6.970   3.648   3.520
  138    HB2  GLU  15           HB2      GLU  15   7.552   1.002   3.828
  139    HB3  GLU  15           HB3      GLU  15   7.628   1.200   2.124
  140    HG2  GLU  15           HG2      GLU  15   8.959   3.372   3.199
  141    HG3  GLU  15           HG3      GLU  15   9.453   2.000   4.177
  142    H    ARG  16           H        ARG  16   7.905   3.386   1.267
  143    HA   ARG  16           HA       ARG  16   6.136   4.383  -0.627
  144    HB2  ARG  16           HB2      ARG  16   8.498   4.693  -0.836
  145    HB3  ARG  16           HB3      ARG  16   8.798   2.970  -0.783
  146    HG2  ARG  16           HG2      ARG  16   7.619   2.739  -2.912
  147    HG3  ARG  16           HG3      ARG  16   7.514   4.494  -3.024
  148    HD2  ARG  16           HD2      ARG  16   9.418   3.470  -4.296
  149    HD3  ARG  16           HD3      ARG  16   9.889   4.699  -3.126
  150    HE   ARG  16           HE       ARG  16  10.388   1.826  -2.951
  151   HH11  ARG  16          HH11      ARG  16  10.682   4.993  -1.471
  152   HH12  ARG  16          HH12      ARG  16  11.891   4.484  -0.344
  153   HH21  ARG  16          HH21      ARG  16  11.977   1.170  -1.458
  154   HH22  ARG  16          HH22      ARG  16  12.626   2.318  -0.335
  155    HA   PRO  17           HA       PRO  17   3.800   0.829  -1.871
  156    HB2  PRO  17           HB2      PRO  17   4.524   1.382  -4.694
  157    HB3  PRO  17           HB3      PRO  17   2.934   1.201  -3.957
  158    HG2  PRO  17           HG2      PRO  17   3.898   3.599  -4.687
  159    HG3  PRO  17           HG3      PRO  17   2.849   3.390  -3.274
  160    HD2  PRO  17           HD2      PRO  17   5.778   3.874  -3.395
  161    HD3  PRO  17           HD3      PRO  17   4.609   4.335  -2.181
  162    H    LYS  18           H        LYS  18   4.342  -1.266  -2.034
  163    HA   LYS  18           HA       LYS  18   7.059  -2.052  -2.233
  164    HB2  LYS  18           HB2      LYS  18   4.802  -3.327  -1.279
  165    HB3  LYS  18           HB3      LYS  18   5.095  -4.199  -2.770
  166    HG2  LYS  18           HG2      LYS  18   6.712  -4.061  -0.281
  167    HG3  LYS  18           HG3      LYS  18   6.250  -5.455  -1.253
  168    HD2  LYS  18           HD2      LYS  18   8.104  -3.427  -2.424
  169    HD3  LYS  18           HD3      LYS  18   8.726  -4.588  -1.252
  170    HE2  LYS  18           HE2      LYS  18   7.933  -6.430  -2.629
  171    HE3  LYS  18           HE3      LYS  18   7.248  -5.290  -3.786
  172    HZ1  LYS  18           HZ1      LYS  18   9.478  -4.465  -4.235
  173    HZ2  LYS  18           HZ2      LYS  18   9.381  -6.126  -4.537
  174    HZ3  LYS  18           HZ3      LYS  18  10.132  -5.567  -3.129
  175    H    GLY  19           H        GLY  19   7.101  -0.710  -4.216
  176    HA2  GLY  19           HA2      GLY  19   8.135  -1.601  -6.371
  177    HA3  GLY  19           HA3      GLY  19   6.512  -2.196  -6.667
  178    H    LEU  20           H        LEU  20   6.147   0.824  -5.073
  179    HA   LEU  20           HA       LEU  20   5.300   2.797  -5.913
  180    HB2  LEU  20           HB2      LEU  20   7.966   2.345  -6.795
  181    HB3  LEU  20           HB3      LEU  20   7.141   3.223  -8.055
  182    HG   LEU  20           HG       LEU  20   7.289   4.205  -5.187
  183   HD11  LEU  20          HD11      LEU  20   9.532   3.884  -6.262
  184   HD12  LEU  20          HD12      LEU  20   9.148   5.534  -5.769
  185   HD13  LEU  20          HD13      LEU  20   9.039   5.073  -7.468
  186   HD21  LEU  20          HD21      LEU  20   5.992   5.137  -7.621
  187   HD22  LEU  20          HD22      LEU  20   7.117   6.328  -6.975
  188   HD23  LEU  20          HD23      LEU  20   5.815   5.712  -5.961
  189    H    VAL  21           H        VAL  21   3.685   1.109  -6.768
  190    HA   VAL  21           HA       VAL  21   3.259   1.529  -9.580
  191    HB   VAL  21           HB       VAL  21   2.117  -0.963  -8.574
  192   HG11  VAL  21          HG11      VAL  21   2.827   0.219 -11.094
  193   HG12  VAL  21          HG12      VAL  21   1.944  -1.275 -10.784
  194   HG13  VAL  21          HG13      VAL  21   3.703  -1.299 -10.898
  195   HG21  VAL  21          HG21      VAL  21   4.018  -2.119  -8.351
  196   HG22  VAL  21          HG22      VAL  21   4.497  -0.567  -7.683
  197   HG23  VAL  21          HG23      VAL  21   4.950  -0.988  -9.321
  198    H    LYS  22           H        LYS  22   1.097   0.387 -10.047
  199    HA   LYS  22           HA       LYS  22  -0.982   2.070  -8.888
  200    HB2  LYS  22           HB2      LYS  22  -0.821   0.460 -11.446
  201    HB3  LYS  22           HB3      LYS  22  -2.336   1.130 -10.858
  202    HG2  LYS  22           HG2      LYS  22  -1.865   3.045 -11.854
  203    HG3  LYS  22           HG3      LYS  22  -0.436   3.221 -10.836
  204    HD2  LYS  22           HD2      LYS  22   0.328   1.378 -12.765
  205    HD3  LYS  22           HD3      LYS  22  -0.642   2.552 -13.654
  206    HE2  LYS  22           HE2      LYS  22   1.457   3.495 -13.777
  207    HE3  LYS  22           HE3      LYS  22   0.788   4.303 -12.361
  208    HZ1  LYS  22           HZ1      LYS  22   1.984   2.814 -10.936
  209    HZ2  LYS  22           HZ2      LYS  22   3.076   3.490 -12.036
  210    HZ3  LYS  22           HZ3      LYS  22   2.534   1.903 -12.252
  211    H    GLY  23           H        GLY  23  -3.211   0.774  -8.762
  212    HA2  GLY  23           HA2      GLY  23  -4.305  -1.321  -8.035
  213    HA3  GLY  23           HA3      GLY  23  -2.705  -2.014  -7.851
  214    H    TRP  24           H        TRP  24  -1.589   0.192  -6.490
  215    HA   TRP  24           HA       TRP  24  -1.888  -0.433  -3.846
  216    HB2  TRP  24           HB2      TRP  24  -0.727   1.881  -5.394
  217    HB3  TRP  24           HB3      TRP  24  -0.571   1.767  -3.661
  218    HD1  TRP  24           HD1      TRP  24   1.146   0.647  -6.754
  219    HE1  TRP  24           HE1      TRP  24   2.939  -1.035  -6.172
  220    HE3  TRP  24           HE3      TRP  24  -0.221  -0.368  -1.950
  221    HZ2  TRP  24           HZ2      TRP  24   3.683  -2.667  -4.022
  222    HZ3  TRP  24           HZ3      TRP  24   1.052  -2.099  -0.753
  223    HH2  TRP  24           HH2      TRP  24   2.979  -3.150  -1.728
  224    H    GLU  25           H        GLU  25  -3.138   0.402  -2.156
  225    HA   GLU  25           HA       GLU  25  -4.649   2.862  -2.611
  226    HB2  GLU  25           HB2      GLU  25  -5.919   0.166  -2.472
  227    HB3  GLU  25           HB3      GLU  25  -6.693   1.462  -1.576
  228    HG2  GLU  25           HG2      GLU  25  -7.754   1.905  -3.474
  229    HG3  GLU  25           HG3      GLU  25  -6.240   2.643  -3.994
  230    H    LYS  26           H        LYS  26  -3.848   3.961  -0.942
  231    HA   LYS  26           HA       LYS  26  -3.143   2.787   1.524
  232    HB2  LYS  26           HB2      LYS  26  -2.046   4.934   0.763
  233    HB3  LYS  26           HB3      LYS  26  -3.619   5.697   0.725
  234    HG2  LYS  26           HG2      LYS  26  -3.698   5.991   2.987
  235    HG3  LYS  26           HG3      LYS  26  -2.435   4.814   3.322
  236    HD2  LYS  26           HD2      LYS  26  -1.319   6.874   3.505
  237    HD3  LYS  26           HD3      LYS  26  -0.942   6.304   1.869
  238    HE2  LYS  26           HE2      LYS  26  -3.100   7.692   1.203
  239    HE3  LYS  26           HE3      LYS  26  -2.702   8.563   2.692
  240    HZ1  LYS  26           HZ1      LYS  26  -1.671   9.585   0.771
  241    HZ2  LYS  26           HZ2      LYS  26  -0.862   8.146   0.402
  242    HZ3  LYS  26           HZ3      LYS  26  -0.490   8.985   1.823
  243    H    ARG  27           H        ARG  27  -4.337   2.124   3.111
  244    HA   ARG  27           HA       ARG  27  -7.112   3.100   3.372
  245    HB2  ARG  27           HB2      ARG  27  -6.268   0.519   2.917
  246    HB3  ARG  27           HB3      ARG  27  -6.538   0.455   4.624
  247    HG2  ARG  27           HG2      ARG  27  -8.386   0.674   2.314
  248    HG3  ARG  27           HG3      ARG  27  -8.584  -0.151   3.843
  249    HD2  ARG  27           HD2      ARG  27  -9.366   1.760   4.920
  250    HD3  ARG  27           HD3      ARG  27  -8.699   2.832   3.693
  251    HE   ARG  27           HE       ARG  27 -10.912   1.021   3.019
  252   HH11  ARG  27          HH11      ARG  27  -9.702   4.293   3.412
  253   HH12  ARG  27          HH12      ARG  27 -11.049   5.012   2.601
  254   HH21  ARG  27          HH21      ARG  27 -12.677   1.985   1.957
  255   HH22  ARG  27          HH22      ARG  27 -12.737   3.707   1.778
  256    H    TRP  28           H        TRP  28  -7.999   2.721   5.525
  257    HA   TRP  28           HA       TRP  28  -6.125   3.538   7.629
  258    HB2  TRP  28           HB2      TRP  28  -7.927   5.156   7.040
  259    HB3  TRP  28           HB3      TRP  28  -9.116   3.975   7.523
  260    HD1  TRP  28           HD1      TRP  28  -9.948   4.237   9.831
  261    HE1  TRP  28           HE1      TRP  28  -9.150   5.281  12.032
  262    HE3  TRP  28           HE3      TRP  28  -5.412   5.893   8.274
  263    HZ2  TRP  28           HZ2      TRP  28  -6.850   6.635  12.989
  264    HZ3  TRP  28           HZ3      TRP  28  -3.929   7.016   9.895
  265    HH2  TRP  28           HH2      TRP  28  -4.656   7.410  12.197
  266    H    ASP  29           H        ASP  29  -6.184   1.048   6.960
  267    HA   ASP  29           HA       ASP  29  -6.220  -1.110   7.786
  268    HB2  ASP  29           HB2      ASP  29  -5.402  -1.071   9.850
  269    HB3  ASP  29           HB3      ASP  29  -5.835   0.627   9.963
  Start of MODEL    3
    1    H1   ARG   1           H1       ARG   1  -3.926   3.560  13.207
    2    H2   ARG   1           H2       ARG   1  -4.045   2.207  12.156
    3    H3   ARG   1           H3       ARG   1  -5.052   3.574  11.915
    4    HA   ARG   1           HA       ARG   1  -3.011   4.896  11.576
    5    HB2  ARG   1           HB2      ARG   1  -1.904   2.345  12.316
    6    HB3  ARG   1           HB3      ARG   1  -1.390   2.718  10.681
    7    HG2  ARG   1           HG2      ARG   1  -0.571   4.946  11.580
    8    HG3  ARG   1           HG3      ARG   1  -0.861   4.287  13.196
    9    HD2  ARG   1           HD2      ARG   1   0.809   2.711  12.993
   10    HD3  ARG   1           HD3      ARG   1   0.752   2.724  11.231
   11    HE   ARG   1           HE       ARG   1   1.630   5.224  12.283
   12   HH11  ARG   1          HH11      ARG   1   2.698   1.971  11.545
   13   HH12  ARG   1          HH12      ARG   1   4.356   2.428  11.353
   14   HH21  ARG   1          HH21      ARG   1   3.818   5.819  12.029
   15   HH22  ARG   1          HH22      ARG   1   4.992   4.611  11.628
   16    H    TRP   2           H        TRP   2  -1.941   4.862   9.354
   17    HA   TRP   2           HA       TRP   2  -3.892   3.876   7.385
   18    HB2  TRP   2           HB2      TRP   2  -2.064   6.266   7.435
   19    HB3  TRP   2           HB3      TRP   2  -2.788   5.725   5.964
   20    HD1  TRP   2           HD1      TRP   2  -3.357   8.018   8.677
   21    HE1  TRP   2           HE1      TRP   2  -5.802   8.854   8.704
   22    HE3  TRP   2           HE3      TRP   2  -5.322   4.626   5.509
   23    HZ2  TRP   2           HZ2      TRP   2  -8.266   8.124   7.488
   24    HZ3  TRP   2           HZ3      TRP   2  -7.729   4.728   4.955
   25    HH2  TRP   2           HH2      TRP   2  -9.169   6.446   5.932
   26    H    PHE   3           H        PHE   3  -3.018   3.216   5.265
   27    HA   PHE   3           HA       PHE   3  -0.303   2.834   4.758
   28    HB2  PHE   3           HB2      PHE   3   0.051   0.510   5.020
   29    HB3  PHE   3           HB3      PHE   3  -0.468   1.199   6.527
   30    HD1  PHE   3           HD2      PHE   3  -3.256   1.100   6.656
   31    HD2  PHE   3           HD1      PHE   3  -0.648  -1.538   4.592
   32    HE1  PHE   3           HE2      PHE   3  -5.011  -0.624   6.668
   33    HE2  PHE   3           HE1      PHE   3  -2.394  -3.276   4.598
   34    HZ   PHE   3           HZ       PHE   3  -4.582  -2.817   5.634
   35    H    TYR   4           H        TYR   4   0.114   1.365   2.912
   36    HA   TYR   4           HA       TYR   4  -2.067   1.753   1.038
   37    HB2  TYR   4           HB2      TYR   4   0.724   1.288   0.160
   38    HB3  TYR   4           HB3      TYR   4  -0.466   2.421  -0.381
   39    HD1  TYR   4           HD1      TYR   4  -0.769   3.479   2.726
   40    HD2  TYR   4           HD2      TYR   4   2.375   3.037  -0.116
   41    HE1  TYR   4           HE1      TYR   4   0.414   5.219   3.832
   42    HE2  TYR   4           HE2      TYR   4   3.606   4.821   1.021
   43    HH   TYR   4           HH       TYR   4   3.321   5.774   3.846
   44    H    PHE   5           H        PHE   5  -2.750   0.195  -0.325
   45    HA   PHE   5           HA       PHE   5  -1.652  -2.506   0.057
   46    HB2  PHE   5           HB2      PHE   5  -3.873  -2.144   1.085
   47    HB3  PHE   5           HB3      PHE   5  -4.523  -1.755  -0.481
   48    HD1  PHE   5           HD1      PHE   5  -2.317  -4.499   0.792
   49    HD2  PHE   5           HD2      PHE   5  -5.829  -3.402  -1.334
   50    HE1  PHE   5           HE1      PHE   5  -2.755  -6.854   0.306
   51    HE2  PHE   5           HE2      PHE   5  -6.270  -5.756  -1.832
   52    HZ   PHE   5           HZ       PHE   5  -4.726  -7.473  -1.024
   53    H    ASN   6           H        ASN   6  -1.056  -3.593  -1.733
   54    HA   ASN   6           HA       ASN   6  -1.868  -2.434  -4.312
   55    HB2  ASN   6           HB2      ASN   6   0.598  -2.620  -3.951
   56    HB3  ASN   6           HB3      ASN   6   0.427  -4.322  -3.634
   57   HD21  ASN   6          HD21      ASN   6  -0.786  -2.034  -6.095
   58   HD22  ASN   6          HD22      ASN   6  -0.377  -2.997  -7.463
   59    H    ARG   7           H        ARG   7  -3.586  -3.390  -5.075
   60    HA   ARG   7           HA       ARG   7  -4.515  -5.936  -4.276
   61    HB2  ARG   7           HB2      ARG   7  -6.386  -5.494  -5.570
   62    HB3  ARG   7           HB3      ARG   7  -5.787  -3.902  -5.125
   63    HG2  ARG   7           HG2      ARG   7  -4.959  -3.465  -7.207
   64    HG3  ARG   7           HG3      ARG   7  -4.952  -5.152  -7.683
   65    HD2  ARG   7           HD2      ARG   7  -7.422  -5.168  -7.706
   66    HD3  ARG   7           HD3      ARG   7  -7.425  -3.451  -7.246
   67    HE   ARG   7           HE       ARG   7  -5.885  -3.938  -9.662
   68   HH11  ARG   7          HH11      ARG   7  -9.146  -3.473  -8.424
   69   HH12  ARG   7          HH12      ARG   7  -9.760  -2.878  -9.928
   70   HH21  ARG   7          HH21      ARG   7  -6.713  -3.152 -11.628
   71   HH22  ARG   7          HH22      ARG   7  -8.380  -2.695 -11.748
   72    H    ILE   8           H        ILE   8  -2.372  -4.954  -6.768
   73    HA   ILE   8           HA       ILE   8  -2.826  -7.156  -8.545
   74    HB   ILE   8           HB       ILE   8  -0.485  -5.242  -8.321
   75   HG12  ILE   8          HG12      ILE   8  -2.982  -4.573  -9.178
   76   HG13  ILE   8          HG13      ILE   8  -1.508  -3.813  -9.743
   77   HG21  ILE   8          HG21      ILE   8   0.289  -7.282  -9.341
   78   HG22  ILE   8          HG22      ILE   8   0.203  -6.000 -10.548
   79   HG23  ILE   8          HG23      ILE   8  -1.042  -7.247 -10.499
   80   HD11  ILE   8          HD11      ILE   8  -2.070  -4.346 -11.801
   81   HD12  ILE   8          HD12      ILE   8  -3.474  -5.240 -11.224
   82   HD13  ILE   8          HD13      ILE   8  -1.919  -6.054 -11.395
   83    H    THR   9           H        THR   9  -0.259  -6.436  -6.168
   84    HA   THR   9           HA       THR   9   0.676  -9.191  -6.402
   85    HB   THR   9           HB       THR   9   2.684  -8.485  -5.318
   86    HG1  THR   9           HG1      THR   9   2.859  -6.262  -4.628
   87   HG21  THR   9          HG21      THR   9   3.551  -6.958  -6.854
   88   HG22  THR   9          HG22      THR   9   1.980  -6.184  -7.086
   89   HG23  THR   9          HG23      THR   9   2.266  -7.805  -7.720
   90    H    GLY  10           H        GLY  10  -1.024  -7.150  -4.338
   91    HA2  GLY  10           HA2      GLY  10  -2.366  -7.709  -2.532
   92    HA3  GLY  10           HA3      GLY  10  -1.602  -9.265  -2.511
   93    H    LYS  11           H        LYS  11   0.663  -6.704  -2.547
   94    HA   LYS  11           HA       LYS  11   1.359  -7.203   0.220
   95    HB2  LYS  11           HB2      LYS  11   2.714  -5.878  -2.110
   96    HB3  LYS  11           HB3      LYS  11   3.401  -5.884  -0.496
   97    HG2  LYS  11           HG2      LYS  11   2.642  -8.390  -1.951
   98    HG3  LYS  11           HG3      LYS  11   4.213  -7.626  -2.152
   99    HD2  LYS  11           HD2      LYS  11   3.033  -8.911   0.280
  100    HD3  LYS  11           HD3      LYS  11   4.571  -9.251  -0.510
  101    HE2  LYS  11           HE2      LYS  11   5.156  -6.807   0.158
  102    HE3  LYS  11           HE3      LYS  11   3.835  -6.991   1.310
  103    HZ1  LYS  11           HZ1      LYS  11   4.971  -8.952   2.203
  104    HZ2  LYS  11           HZ2      LYS  11   5.923  -7.560   2.336
  105    HZ3  LYS  11           HZ3      LYS  11   6.258  -8.701   1.133
  106    H    ARG  12           H        ARG  12   2.056  -5.245   1.516
  107    HA   ARG  12           HA       ARG  12   0.919  -2.735   0.957
  108    HB2  ARG  12           HB2      ARG  12  -0.811  -2.897   2.662
  109    HB3  ARG  12           HB3      ARG  12  -1.059  -3.987   1.342
  110    HG2  ARG  12           HG2      ARG  12  -0.208  -5.808   2.736
  111    HG3  ARG  12           HG3      ARG  12  -0.034  -4.691   4.074
  112    HD2  ARG  12           HD2      ARG  12  -2.124  -5.224   4.633
  113    HD3  ARG  12           HD3      ARG  12  -2.643  -4.336   3.201
  114    HE   ARG  12           HE       ARG  12  -1.950  -6.941   2.437
  115   HH11  ARG  12          HH11      ARG  12  -4.414  -5.272   4.282
  116   HH12  ARG  12          HH12      ARG  12  -5.630  -6.462   3.966
  117   HH21  ARG  12          HH21      ARG  12  -3.556  -8.504   2.021
  118   HH22  ARG  12          HH22      ARG  12  -5.144  -8.298   2.682
  119    H    GLN  13           H        GLN  13   1.663  -1.144   2.421
  120    HA   GLN  13           HA       GLN  13   2.411  -1.709   5.079
  121    HB2  GLN  13           HB2      GLN  13   4.724  -0.506   4.242
  122    HB3  GLN  13           HB3      GLN  13   4.542  -2.113   4.876
  123    HG2  GLN  13           HG2      GLN  13   5.611  -2.629   3.047
  124    HG3  GLN  13           HG3      GLN  13   4.026  -2.572   2.325
  125   HE21  GLN  13          HE21      GLN  13   3.532   0.056   1.870
  126   HE22  GLN  13          HE22      GLN  13   4.765   0.750   0.884
  127    H    PHE  14           H        PHE  14   3.801   0.171   5.871
  128    HA   PHE  14           HA       PHE  14   2.249   2.602   5.417
  129    HB2  PHE  14           HB2      PHE  14   3.008   1.654   7.750
  130    HB3  PHE  14           HB3      PHE  14   4.591   2.274   7.314
  131    HD1  PHE  14           HD1      PHE  14   1.184   3.674   6.886
  132    HD2  PHE  14           HD2      PHE  14   5.035   4.117   8.587
  133    HE1  PHE  14           HE1      PHE  14   0.544   5.893   7.722
  134    HE2  PHE  14           HE2      PHE  14   4.418   6.337   9.435
  135    HZ   PHE  14           HZ       PHE  14   2.168   7.220   8.999
  136    H    GLU  15           H        GLU  15   5.177   1.136   4.456
  137    HA   GLU  15           HA       GLU  15   6.688   3.511   3.935
  138    HB2  GLU  15           HB2      GLU  15   7.210   0.848   4.197
  139    HB3  GLU  15           HB3      GLU  15   7.374   1.090   2.505
  140    HG2  GLU  15           HG2      GLU  15   8.677   3.185   3.890
  141    HG3  GLU  15           HG3      GLU  15   9.184   1.645   4.568
  142    H    ARG  16           H        ARG  16   7.733   3.296   1.733
  143    HA   ARG  16           HA       ARG  16   6.073   4.370  -0.221
  144    HB2  ARG  16           HB2      ARG  16   8.466   4.661  -0.265
  145    HB3  ARG  16           HB3      ARG  16   8.736   2.931  -0.306
  146    HG2  ARG  16           HG2      ARG  16   7.537   2.926  -2.496
  147    HG3  ARG  16           HG3      ARG  16   7.696   4.681  -2.498
  148    HD2  ARG  16           HD2      ARG  16  10.014   2.780  -2.199
  149    HD3  ARG  16           HD3      ARG  16   9.491   3.435  -3.747
  150    HE   ARG  16           HE       ARG  16   9.998   5.663  -2.833
  151   HH11  ARG  16          HH11      ARG  16  11.507   2.882  -1.305
  152   HH12  ARG  16          HH12      ARG  16  12.829   3.802  -0.677
  153   HH21  ARG  16          HH21      ARG  16  11.744   6.852  -1.996
  154   HH22  ARG  16          HH22      ARG  16  12.965   6.049  -1.066
  155    HA   PRO  17           HA       PRO  17   3.756   0.962  -1.798
  156    HB2  PRO  17           HB2      PRO  17   4.398   1.154  -4.519
  157    HB3  PRO  17           HB3      PRO  17   3.049   1.950  -3.710
  158    HG2  PRO  17           HG2      PRO  17   5.743   3.023  -4.387
  159    HG3  PRO  17           HG3      PRO  17   4.173   3.840  -4.428
  160    HD2  PRO  17           HD2      PRO  17   5.898   4.306  -2.463
  161    HD3  PRO  17           HD3      PRO  17   4.182   4.143  -2.137
  162    H    LYS  18           H        LYS  18   4.207  -1.139  -1.915
  163    HA   LYS  18           HA       LYS  18   6.925  -2.037  -1.962
  164    HB2  LYS  18           HB2      LYS  18   4.548  -3.202  -1.065
  165    HB3  LYS  18           HB3      LYS  18   4.975  -4.173  -2.456
  166    HG2  LYS  18           HG2      LYS  18   6.366  -3.850   0.149
  167    HG3  LYS  18           HG3      LYS  18   6.004  -5.310  -0.770
  168    HD2  LYS  18           HD2      LYS  18   7.720  -4.651  -2.429
  169    HD3  LYS  18           HD3      LYS  18   8.123  -3.261  -1.420
  170    HE2  LYS  18           HE2      LYS  18   9.701  -5.021  -0.986
  171    HE3  LYS  18           HE3      LYS  18   8.669  -4.816   0.429
  172    HZ1  LYS  18           HZ1      LYS  18   7.480  -6.763  -0.091
  173    HZ2  LYS  18           HZ2      LYS  18   9.109  -7.169  -0.291
  174    HZ3  LYS  18           HZ3      LYS  18   8.143  -6.867  -1.645
  175    H    GLY  19           H        GLY  19   6.881  -0.704  -4.058
  176    HA2  GLY  19           HA2      GLY  19   7.943  -1.871  -6.135
  177    HA3  GLY  19           HA3      GLY  19   6.262  -2.272  -6.423
  178    H    LEU  20           H        LEU  20   6.056   0.803  -5.032
  179    HA   LEU  20           HA       LEU  20   5.529   2.825  -6.007
  180    HB2  LEU  20           HB2      LEU  20   8.152   2.017  -6.784
  181    HB3  LEU  20           HB3      LEU  20   7.466   2.968  -8.073
  182    HG   LEU  20           HG       LEU  20   7.650   3.980  -5.218
  183   HD11  LEU  20          HD11      LEU  20   9.670   5.138  -5.865
  184   HD12  LEU  20          HD12      LEU  20   9.623   4.377  -7.455
  185   HD13  LEU  20          HD13      LEU  20   9.880   3.393  -6.014
  186   HD21  LEU  20          HD21      LEU  20   7.850   6.067  -7.038
  187   HD22  LEU  20          HD22      LEU  20   6.425   5.647  -6.091
  188   HD23  LEU  20          HD23      LEU  20   6.611   5.023  -7.732
  189    H    VAL  21           H        VAL  21   3.777   1.266  -6.817
  190    HA   VAL  21           HA       VAL  21   3.421   1.652  -9.636
  191    HB   VAL  21           HB       VAL  21   2.232  -0.833  -8.675
  192   HG11  VAL  21          HG11      VAL  21   3.862  -1.156 -10.977
  193   HG12  VAL  21          HG12      VAL  21   2.988   0.362 -11.170
  194   HG13  VAL  21          HG13      VAL  21   2.101  -1.136 -10.888
  195   HG21  VAL  21          HG21      VAL  21   4.107  -2.017  -8.417
  196   HG22  VAL  21          HG22      VAL  21   4.595  -0.472  -7.735
  197   HG23  VAL  21          HG23      VAL  21   5.077  -0.899  -9.365
  198    H    LYS  22           H        LYS  22   1.250   0.553 -10.135
  199    HA   LYS  22           HA       LYS  22  -0.817   2.229  -8.939
  200    HB2  LYS  22           HB2      LYS  22  -0.625   0.709 -11.544
  201    HB3  LYS  22           HB3      LYS  22  -2.168   1.297 -10.942
  202    HG2  LYS  22           HG2      LYS  22  -1.409   3.570 -11.040
  203    HG3  LYS  22           HG3      LYS  22   0.224   3.049 -11.457
  204    HD2  LYS  22           HD2      LYS  22  -0.780   1.975 -13.514
  205    HD3  LYS  22           HD3      LYS  22  -2.275   2.828 -13.123
  206    HE2  LYS  22           HE2      LYS  22  -0.735   4.925 -13.038
  207    HE3  LYS  22           HE3      LYS  22   0.369   3.929 -13.984
  208    HZ1  LYS  22           HZ1      LYS  22  -2.425   4.620 -14.719
  209    HZ2  LYS  22           HZ2      LYS  22  -1.403   3.618 -15.620
  210    HZ3  LYS  22           HZ3      LYS  22  -1.023   5.254 -15.422
  211    H    GLY  23           H        GLY  23  -3.070   0.912  -8.901
  212    HA2  GLY  23           HA2      GLY  23  -4.157  -1.203  -8.226
  213    HA3  GLY  23           HA3      GLY  23  -2.555  -1.885  -8.029
  214    H    TRP  24           H        TRP  24  -1.480   0.296  -6.591
  215    HA   TRP  24           HA       TRP  24  -1.852  -0.403  -3.968
  216    HB2  TRP  24           HB2      TRP  24  -0.632   1.948  -5.413
  217    HB3  TRP  24           HB3      TRP  24  -0.510   1.762  -3.685
  218    HD1  TRP  24           HD1      TRP  24   1.253   0.765  -6.791
  219    HE1  TRP  24           HE1      TRP  24   3.035  -0.937  -6.255
  220    HE3  TRP  24           HE3      TRP  24  -0.186  -0.457  -2.057
  221    HZ2  TRP  24           HZ2      TRP  24   3.751  -2.657  -4.169
  222    HZ3  TRP  24           HZ3      TRP  24   1.076  -2.234  -0.912
  223    HH2  TRP  24           HH2      TRP  24   3.018  -3.243  -1.913
  224    H    GLU  25           H        GLU  25  -3.148   0.406  -2.298
  225    HA   GLU  25           HA       GLU  25  -4.591   2.913  -2.713
  226    HB2  GLU  25           HB2      GLU  25  -5.936   0.237  -2.681
  227    HB3  GLU  25           HB3      GLU  25  -6.723   1.573  -1.856
  228    HG2  GLU  25           HG2      GLU  25  -7.637   2.029  -3.827
  229    HG3  GLU  25           HG3      GLU  25  -6.065   2.701  -4.254
  230    H    LYS  26           H        LYS  26  -4.289   4.029  -0.886
  231    HA   LYS  26           HA       LYS  26  -3.438   2.716   1.479
  232    HB2  LYS  26           HB2      LYS  26  -2.595   5.048   1.182
  233    HB3  LYS  26           HB3      LYS  26  -4.211   5.622   0.909
  234    HG2  LYS  26           HG2      LYS  26  -4.800   5.381   3.234
  235    HG3  LYS  26           HG3      LYS  26  -3.223   4.665   3.589
  236    HD2  LYS  26           HD2      LYS  26  -3.347   7.345   2.271
  237    HD3  LYS  26           HD3      LYS  26  -3.678   7.210   4.006
  238    HE2  LYS  26           HE2      LYS  26  -1.494   5.987   4.274
  239    HE3  LYS  26           HE3      LYS  26  -1.165   6.346   2.572
  240    HZ1  LYS  26           HZ1      LYS  26  -0.107   7.952   4.016
  241    HZ2  LYS  26           HZ2      LYS  26  -1.592   8.358   4.715
  242    HZ3  LYS  26           HZ3      LYS  26  -1.300   8.711   3.087
  243    H    ARG  27           H        ARG  27  -4.577   1.849   3.077
  244    HA   ARG  27           HA       ARG  27  -7.417   2.560   3.355
  245    HB2  ARG  27           HB2      ARG  27  -6.523   0.179   2.467
  246    HB3  ARG  27           HB3      ARG  27  -6.567  -0.203   4.151
  247    HG2  ARG  27           HG2      ARG  27  -8.649  -0.063   2.148
  248    HG3  ARG  27           HG3      ARG  27  -8.699  -0.756   3.752
  249    HD2  ARG  27           HD2      ARG  27  -9.764   1.034   4.629
  250    HD3  ARG  27           HD3      ARG  27  -8.876   2.184   3.640
  251    HE   ARG  27           HE       ARG  27 -11.395   0.934   3.022
  252   HH11  ARG  27          HH11      ARG  27  -8.616   2.624   1.716
  253   HH12  ARG  27          HH12      ARG  27  -9.452   3.150   0.295
  254   HH21  ARG  27          HH21      ARG  27 -12.487   1.631   1.147
  255   HH22  ARG  27          HH22      ARG  27 -11.648   2.588  -0.028
  256    H    TRP  28           H        TRP  28  -8.227   1.649   5.492
  257    HA   TRP  28           HA       TRP  28  -6.619   2.793   7.624
  258    HB2  TRP  28           HB2      TRP  28  -9.112   3.242   7.298
  259    HB3  TRP  28           HB3      TRP  28  -9.385   1.603   7.856
  260    HD1  TRP  28           HD1      TRP  28 -10.324   1.801  10.173
  261    HE1  TRP  28           HE1      TRP  28  -9.735   3.057  12.324
  262    HE3  TRP  28           HE3      TRP  28  -6.478   4.635   8.397
  263    HZ2  TRP  28           HZ2      TRP  28  -7.877   5.017  13.166
  264    HZ3  TRP  28           HZ3      TRP  28  -5.347   6.184   9.937
  265    HH2  TRP  28           HH2      TRP  28  -6.033   6.371  12.272
  266    H    ASP  29           H        ASP  29  -5.921   1.700   9.463
  267    HA   ASP  29           HA       ASP  29  -6.362  -1.191   9.592
  268    HB2  ASP  29           HB2      ASP  29  -4.015  -1.681   9.911
  269    HB3  ASP  29           HB3      ASP  29  -4.224  -0.832   8.400
  Start of MODEL    4
    1    H1   ARG   1           H1       ARG   1  -4.434   1.988  12.221
    2    H2   ARG   1           H2       ARG   1  -5.426   3.226  11.570
    3    H3   ARG   1           H3       ARG   1  -4.573   3.490  13.034
    4    HA   ARG   1           HA       ARG   1  -3.256   4.582  11.608
    5    HB2  ARG   1           HB2      ARG   1  -2.398   2.051  12.516
    6    HB3  ARG   1           HB3      ARG   1  -1.866   2.128  10.848
    7    HG2  ARG   1           HG2      ARG   1  -0.824   4.399  11.496
    8    HG3  ARG   1           HG3      ARG   1  -1.058   3.856  13.160
    9    HD2  ARG   1           HD2      ARG   1   1.176   3.310  12.386
   10    HD3  ARG   1           HD3      ARG   1   0.244   1.841  12.673
   11    HE   ARG   1           HE       ARG   1   0.171   2.760   9.943
   12   HH11  ARG   1          HH11      ARG   1   1.937   0.814  12.261
   13   HH12  ARG   1          HH12      ARG   1   2.651  -0.195  11.050
   14   HH21  ARG   1          HH21      ARG   1   1.112   1.424   8.357
   15   HH22  ARG   1          HH22      ARG   1   2.185   0.151   8.834
   16    H    TRP   2           H        TRP   2  -2.393   4.970   9.518
   17    HA   TRP   2           HA       TRP   2  -4.070   3.915   7.373
   18    HB2  TRP   2           HB2      TRP   2  -2.285   6.331   7.590
   19    HB3  TRP   2           HB3      TRP   2  -2.973   5.832   6.085
   20    HD1  TRP   2           HD1      TRP   2  -3.672   7.935   8.948
   21    HE1  TRP   2           HE1      TRP   2  -6.131   8.735   8.925
   22    HE3  TRP   2           HE3      TRP   2  -5.425   4.781   5.433
   23    HZ2  TRP   2           HZ2      TRP   2  -8.526   8.065   7.538
   24    HZ3  TRP   2           HZ3      TRP   2  -7.804   4.885   4.776
   25    HH2  TRP   2           HH2      TRP   2  -9.322   6.499   5.814
   26    H    PHE   3           H        PHE   3  -3.098   3.308   5.321
   27    HA   PHE   3           HA       PHE   3  -0.361   2.989   4.903
   28    HB2  PHE   3           HB2      PHE   3   0.050   0.692   5.259
   29    HB3  PHE   3           HB3      PHE   3  -0.589   1.386   6.710
   30    HD1  PHE   3           HD1      PHE   3  -3.349   1.194   6.748
   31    HD2  PHE   3           HD2      PHE   3  -0.607  -1.344   4.723
   32    HE1  PHE   3           HE1      PHE   3  -5.067  -0.573   6.655
   33    HE2  PHE   3           HE2      PHE   3  -2.311  -3.124   4.640
   34    HZ   PHE   3           HZ       PHE   3  -4.547  -2.734   5.602
   35    H    TYR   4           H        TYR   4   0.114   1.362   3.113
   36    HA   TYR   4           HA       TYR   4  -1.976   1.767   1.140
   37    HB2  TYR   4           HB2      TYR   4   0.835   1.155   0.407
   38    HB3  TYR   4           HB3      TYR   4  -0.287   2.290  -0.247
   39    HD1  TYR   4           HD2      TYR   4  -0.698   3.494   2.796
   40    HD2  TYR   4           HD1      TYR   4   2.543   2.865   0.101
   41    HE1  TYR   4           HE2      TYR   4   0.478   5.256   3.875
   42    HE2  TYR   4           HE1      TYR   4   3.764   4.678   1.205
   43    HH   TYR   4           HH       TYR   4   2.636   6.956   2.849
   44    H    PHE   5           H        PHE   5  -2.654   0.208  -0.239
   45    HA   PHE   5           HA       PHE   5  -1.644  -2.520   0.184
   46    HB2  PHE   5           HB2      PHE   5  -3.865  -2.147   1.208
   47    HB3  PHE   5           HB3      PHE   5  -4.505  -1.739  -0.358
   48    HD1  PHE   5           HD2      PHE   5  -2.348  -4.508   0.959
   49    HD2  PHE   5           HD1      PHE   5  -5.760  -3.377  -1.314
   50    HE1  PHE   5           HE2      PHE   5  -2.765  -6.856   0.404
   51    HE2  PHE   5           HE1      PHE   5  -6.171  -5.720  -1.875
   52    HZ   PHE   5           HZ       PHE   5  -4.669  -7.450  -1.022
   53    H    ASN   6           H        ASN   6  -1.018  -3.561  -1.612
   54    HA   ASN   6           HA       ASN   6  -1.856  -2.403  -4.180
   55    HB2  ASN   6           HB2      ASN   6   0.608  -2.572  -3.861
   56    HB3  ASN   6           HB3      ASN   6   0.459  -4.269  -3.508
   57   HD21  ASN   6          HD21      ASN   6  -0.794  -2.037  -6.000
   58   HD22  ASN   6          HD22      ASN   6  -0.400  -3.025  -7.354
   59    H    ARG   7           H        ARG   7  -3.485  -3.379  -5.092
   60    HA   ARG   7           HA       ARG   7  -4.447  -5.920  -4.255
   61    HB2  ARG   7           HB2      ARG   7  -6.333  -5.461  -5.506
   62    HB3  ARG   7           HB3      ARG   7  -5.724  -3.869  -5.079
   63    HG2  ARG   7           HG2      ARG   7  -4.921  -3.451  -7.180
   64    HG3  ARG   7           HG3      ARG   7  -4.950  -5.140  -7.648
   65    HD2  ARG   7           HD2      ARG   7  -7.432  -5.108  -7.584
   66    HD3  ARG   7           HD3      ARG   7  -7.375  -3.378  -7.183
   67    HE   ARG   7           HE       ARG   7  -5.915  -3.986  -9.619
   68   HH11  ARG   7          HH11      ARG   7  -9.134  -3.397  -8.320
   69   HH12  ARG   7          HH12      ARG   7  -9.769  -2.840  -9.830
   70   HH21  ARG   7          HH21      ARG   7  -6.774  -3.251 -11.591
   71   HH22  ARG   7          HH22      ARG   7  -8.431  -2.757 -11.686
   72    H    ILE   8           H        ILE   8  -2.350  -4.898  -6.782
   73    HA   ILE   8           HA       ILE   8  -2.815  -7.097  -8.557
   74    HB   ILE   8           HB       ILE   8  -0.479  -5.174  -8.354
   75   HG12  ILE   8          HG12      ILE   8  -2.985  -4.520  -9.193
   76   HG13  ILE   8          HG13      ILE   8  -1.521  -3.755  -9.774
   77   HG21  ILE   8          HG21      ILE   8  -1.046  -7.142 -10.565
   78   HG22  ILE   8          HG22      ILE   8   0.252  -7.258  -9.375
   79   HG23  ILE   8          HG23      ILE   8   0.243  -5.938 -10.543
   80   HD11  ILE   8          HD11      ILE   8  -3.493  -5.195 -11.234
   81   HD12  ILE   8          HD12      ILE   8  -1.936  -6.003 -11.417
   82   HD13  ILE   8          HD13      ILE   8  -2.098  -4.297 -11.826
   83    H    THR   9           H        THR   9  -0.236  -6.385  -6.196
   84    HA   THR   9           HA       THR   9   0.694  -9.141  -6.449
   85    HB   THR   9           HB       THR   9   2.720  -8.451  -5.408
   86    HG1  THR   9           HG1      THR   9   2.936  -6.268  -4.662
   87   HG21  THR   9          HG21      THR   9   1.989  -6.124  -7.131
   88   HG22  THR   9          HG22      THR   9   2.268  -7.737  -7.788
   89   HG23  THR   9          HG23      THR   9   3.565  -6.897  -6.932
   90    H    GLY  10           H        GLY  10  -0.989  -7.106  -4.365
   91    HA2  GLY  10           HA2      GLY  10  -2.268  -7.635  -2.497
   92    HA3  GLY  10           HA3      GLY  10  -1.550  -9.216  -2.536
   93    H    LYS  11           H        LYS  11   0.716  -6.611  -2.592
   94    HA   LYS  11           HA       LYS  11   1.599  -7.278   0.080
   95    HB2  LYS  11           HB2      LYS  11   2.739  -5.681  -2.194
   96    HB3  LYS  11           HB3      LYS  11   3.525  -5.802  -0.629
   97    HG2  LYS  11           HG2      LYS  11   2.800  -8.195  -2.277
   98    HG3  LYS  11           HG3      LYS  11   4.321  -7.336  -2.480
   99    HD2  LYS  11           HD2      LYS  11   3.341  -8.916  -0.133
  100    HD3  LYS  11           HD3      LYS  11   4.850  -9.085  -1.027
  101    HE2  LYS  11           HE2      LYS  11   5.276  -6.649  -0.132
  102    HE3  LYS  11           HE3      LYS  11   4.104  -7.125   1.095
  103    HZ1  LYS  11           HZ1      LYS  11   6.610  -8.590   0.457
  104    HZ2  LYS  11           HZ2      LYS  11   5.497  -9.004   1.662
  105    HZ3  LYS  11           HZ3      LYS  11   6.384  -7.569   1.787
  106    H    ARG  12           H        ARG  12   2.293  -5.379   1.484
  107    HA   ARG  12           HA       ARG  12   0.824  -2.953   1.235
  108    HB2  ARG  12           HB2      ARG  12  -0.659  -3.449   3.081
  109    HB3  ARG  12           HB3      ARG  12  -0.872  -4.649   1.834
  110    HG2  ARG  12           HG2      ARG  12   0.916  -5.106   4.190
  111    HG3  ARG  12           HG3      ARG  12  -0.801  -5.407   4.292
  112    HD2  ARG  12           HD2      ARG  12   1.038  -6.672   2.249
  113    HD3  ARG  12           HD3      ARG  12   0.584  -7.407   3.779
  114    HE   ARG  12           HE       ARG  12  -1.526  -6.719   1.804
  115   HH11  ARG  12          HH11      ARG  12   0.174  -9.114   3.748
  116   HH12  ARG  12          HH12      ARG  12  -1.010 -10.343   3.471
  117   HH21  ARG  12          HH21      ARG  12  -3.067  -8.359   1.463
  118   HH22  ARG  12          HH22      ARG  12  -2.841  -9.919   2.179
  119    H    GLN  13           H        GLN  13   1.585  -1.367   2.690
  120    HA   GLN  13           HA       GLN  13   2.680  -1.847   5.197
  121    HB2  GLN  13           HB2      GLN  13   4.911  -0.750   4.263
  122    HB3  GLN  13           HB3      GLN  13   4.736  -2.447   4.624
  123    HG2  GLN  13           HG2      GLN  13   5.776  -2.343   2.629
  124    HG3  GLN  13           HG3      GLN  13   4.098  -2.629   2.180
  125   HE21  GLN  13          HE21      GLN  13   5.916  -1.413   0.319
  126   HE22  GLN  13          HE22      GLN  13   5.425   0.222   0.117
  127    H    PHE  14           H        PHE  14   4.152   0.094   5.755
  128    HA   PHE  14           HA       PHE  14   2.550   2.498   5.255
  129    HB2  PHE  14           HB2      PHE  14   3.388   1.565   7.618
  130    HB3  PHE  14           HB3      PHE  14   4.859   2.411   7.175
  131    HD1  PHE  14           HD2      PHE  14   1.253   3.213   6.811
  132    HD2  PHE  14           HD1      PHE  14   5.035   4.374   8.332
  133    HE1  PHE  14           HE2      PHE  14   0.277   5.326   7.608
  134    HE2  PHE  14           HE1      PHE  14   4.078   6.486   9.136
  135    HZ   PHE  14           HZ       PHE  14   1.697   6.956   8.770
  136    H    GLU  15           H        GLU  15   5.366   0.994   4.177
  137    HA   GLU  15           HA       GLU  15   6.993   3.312   3.746
  138    HB2  GLU  15           HB2      GLU  15   7.376   0.602   3.815
  139    HB3  GLU  15           HB3      GLU  15   7.532   0.972   2.150
  140    HG2  GLU  15           HG2      GLU  15   8.957   2.872   3.706
  141    HG3  GLU  15           HG3      GLU  15   9.403   1.245   4.200
  142    H    ARG  16           H        ARG  16   7.963   3.218   1.517
  143    HA   ARG  16           HA       ARG  16   6.220   4.396  -0.327
  144    HB2  ARG  16           HB2      ARG  16   8.612   4.769  -0.393
  145    HB3  ARG  16           HB3      ARG  16   8.926   3.056  -0.574
  146    HG2  ARG  16           HG2      ARG  16   7.794   3.106  -2.729
  147    HG3  ARG  16           HG3      ARG  16   7.647   4.857  -2.603
  148    HD2  ARG  16           HD2      ARG  16   9.582   4.152  -3.974
  149    HD3  ARG  16           HD3      ARG  16  10.051   5.091  -2.561
  150    HE   ARG  16           HE       ARG  16  10.477   2.222  -2.974
  151   HH11  ARG  16          HH11      ARG  16  10.947   5.065  -0.972
  152   HH12  ARG  16          HH12      ARG  16  12.175   4.325  -0.004
  153   HH21  ARG  16          HH21      ARG  16  12.093   1.261  -1.687
  154   HH22  ARG  16          HH22      ARG  16  12.825   2.170  -0.408
  155    HA   PRO  17           HA       PRO  17   3.874   0.999  -1.879
  156    HB2  PRO  17           HB2      PRO  17   4.477   1.321  -4.632
  157    HB3  PRO  17           HB3      PRO  17   3.058   1.909  -3.770
  158    HG2  PRO  17           HG2      PRO  17   5.557   3.332  -4.465
  159    HG3  PRO  17           HG3      PRO  17   3.916   3.966  -4.310
  160    HD2  PRO  17           HD2      PRO  17   5.762   4.453  -2.461
  161    HD3  PRO  17           HD3      PRO  17   4.109   4.093  -2.015
  162    H    LYS  18           H        LYS  18   4.352  -1.080  -1.956
  163    HA   LYS  18           HA       LYS  18   7.041  -1.990  -2.142
  164    HB2  LYS  18           HB2      LYS  18   4.715  -3.163  -1.151
  165    HB3  LYS  18           HB3      LYS  18   5.024  -4.092  -2.604
  166    HG2  LYS  18           HG2      LYS  18   6.597  -3.890  -0.093
  167    HG3  LYS  18           HG3      LYS  18   6.137  -5.309  -1.031
  168    HD2  LYS  18           HD2      LYS  18   7.732  -4.498  -2.818
  169    HD3  LYS  18           HD3      LYS  18   8.314  -3.319  -1.641
  170    HE2  LYS  18           HE2      LYS  18   9.786  -5.169  -1.517
  171    HE3  LYS  18           HE3      LYS  18   8.754  -5.258  -0.090
  172    HZ1  LYS  18           HZ1      LYS  18   7.479  -6.981  -1.078
  173    HZ2  LYS  18           HZ2      LYS  18   9.104  -7.408  -1.267
  174    HZ3  LYS  18           HZ3      LYS  18   8.236  -6.789  -2.579
  175    H    GLY  19           H        GLY  19   7.048  -0.670  -4.172
  176    HA2  GLY  19           HA2      GLY  19   8.032  -1.705  -6.308
  177    HA3  GLY  19           HA3      GLY  19   6.368  -2.194  -6.566
  178    H    LEU  20           H        LEU  20   6.075   0.863  -5.090
  179    HA   LEU  20           HA       LEU  20   5.396   2.859  -6.023
  180    HB2  LEU  20           HB2      LEU  20   8.044   2.216  -6.853
  181    HB3  LEU  20           HB3      LEU  20   7.285   3.120  -8.136
  182    HG   LEU  20           HG       LEU  20   7.458   4.147  -5.286
  183   HD11  LEU  20          HD11      LEU  20   9.701   3.702  -6.148
  184   HD12  LEU  20          HD12      LEU  20   9.385   5.428  -5.976
  185   HD13  LEU  20          HD13      LEU  20   9.342   4.679  -7.572
  186   HD21  LEU  20          HD21      LEU  20   6.291   5.118  -7.773
  187   HD22  LEU  20          HD22      LEU  20   7.475   6.242  -7.109
  188   HD23  LEU  20          HD23      LEU  20   6.105   5.730  -6.127
  189    H    VAL  21           H        VAL  21   3.724   1.203  -6.825
  190    HA   VAL  21           HA       VAL  21   3.313   1.573  -9.645
  191    HB   VAL  21           HB       VAL  21   2.160  -0.900  -8.603
  192   HG11  VAL  21          HG11      VAL  21   2.866   0.241 -11.143
  193   HG12  VAL  21          HG12      VAL  21   1.979  -1.246 -10.808
  194   HG13  VAL  21          HG13      VAL  21   3.738  -1.277 -10.927
  195   HG21  VAL  21          HG21      VAL  21   4.985  -0.972  -9.363
  196   HG22  VAL  21          HG22      VAL  21   4.043  -2.059  -8.345
  197   HG23  VAL  21          HG23      VAL  21   4.552  -0.493  -7.737
  198    H    LYS  22           H        LYS  22   1.143   0.438 -10.092
  199    HA   LYS  22           HA       LYS  22  -0.925   2.130  -8.919
  200    HB2  LYS  22           HB2      LYS  22  -0.728   0.575 -11.499
  201    HB3  LYS  22           HB3      LYS  22  -2.286   1.105 -10.887
  202    HG2  LYS  22           HG2      LYS  22   0.039   2.895 -11.573
  203    HG3  LYS  22           HG3      LYS  22  -1.409   2.649 -12.549
  204    HD2  LYS  22           HD2      LYS  22  -1.487   3.688  -9.723
  205    HD3  LYS  22           HD3      LYS  22  -1.370   4.742 -11.133
  206    HE2  LYS  22           HE2      LYS  22  -3.543   4.522 -11.601
  207    HE3  LYS  22           HE3      LYS  22  -3.492   2.772 -11.394
  208    HZ1  LYS  22           HZ1      LYS  22  -3.673   3.088  -9.003
  209    HZ2  LYS  22           HZ2      LYS  22  -4.979   3.808  -9.800
  210    HZ3  LYS  22           HZ3      LYS  22  -3.721   4.768  -9.204
  211    H    GLY  23           H        GLY  23  -3.166   0.795  -8.840
  212    HA2  GLY  23           HA2      GLY  23  -4.230  -1.308  -8.101
  213    HA3  GLY  23           HA3      GLY  23  -2.621  -1.975  -7.907
  214    H    TRP  24           H        TRP  24  -1.539   0.236  -6.530
  215    HA   TRP  24           HA       TRP  24  -1.863  -0.402  -3.885
  216    HB2  TRP  24           HB2      TRP  24  -0.701   1.925  -5.410
  217    HB3  TRP  24           HB3      TRP  24  -0.559   1.797  -3.679
  218    HD1  TRP  24           HD1      TRP  24   1.196   0.743  -6.765
  219    HE1  TRP  24           HE1      TRP  24   3.019  -0.903  -6.190
  220    HE3  TRP  24           HE3      TRP  24  -0.201  -0.390  -1.990
  221    HZ2  TRP  24           HZ2      TRP  24   3.781  -2.547  -4.058
  222    HZ3  TRP  24           HZ3      TRP  24   1.106  -2.104  -0.808
  223    HH2  TRP  24           HH2      TRP  24   3.070  -3.084  -1.783
  224    H    GLU  25           H        GLU  25  -3.163   0.412  -2.216
  225    HA   GLU  25           HA       GLU  25  -4.615   2.907  -2.670
  226    HB2  GLU  25           HB2      GLU  25  -5.939   0.239  -2.681
  227    HB3  GLU  25           HB3      GLU  25  -6.721   1.503  -1.745
  228    HG2  GLU  25           HG2      GLU  25  -7.684   2.164  -3.620
  229    HG3  GLU  25           HG3      GLU  25  -6.102   2.731  -4.150
  230    H    LYS  26           H        LYS  26  -4.209   4.040  -0.877
  231    HA   LYS  26           HA       LYS  26  -3.417   2.753   1.517
  232    HB2  LYS  26           HB2      LYS  26  -2.509   5.053   1.215
  233    HB3  LYS  26           HB3      LYS  26  -4.098   5.668   0.879
  234    HG2  LYS  26           HG2      LYS  26  -4.764   5.502   3.183
  235    HG3  LYS  26           HG3      LYS  26  -3.230   4.736   3.608
  236    HD2  LYS  26           HD2      LYS  26  -3.214   7.393   2.237
  237    HD3  LYS  26           HD3      LYS  26  -3.594   7.301   3.964
  238    HE2  LYS  26           HE2      LYS  26  -1.470   6.044   4.343
  239    HE3  LYS  26           HE3      LYS  26  -1.086   6.274   2.630
  240    HZ1  LYS  26           HZ1      LYS  26   0.014   7.922   3.992
  241    HZ2  LYS  26           HZ2      LYS  26  -1.466   8.440   4.627
  242    HZ3  LYS  26           HZ3      LYS  26  -1.123   8.672   2.987
  243    H    ARG  27           H        ARG  27  -4.606   1.916   3.097
  244    HA   ARG  27           HA       ARG  27  -7.438   2.686   3.300
  245    HB2  ARG  27           HB2      ARG  27  -6.550   0.273   2.477
  246    HB3  ARG  27           HB3      ARG  27  -6.662  -0.078   4.164
  247    HG2  ARG  27           HG2      ARG  27  -8.666   0.056   2.085
  248    HG3  ARG  27           HG3      ARG  27  -8.789  -0.601   3.700
  249    HD2  ARG  27           HD2      ARG  27  -9.881   1.209   4.484
  250    HD3  ARG  27           HD3      ARG  27  -8.905   2.334   3.550
  251    HE   ARG  27           HE       ARG  27 -11.435   1.227   2.816
  252   HH11  ARG  27          HH11      ARG  27  -8.449   2.541   1.537
  253   HH12  ARG  27          HH12      ARG  27  -9.160   3.014   0.032
  254   HH21  ARG  27          HH21      ARG  27 -12.363   1.854   0.831
  255   HH22  ARG  27          HH22      ARG  27 -11.381   2.625  -0.369
  256    H    TRP  28           H        TRP  28  -8.331   1.823   5.413
  257    HA   TRP  28           HA       TRP  28  -6.783   2.969   7.581
  258    HB2  TRP  28           HB2      TRP  28  -9.238   3.467   7.193
  259    HB3  TRP  28           HB3      TRP  28  -9.577   1.822   7.695
  260    HD1  TRP  28           HD1      TRP  28 -10.692   2.086   9.949
  261    HE1  TRP  28           HE1      TRP  28 -10.138   3.242  12.163
  262    HE3  TRP  28           HE3      TRP  28  -6.509   4.620   8.494
  263    HZ2  TRP  28           HZ2      TRP  28  -8.180   5.013  13.174
  264    HZ3  TRP  28           HZ3      TRP  28  -5.356   6.031  10.146
  265    HH2  TRP  28           HH2      TRP  28  -6.174   6.223  12.437
  266    H    ASP  29           H        ASP  29  -6.358   1.908   9.560
  267    HA   ASP  29           HA       ASP  29  -6.432  -1.037   9.441
  268    HB2  ASP  29           HB2      ASP  29  -4.126   0.098   9.164
  269    HB3  ASP  29           HB3      ASP  29  -4.250   0.473  10.869
  Start of MODEL    5
    1    H1   ARG   1           H1       ARG   1  -4.986   3.782  11.721
    2    H2   ARG   1           H2       ARG   1  -3.882   3.971  13.019
    3    H3   ARG   1           H3       ARG   1  -3.873   2.531  12.085
    4    HA   ARG   1           HA       ARG   1  -3.035   5.237  11.313
    5    HB2  ARG   1           HB2      ARG   1  -1.762   2.809  12.194
    6    HB3  ARG   1           HB3      ARG   1  -1.268   3.132  10.543
    7    HG2  ARG   1           HG2      ARG   1  -0.622   5.462  11.335
    8    HG3  ARG   1           HG3      ARG   1  -0.854   4.851  12.978
    9    HD2  ARG   1           HD2      ARG   1   0.998   3.655  10.922
   10    HD3  ARG   1           HD3      ARG   1   1.494   4.749  12.211
   11    HE   ARG   1           HE       ARG   1   0.317   2.808  13.607
   12   HH11  ARG   1          HH11      ARG   1   2.642   2.626  10.991
   13   HH12  ARG   1          HH12      ARG   1   3.337   1.144  11.551
   14   HH21  ARG   1          HH21      ARG   1   1.241   0.858  14.338
   15   HH22  ARG   1          HH22      ARG   1   2.543   0.139  13.450
   16    H    TRP   2           H        TRP   2  -1.928   5.098   9.097
   17    HA   TRP   2           HA       TRP   2  -3.864   3.973   7.197
   18    HB2  TRP   2           HB2      TRP   2  -1.945   6.290   7.028
   19    HB3  TRP   2           HB3      TRP   2  -2.786   5.684   5.646
   20    HD1  TRP   2           HD1      TRP   2  -3.080   8.185   8.221
   21    HE1  TRP   2           HE1      TRP   2  -5.475   9.148   8.322
   22    HE3  TRP   2           HE3      TRP   2  -5.385   4.696   5.411
   23    HZ2  TRP   2           HZ2      TRP   2  -8.039   8.468   7.292
   24    HZ3  TRP   2           HZ3      TRP   2  -7.809   4.886   4.977
   25    HH2  TRP   2           HH2      TRP   2  -9.108   6.739   5.907
   26    H    PHE   3           H        PHE   3  -3.043   3.104   5.164
   27    HA   PHE   3           HA       PHE   3  -0.313   2.631   4.695
   28    HB2  PHE   3           HB2      PHE   3  -0.135   0.262   4.967
   29    HB3  PHE   3           HB3      PHE   3  -0.509   1.060   6.471
   30    HD1  PHE   3           HD1      PHE   3  -3.232   1.185   6.844
   31    HD2  PHE   3           HD2      PHE   3  -1.096  -1.695   4.575
   32    HE1  PHE   3           HE1      PHE   3  -5.136  -0.364   7.032
   33    HE2  PHE   3           HE2      PHE   3  -2.983  -3.264   4.768
   34    HZ   PHE   3           HZ       PHE   3  -5.014  -2.592   5.993
   35    H    TYR   4           H        TYR   4   0.102   1.252   2.865
   36    HA   TYR   4           HA       TYR   4  -2.080   1.591   0.986
   37    HB2  TYR   4           HB2      TYR   4   0.730   1.208   0.125
   38    HB3  TYR   4           HB3      TYR   4  -0.495   2.295  -0.429
   39    HD1  TYR   4           HD2      TYR   4  -0.844   3.344   2.692
   40    HD2  TYR   4           HD1      TYR   4   2.310   3.029  -0.156
   41    HE1  TYR   4           HE2      TYR   4   0.286   5.117   3.812
   42    HE2  TYR   4           HE1      TYR   4   3.469   4.858   0.987
   43    HH   TYR   4           HH       TYR   4   2.273   6.986   2.795
   44    H    PHE   5           H        PHE   5  -2.770   0.032  -0.326
   45    HA   PHE   5           HA       PHE   5  -1.619  -2.658  -0.013
   46    HB2  PHE   5           HB2      PHE   5  -3.847  -2.325   1.029
   47    HB3  PHE   5           HB3      PHE   5  -4.500  -1.947  -0.541
   48    HD1  PHE   5           HD2      PHE   5  -2.282  -4.646   0.801
   49    HD2  PHE   5           HD1      PHE   5  -5.722  -3.617  -1.470
   50    HE1  PHE   5           HE2      PHE   5  -2.670  -7.017   0.315
   51    HE2  PHE   5           HE1      PHE   5  -6.104  -5.975  -1.981
   52    HZ   PHE   5           HZ       PHE   5  -4.580  -7.670  -1.083
   53    H    ASN   6           H        ASN   6  -1.015  -3.696  -1.830
   54    HA   ASN   6           HA       ASN   6  -1.864  -2.493  -4.378
   55    HB2  ASN   6           HB2      ASN   6   0.605  -2.620  -4.051
   56    HB3  ASN   6           HB3      ASN   6   0.485  -4.327  -3.734
   57   HD21  ASN   6          HD21      ASN   6  -0.761  -2.049  -6.192
   58   HD22  ASN   6          HD22      ASN   6  -0.357  -3.011  -7.562
   59    H    ARG   7           H        ARG   7  -3.760  -3.467  -4.866
   60    HA   ARG   7           HA       ARG   7  -4.484  -6.063  -4.255
   61    HB2  ARG   7           HB2      ARG   7  -5.358  -3.651  -5.471
   62    HB3  ARG   7           HB3      ARG   7  -5.858  -4.975  -6.434
   63    HG2  ARG   7           HG2      ARG   7  -6.455  -4.876  -3.496
   64    HG3  ARG   7           HG3      ARG   7  -7.395  -4.001  -4.681
   65    HD2  ARG   7           HD2      ARG   7  -8.014  -6.027  -5.843
   66    HD3  ARG   7           HD3      ARG   7  -6.903  -6.974  -4.833
   67    HE   ARG   7           HE       ARG   7  -8.936  -5.578  -3.274
   68   HH11  ARG   7          HH11      ARG   7  -8.262  -8.478  -5.153
   69   HH12  ARG   7          HH12      ARG   7  -9.464  -9.424  -4.343
   70   HH21  ARG   7          HH21      ARG   7 -10.508  -6.841  -2.226
   71   HH22  ARG   7          HH22      ARG   7 -10.740  -8.495  -2.683
   72    H    ILE   8           H        ILE   8  -2.159  -5.150  -6.511
   73    HA   ILE   8           HA       ILE   8  -2.906  -7.095  -8.541
   74    HB   ILE   8           HB       ILE   8  -0.433  -5.355  -8.279
   75   HG12  ILE   8          HG12      ILE   8  -2.907  -4.411  -8.852
   76   HG13  ILE   8          HG13      ILE   8  -1.423  -3.706  -9.465
   77   HG21  ILE   8          HG21      ILE   8  -1.298  -7.036 -10.626
   78   HG22  ILE   8          HG22      ILE   8   0.072  -7.348  -9.557
   79   HG23  ILE   8          HG23      ILE   8   0.070  -5.923 -10.596
   80   HD11  ILE   8          HD11      ILE   8  -2.252  -3.935 -11.496
   81   HD12  ILE   8          HD12      ILE   8  -3.611  -4.883 -10.900
   82   HD13  ILE   8          HD13      ILE   8  -2.095  -5.680 -11.320
   83    H    THR   9           H        THR   9  -0.202  -6.566  -6.278
   84    HA   THR   9           HA       THR   9   0.600  -9.352  -6.599
   85    HB   THR   9           HB       THR   9   2.686  -8.749  -5.597
   86    HG1  THR   9           HG1      THR   9   3.010  -6.628  -4.797
   87   HG21  THR   9          HG21      THR   9   3.548  -7.445  -7.240
   88   HG22  THR   9          HG22      THR   9   2.208  -6.297  -7.177
   89   HG23  THR   9          HG23      THR   9   1.996  -7.857  -7.972
   90    H    GLY  10           H        GLY  10  -0.886  -7.256  -4.413
   91    HA2  GLY  10           HA2      GLY  10  -2.208  -7.831  -2.579
   92    HA3  GLY  10           HA3      GLY  10  -1.435  -9.385  -2.579
   93    H    LYS  11           H        LYS  11   0.780  -6.755  -2.700
   94    HA   LYS  11           HA       LYS  11   1.582  -7.280   0.032
   95    HB2  LYS  11           HB2      LYS  11   2.853  -5.887  -2.311
   96    HB3  LYS  11           HB3      LYS  11   3.588  -5.943  -0.719
   97    HG2  LYS  11           HG2      LYS  11   2.794  -8.408  -2.220
   98    HG3  LYS  11           HG3      LYS  11   4.352  -7.629  -2.457
   99    HD2  LYS  11           HD2      LYS  11   3.269  -8.989  -0.020
  100    HD3  LYS  11           HD3      LYS  11   4.779  -9.296  -0.875
  101    HE2  LYS  11           HE2      LYS  11   5.362  -6.859  -0.159
  102    HE3  LYS  11           HE3      LYS  11   4.098  -7.104   1.045
  103    HZ1  LYS  11           HZ1      LYS  11   5.333  -9.157   1.713
  104    HZ2  LYS  11           HZ2      LYS  11   6.140  -7.707   2.037
  105    HZ3  LYS  11           HZ3      LYS  11   6.604  -8.654   0.715
  106    H    ARG  12           H        ARG  12   2.143  -5.408   1.427
  107    HA   ARG  12           HA       ARG  12   0.931  -2.894   0.902
  108    HB2  ARG  12           HB2      ARG  12  -0.703  -3.152   2.688
  109    HB3  ARG  12           HB3      ARG  12  -0.967  -4.277   1.392
  110    HG2  ARG  12           HG2      ARG  12   0.361  -4.938   4.004
  111    HG3  ARG  12           HG3      ARG  12  -1.337  -5.206   3.650
  112    HD2  ARG  12           HD2      ARG  12  -0.760  -7.220   2.920
  113    HD3  ARG  12           HD3      ARG  12  -0.043  -6.411   1.530
  114    HE   ARG  12           HE       ARG  12   1.846  -6.387   3.571
  115   HH11  ARG  12          HH11      ARG  12   0.198  -8.752   1.583
  116   HH12  ARG  12          HH12      ARG  12   1.496  -9.896   1.654
  117   HH21  ARG  12          HH21      ARG  12   3.552  -7.899   3.658
  118   HH22  ARG  12          HH22      ARG  12   3.398  -9.413   2.832
  119    H    GLN  13           H        GLN  13   1.628  -1.281   2.381
  120    HA   GLN  13           HA       GLN  13   2.624  -1.874   4.949
  121    HB2  GLN  13           HB2      GLN  13   4.781  -0.580   4.283
  122    HB3  GLN  13           HB3      GLN  13   4.723  -2.315   4.289
  123    HG2  GLN  13           HG2      GLN  13   5.769  -0.830   2.338
  124    HG3  GLN  13           HG3      GLN  13   5.101  -2.395   2.124
  125   HE21  GLN  13          HE21      GLN  13   3.934   0.941   2.078
  126   HE22  GLN  13          HE22      GLN  13   2.905   0.719   0.725
  127    H    PHE  14           H        PHE  14   3.681   0.067   5.913
  128    HA   PHE  14           HA       PHE  14   2.010   2.403   5.498
  129    HB2  PHE  14           HB2      PHE  14   2.728   1.516   7.817
  130    HB3  PHE  14           HB3      PHE  14   4.364   1.986   7.391
  131    HD1  PHE  14           HD1      PHE  14   1.227   3.844   6.744
  132    HD2  PHE  14           HD2      PHE  14   4.867   3.640   8.897
  133    HE1  PHE  14           HE1      PHE  14   0.829   6.100   7.593
  134    HE2  PHE  14           HE2      PHE  14   4.486   5.906   9.768
  135    HZ   PHE  14           HZ       PHE  14   2.462   7.133   9.112
  136    H    GLU  15           H        GLU  15   5.160   1.166   4.740
  137    HA   GLU  15           HA       GLU  15   6.505   3.593   4.135
  138    HB2  GLU  15           HB2      GLU  15   7.140   0.957   4.390
  139    HB3  GLU  15           HB3      GLU  15   7.270   1.190   2.698
  140    HG2  GLU  15           HG2      GLU  15   8.531   3.343   4.045
  141    HG3  GLU  15           HG3      GLU  15   9.105   1.825   4.722
  142    H    ARG  16           H        ARG  16   7.567   3.392   1.930
  143    HA   ARG  16           HA       ARG  16   5.909   4.423  -0.049
  144    HB2  ARG  16           HB2      ARG  16   8.263   4.792  -0.083
  145    HB3  ARG  16           HB3      ARG  16   8.612   3.081   0.001
  146    HG2  ARG  16           HG2      ARG  16   7.657   2.820  -2.242
  147    HG3  ARG  16           HG3      ARG  16   7.513   4.572  -2.358
  148    HD2  ARG  16           HD2      ARG  16   9.624   3.297  -3.308
  149    HD3  ARG  16           HD3      ARG  16   9.766   4.882  -2.555
  150    HE   ARG  16           HE       ARG  16  10.902   3.926  -0.799
  151   HH11  ARG  16          HH11      ARG  16   9.509   1.389  -2.772
  152   HH12  ARG  16          HH12      ARG  16  10.382   0.125  -1.975
  153   HH21  ARG  16          HH21      ARG  16  12.042   2.255   0.250
  154   HH22  ARG  16          HH22      ARG  16  11.816   0.614  -0.257
  155    HA   PRO  17           HA       PRO  17   3.737   0.967  -1.763
  156    HB2  PRO  17           HB2      PRO  17   4.410   1.175  -4.449
  157    HB3  PRO  17           HB3      PRO  17   3.080   2.020  -3.659
  158    HG2  PRO  17           HG2      PRO  17   5.837   2.992  -4.265
  159    HG3  PRO  17           HG3      PRO  17   4.294   3.853  -4.407
  160    HD2  PRO  17           HD2      PRO  17   5.908   4.326  -2.360
  161    HD3  PRO  17           HD3      PRO  17   4.175   4.190  -2.121
  162    H    LYS  18           H        LYS  18   4.210  -1.131  -1.943
  163    HA   LYS  18           HA       LYS  18   6.954  -1.977  -1.934
  164    HB2  LYS  18           HB2      LYS  18   4.572  -3.204  -1.100
  165    HB3  LYS  18           HB3      LYS  18   5.081  -4.158  -2.476
  166    HG2  LYS  18           HG2      LYS  18   6.364  -3.796   0.177
  167    HG3  LYS  18           HG3      LYS  18   6.095  -5.263  -0.760
  168    HD2  LYS  18           HD2      LYS  18   8.290  -5.126  -1.214
  169    HD3  LYS  18           HD3      LYS  18   7.807  -3.896  -2.382
  170    HE2  LYS  18           HE2      LYS  18   7.979  -2.402  -0.136
  171    HE3  LYS  18           HE3      LYS  18   9.203  -3.624   0.202
  172    HZ1  LYS  18           HZ1      LYS  18  10.168  -1.731  -0.920
  173    HZ2  LYS  18           HZ2      LYS  18   9.089  -1.895  -2.211
  174    HZ3  LYS  18           HZ3      LYS  18  10.250  -3.092  -1.923
  175    H    GLY  19           H        GLY  19   6.874  -0.603  -4.027
  176    HA2  GLY  19           HA2      GLY  19   7.992  -1.736  -6.104
  177    HA3  GLY  19           HA3      GLY  19   6.321  -2.171  -6.408
  178    H    LEU  20           H        LEU  20   6.061   0.887  -4.996
  179    HA   LEU  20           HA       LEU  20   5.506   2.913  -5.948
  180    HB2  LEU  20           HB2      LEU  20   8.132   2.137  -6.748
  181    HB3  LEU  20           HB3      LEU  20   7.430   3.100  -8.021
  182    HG   LEU  20           HG       LEU  20   7.621   4.078  -5.154
  183   HD11  LEU  20          HD11      LEU  20   9.629   5.273  -5.822
  184   HD12  LEU  20          HD12      LEU  20   9.590   4.476  -7.395
  185   HD13  LEU  20          HD13      LEU  20   9.853   3.527  -5.931
  186   HD21  LEU  20          HD21      LEU  20   6.576   5.147  -7.657
  187   HD22  LEU  20          HD22      LEU  20   7.803   6.190  -6.943
  188   HD23  LEU  20          HD23      LEU  20   6.379   5.744  -6.006
  189    H    VAL  21           H        VAL  21   3.752   1.371  -6.768
  190    HA   VAL  21           HA       VAL  21   3.393   1.775  -9.583
  191    HB   VAL  21           HB       VAL  21   2.231  -0.735  -8.656
  192   HG11  VAL  21          HG11      VAL  21   2.108  -1.008 -10.874
  193   HG12  VAL  21          HG12      VAL  21   3.869  -1.015 -10.956
  194   HG13  VAL  21          HG13      VAL  21   2.985   0.500 -11.134
  195   HG21  VAL  21          HG21      VAL  21   5.076  -0.773  -9.343
  196   HG22  VAL  21          HG22      VAL  21   4.111  -1.899  -8.392
  197   HG23  VAL  21          HG23      VAL  21   4.595  -0.353  -7.712
  198    H    LYS  22           H        LYS  22   1.240   0.661 -10.103
  199    HA   LYS  22           HA       LYS  22  -0.854   2.288  -8.883
  200    HB2  LYS  22           HB2      LYS  22  -0.616   0.838 -11.522
  201    HB3  LYS  22           HB3      LYS  22  -2.179   1.366 -10.915
  202    HG2  LYS  22           HG2      LYS  22  -1.780   3.529 -11.378
  203    HG3  LYS  22           HG3      LYS  22  -0.075   3.422 -10.935
  204    HD2  LYS  22           HD2      LYS  22   0.489   2.452 -13.040
  205    HD3  LYS  22           HD3      LYS  22  -1.211   2.242 -13.465
  206    HE2  LYS  22           HE2      LYS  22  -0.192   4.981 -12.865
  207    HE3  LYS  22           HE3      LYS  22   0.186   4.251 -14.425
  208    HZ1  LYS  22           HZ1      LYS  22  -2.546   4.627 -13.317
  209    HZ2  LYS  22           HZ2      LYS  22  -2.175   3.949 -14.822
  210    HZ3  LYS  22           HZ3      LYS  22  -1.833   5.578 -14.522
  211    H    GLY  23           H        GLY  23  -3.091   0.940  -8.898
  212    HA2  GLY  23           HA2      GLY  23  -4.160  -1.196  -8.269
  213    HA3  GLY  23           HA3      GLY  23  -2.554  -1.869  -8.075
  214    H    TRP  24           H        TRP  24  -1.499   0.279  -6.582
  215    HA   TRP  24           HA       TRP  24  -1.876  -0.477  -3.982
  216    HB2  TRP  24           HB2      TRP  24  -0.696   1.930  -5.368
  217    HB3  TRP  24           HB3      TRP  24  -0.581   1.713  -3.644
  218    HD1  TRP  24           HD1      TRP  24   1.228   0.817  -6.754
  219    HE1  TRP  24           HE1      TRP  24   3.041  -0.856  -6.237
  220    HE3  TRP  24           HE3      TRP  24  -0.225  -0.529  -2.061
  221    HZ2  TRP  24           HZ2      TRP  24   3.777  -2.604  -4.177
  222    HZ3  TRP  24           HZ3      TRP  24   1.062  -2.302  -0.941
  223    HH2  TRP  24           HH2      TRP  24   3.033  -3.250  -1.940
  224    H    GLU  25           H        GLU  25  -3.143   0.319  -2.266
  225    HA   GLU  25           HA       GLU  25  -4.682   2.771  -2.682
  226    HB2  GLU  25           HB2      GLU  25  -5.914   0.062  -2.662
  227    HB3  GLU  25           HB3      GLU  25  -6.711   1.293  -1.694
  228    HG2  GLU  25           HG2      GLU  25  -7.502   2.366  -3.480
  229    HG3  GLU  25           HG3      GLU  25  -5.997   2.188  -4.380
  230    H    LYS  26           H        LYS  26  -4.502   3.940  -0.882
  231    HA   LYS  26           HA       LYS  26  -3.532   2.693   1.500
  232    HB2  LYS  26           HB2      LYS  26  -2.650   4.986   1.111
  233    HB3  LYS  26           HB3      LYS  26  -4.256   5.585   0.817
  234    HG2  LYS  26           HG2      LYS  26  -4.833   5.445   3.158
  235    HG3  LYS  26           HG3      LYS  26  -3.253   4.744   3.528
  236    HD2  LYS  26           HD2      LYS  26  -3.415   7.363   2.091
  237    HD3  LYS  26           HD3      LYS  26  -3.681   7.298   3.841
  238    HE2  LYS  26           HE2      LYS  26  -1.489   6.134   4.111
  239    HE3  LYS  26           HE3      LYS  26  -1.225   6.329   2.371
  240    HZ1  LYS  26           HZ1      LYS  26  -1.555   8.535   4.332
  241    HZ2  LYS  26           HZ2      LYS  26  -1.331   8.734   2.667
  242    HZ3  LYS  26           HZ3      LYS  26  -0.102   8.054   3.610
  243    H    ARG  27           H        ARG  27  -4.619   1.964   3.201
  244    HA   ARG  27           HA       ARG  27  -7.434   2.739   3.542
  245    HB2  ARG  27           HB2      ARG  27  -6.689   0.321   2.620
  246    HB3  ARG  27           HB3      ARG  27  -6.637  -0.075   4.293
  247    HG2  ARG  27           HG2      ARG  27  -9.146   1.155   3.159
  248    HG3  ARG  27           HG3      ARG  27  -8.723  -0.471   2.704
  249    HD2  ARG  27           HD2      ARG  27  -9.309   0.556   5.470
  250    HD3  ARG  27           HD3      ARG  27 -10.185  -0.649   4.538
  251    HE   ARG  27           HE       ARG  27  -7.515  -1.482   4.977
  252   HH11  ARG  27          HH11      ARG  27 -10.601  -1.167   6.598
  253   HH12  ARG  27          HH12      ARG  27 -10.289  -2.461   7.705
  254   HH21  ARG  27          HH21      ARG  27  -7.109  -3.184   6.436
  255   HH22  ARG  27          HH22      ARG  27  -8.306  -3.606   7.613
  256    H    TRP  28           H        TRP  28  -8.205   1.837   5.703
  257    HA   TRP  28           HA       TRP  28  -6.492   2.966   7.767
  258    HB2  TRP  28           HB2      TRP  28  -9.000   3.461   7.475
  259    HB3  TRP  28           HB3      TRP  28  -9.272   1.873   8.162
  260    HD1  TRP  28           HD1      TRP  28 -10.080   2.239  10.504
  261    HE1  TRP  28           HE1      TRP  28  -9.374   3.640  12.527
  262    HE3  TRP  28           HE3      TRP  28  -6.311   4.900   8.337
  263    HZ2  TRP  28           HZ2      TRP  28  -7.462   5.636  13.131
  264    HZ3  TRP  28           HZ3      TRP  28  -5.094   6.544   9.703
  265    HH2  TRP  28           HH2      TRP  28  -5.658   6.904  12.049
  266    H    ASP  29           H        ASP  29  -5.756   1.898   9.593
  267    HA   ASP  29           HA       ASP  29  -6.265  -0.988   9.775
  268    HB2  ASP  29           HB2      ASP  29  -3.907  -1.442  10.242
  269    HB3  ASP  29           HB3      ASP  29  -4.099  -0.726   8.663
  Start of MODEL    6
    1    H1   ARG   1           H1       ARG   1  -5.919   6.664   9.997
    2    H2   ARG   1           H2       ARG   1  -4.403   7.436   9.766
    3    H3   ARG   1           H3       ARG   1  -4.756   6.664  11.257
    4    HA   ARG   1           HA       ARG   1  -3.253   5.360   9.939
    5    HB2  ARG   1           HB2      ARG   1  -5.951   4.567  10.813
    6    HB3  ARG   1           HB3      ARG   1  -5.278   3.463   9.637
    7    HG2  ARG   1           HG2      ARG   1  -3.360   3.093  11.040
    8    HG3  ARG   1           HG3      ARG   1  -3.937   4.262  12.208
    9    HD2  ARG   1           HD2      ARG   1  -6.018   2.392  11.722
   10    HD3  ARG   1           HD3      ARG   1  -4.533   1.495  12.031
   11    HE   ARG   1           HE       ARG   1  -5.955   3.230  13.888
   12   HH11  ARG   1          HH11      ARG   1  -3.114   1.283  13.247
   13   HH12  ARG   1          HH12      ARG   1  -2.660   1.178  14.913
   14   HH21  ARG   1          HH21      ARG   1  -5.350   3.086  16.080
   15   HH22  ARG   1          HH22      ARG   1  -3.928   2.200  16.521
   16    H    TRP   2           H        TRP   2  -2.658   4.801   8.045
   17    HA   TRP   2           HA       TRP   2  -4.264   4.617   5.677
   18    HB2  TRP   2           HB2      TRP   2  -2.601   6.403   4.785
   19    HB3  TRP   2           HB3      TRP   2  -3.650   6.959   5.970
   20    HD1  TRP   2           HD1      TRP   2  -2.269   8.522   7.513
   21    HE1  TRP   2           HE1      TRP   2   0.095   8.465   8.575
   22    HE3  TRP   2           HE3      TRP   2  -0.791   4.518   5.321
   23    HZ2  TRP   2           HZ2      TRP   2   2.346   6.557   8.473
   24    HZ3  TRP   2           HZ3      TRP   2   1.135   3.385   5.784
   25    HH2  TRP   2           HH2      TRP   2   2.876   4.409   7.314
   26    H    PHE   3           H        PHE   3  -2.625   4.059   3.734
   27    HA   PHE   3           HA       PHE   3  -0.131   3.012   4.114
   28    HB2  PHE   3           HB2      PHE   3  -0.152   0.693   4.449
   29    HB3  PHE   3           HB3      PHE   3  -1.160   1.356   5.650
   30    HD1  PHE   3           HD1      PHE   3  -2.853   1.105   2.483
   31    HD2  PHE   3           HD2      PHE   3  -1.650  -1.134   5.887
   32    HE1  PHE   3           HE1      PHE   3  -4.465  -0.615   1.909
   33    HE2  PHE   3           HE2      PHE   3  -3.286  -2.863   5.324
   34    HZ   PHE   3           HZ       PHE   3  -4.709  -2.607   3.323
   35    H    TYR   4           H        TYR   4  -0.194   0.570   2.497
   36    HA   TYR   4           HA       TYR   4  -1.392   1.502   0.045
   37    HB2  TYR   4           HB2      TYR   4   1.489   0.877   0.173
   38    HB3  TYR   4           HB3      TYR   4   0.601   1.708  -1.047
   39    HD1  TYR   4           HD2      TYR   4   1.791   1.961   2.403
   40    HD2  TYR   4           HD1      TYR   4   0.272   4.064  -0.964
   41    HE1  TYR   4           HE2      TYR   4   2.298   4.052   3.507
   42    HE2  TYR   4           HE1      TYR   4   0.686   6.193   0.176
   43    HH   TYR   4           HH       TYR   4   1.237   6.527   3.339
   44    H    PHE   5           H        PHE   5  -2.572  -0.222  -0.085
   45    HA   PHE   5           HA       PHE   5  -1.398  -2.892  -0.033
   46    HB2  PHE   5           HB2      PHE   5  -3.476  -2.562   1.240
   47    HB3  PHE   5           HB3      PHE   5  -4.308  -2.067  -0.212
   48    HD1  PHE   5           HD2      PHE   5  -2.111  -4.920   0.791
   49    HD2  PHE   5           HD1      PHE   5  -5.667  -3.639  -1.150
   50    HE1  PHE   5           HE2      PHE   5  -2.657  -7.243   0.256
   51    HE2  PHE   5           HE1      PHE   5  -6.204  -5.956  -1.714
   52    HZ   PHE   5           HZ       PHE   5  -4.692  -7.749  -1.024
   53    H    ASN   6           H        ASN   6  -0.853  -3.825  -1.893
   54    HA   ASN   6           HA       ASN   6  -1.919  -2.623  -4.342
   55    HB2  ASN   6           HB2      ASN   6   0.571  -2.775  -4.112
   56    HB3  ASN   6           HB3      ASN   6   0.448  -4.502  -3.932
   57   HD21  ASN   6          HD21      ASN   6  -0.944  -2.048  -6.126
   58   HD22  ASN   6          HD22      ASN   6  -0.560  -2.869  -7.591
   59    H    ARG   7           H        ARG   7  -3.709  -3.545  -4.932
   60    HA   ARG   7           HA       ARG   7  -4.596  -6.110  -4.252
   61    HB2  ARG   7           HB2      ARG   7  -6.486  -5.605  -5.507
   62    HB3  ARG   7           HB3      ARG   7  -5.854  -4.034  -5.028
   63    HG2  ARG   7           HG2      ARG   7  -5.055  -3.546  -7.099
   64    HG3  ARG   7           HG3      ARG   7  -5.062  -5.217  -7.624
   65    HD2  ARG   7           HD2      ARG   7  -7.546  -5.209  -7.588
   66    HD3  ARG   7           HD3      ARG   7  -7.505  -3.491  -7.135
   67    HE   ARG   7           HE       ARG   7  -6.012  -4.014  -9.569
   68   HH11  ARG   7          HH11      ARG   7  -9.251  -3.499  -8.292
   69   HH12  ARG   7          HH12      ARG   7  -9.877  -2.908  -9.794
   70   HH21  ARG   7          HH21      ARG   7  -6.857  -3.234 -11.531
   71   HH22  ARG   7          HH22      ARG   7  -8.519  -2.758 -11.632
   72    H    ILE   8           H        ILE   8  -2.455  -5.083  -6.708
   73    HA   ILE   8           HA       ILE   8  -2.954  -7.212  -8.572
   74    HB   ILE   8           HB       ILE   8  -0.597  -5.320  -8.322
   75   HG12  ILE   8          HG12      ILE   8  -3.127  -4.586  -9.051
   76   HG13  ILE   8          HG13      ILE   8  -1.664  -3.785  -9.585
   77   HG21  ILE   8          HG21      ILE   8  -1.264  -7.194 -10.583
   78   HG22  ILE   8          HG22      ILE   8   0.118  -7.293  -9.489
   79   HG23  ILE   8          HG23      ILE   8  -0.016  -5.949 -10.622
   80   HD11  ILE   8          HD11      ILE   8  -2.166  -4.219 -11.679
   81   HD12  ILE   8          HD12      ILE   8  -3.672  -4.961 -11.144
   82   HD13  ILE   8          HD13      ILE   8  -2.227  -5.951 -11.356
   83    H    THR   9           H        THR   9  -0.345  -6.544  -6.227
   84    HA   THR   9           HA       THR   9   0.617  -9.277  -6.559
   85    HB   THR   9           HB       THR   9   2.635  -8.575  -5.477
   86    HG1  THR   9           HG1      THR   9   2.787  -6.384  -4.710
   87   HG21  THR   9          HG21      THR   9   3.468  -7.103  -7.033
   88   HG22  THR   9          HG22      THR   9   1.964  -6.179  -7.107
   89   HG23  THR   9          HG23      THR   9   2.059  -7.768  -7.865
   90    H    GLY  10           H        GLY  10  -1.044  -7.307  -4.389
   91    HA2  GLY  10           HA2      GLY  10  -2.402  -7.967  -2.632
   92    HA3  GLY  10           HA3      GLY  10  -1.590  -9.496  -2.632
   93    H    LYS  11           H        LYS  11   0.668  -6.960  -2.581
   94    HA   LYS  11           HA       LYS  11   1.225  -7.449   0.219
   95    HB2  LYS  11           HB2      LYS  11   2.740  -6.168  -2.034
   96    HB3  LYS  11           HB3      LYS  11   3.344  -6.224  -0.393
   97    HG2  LYS  11           HG2      LYS  11   2.557  -8.684  -1.909
   98    HG3  LYS  11           HG3      LYS  11   4.164  -7.983  -2.029
   99    HD2  LYS  11           HD2      LYS  11   2.821  -9.233   0.338
  100    HD3  LYS  11           HD3      LYS  11   4.373  -9.640  -0.390
  101    HE2  LYS  11           HE2      LYS  11   5.046  -7.232   0.321
  102    HE3  LYS  11           HE3      LYS  11   3.668  -7.357   1.415
  103    HZ1  LYS  11           HZ1      LYS  11   6.104  -9.041   1.360
  104    HZ2  LYS  11           HZ2      LYS  11   4.714  -9.486   2.215
  105    HZ3  LYS  11           HZ3      LYS  11   5.538  -8.066   2.622
  106    H    ARG  12           H        ARG  12   1.822  -5.615   1.606
  107    HA   ARG  12           HA       ARG  12   0.988  -3.009   1.021
  108    HB2  ARG  12           HB2      ARG  12  -0.727  -2.961   2.763
  109    HB3  ARG  12           HB3      ARG  12  -1.142  -4.002   1.432
  110    HG2  ARG  12           HG2      ARG  12  -0.183  -4.843   4.153
  111    HG3  ARG  12           HG3      ARG  12  -1.821  -4.953   3.542
  112    HD2  ARG  12           HD2      ARG  12  -1.317  -7.041   2.968
  113    HD3  ARG  12           HD3      ARG  12  -0.407  -6.327   1.641
  114    HE   ARG  12           HE       ARG  12   1.244  -6.414   3.903
  115   HH11  ARG  12          HH11      ARG  12  -0.283  -8.622   1.656
  116   HH12  ARG  12          HH12      ARG  12   0.935  -9.839   1.835
  117   HH21  ARG  12          HH21      ARG  12   2.845  -8.020   4.133
  118   HH22  ARG  12          HH22      ARG  12   2.710  -9.499   3.242
  119    H    GLN  13           H        GLN  13   1.774  -1.530   2.539
  120    HA   GLN  13           HA       GLN  13   2.747  -2.379   5.091
  121    HB2  GLN  13           HB2      GLN  13   4.831  -0.863   4.425
  122    HB3  GLN  13           HB3      GLN  13   4.868  -2.600   4.456
  123    HG2  GLN  13           HG2      GLN  13   5.797  -1.138   2.463
  124    HG3  GLN  13           HG3      GLN  13   5.143  -2.707   2.282
  125   HE21  GLN  13          HE21      GLN  13   3.802   0.537   2.412
  126   HE22  GLN  13          HE22      GLN  13   2.799   0.341   1.047
  127    H    PHE  14           H        PHE  14   3.772  -0.492   6.188
  128    HA   PHE  14           HA       PHE  14   1.928   1.681   6.127
  129    HB2  PHE  14           HB2      PHE  14   4.446   1.164   7.768
  130    HB3  PHE  14           HB3      PHE  14   3.360   2.472   7.989
  131    HD1  PHE  14           HD2      PHE  14   0.725   1.599   8.070
  132    HD2  PHE  14           HD1      PHE  14   4.204  -0.530   9.312
  133    HE1  PHE  14           HE2      PHE  14  -0.641   0.171   9.475
  134    HE2  PHE  14           HE1      PHE  14   2.816  -1.953  10.741
  135    HZ   PHE  14           HZ       PHE  14   0.390  -1.599  10.824
  136    H    GLU  15           H        GLU  15   5.102   0.881   5.034
  137    HA   GLU  15           HA       GLU  15   6.010   3.530   4.474
  138    HB2  GLU  15           HB2      GLU  15   7.076   1.010   4.533
  139    HB3  GLU  15           HB3      GLU  15   7.080   1.388   2.866
  140    HG2  GLU  15           HG2      GLU  15   8.033   3.604   4.383
  141    HG3  GLU  15           HG3      GLU  15   8.906   2.144   4.832
  142    H    ARG  16           H        ARG  16   6.840   3.665   2.223
  143    HA   ARG  16           HA       ARG  16   4.936   4.448   0.403
  144    HB2  ARG  16           HB2      ARG  16   7.180   5.166   0.184
  145    HB3  ARG  16           HB3      ARG  16   7.803   3.534   0.240
  146    HG2  ARG  16           HG2      ARG  16   6.553   3.205  -1.953
  147    HG3  ARG  16           HG3      ARG  16   6.536   4.966  -2.045
  148    HD2  ARG  16           HD2      ARG  16   8.996   3.249  -1.712
  149    HD3  ARG  16           HD3      ARG  16   8.458   3.957  -3.233
  150    HE   ARG  16           HE       ARG  16   8.665   6.125  -1.687
  151   HH11  ARG  16          HH11      ARG  16  10.880   3.456  -2.183
  152   HH12  ARG  16          HH12      ARG  16  12.290   4.412  -1.875
  153   HH21  ARG  16          HH21      ARG  16  10.528   7.375  -1.284
  154   HH22  ARG  16          HH22      ARG  16  12.091   6.635  -1.365
  155    HA   PRO  17           HA       PRO  17   3.085   0.883  -1.466
  156    HB2  PRO  17           HB2      PRO  17   3.856   1.256  -4.132
  157    HB3  PRO  17           HB3      PRO  17   2.380   1.849  -3.379
  158    HG2  PRO  17           HG2      PRO  17   4.947   3.271  -3.871
  159    HG3  PRO  17           HG3      PRO  17   3.290   3.890  -3.944
  160    HD2  PRO  17           HD2      PRO  17   4.859   4.466  -1.878
  161    HD3  PRO  17           HD3      PRO  17   3.167   4.079  -1.641
  162    H    LYS  18           H        LYS  18   3.763  -1.173  -1.631
  163    HA   LYS  18           HA       LYS  18   6.584  -1.746  -1.622
  164    HB2  LYS  18           HB2      LYS  18   4.270  -3.255  -0.880
  165    HB3  LYS  18           HB3      LYS  18   5.052  -4.138  -2.172
  166    HG2  LYS  18           HG2      LYS  18   6.052  -3.499   0.560
  167    HG3  LYS  18           HG3      LYS  18   6.026  -5.035  -0.303
  168    HD2  LYS  18           HD2      LYS  18   7.748  -4.054  -1.868
  169    HD3  LYS  18           HD3      LYS  18   7.884  -2.705  -0.739
  170    HE2  LYS  18           HE2      LYS  18   9.591  -4.104  -0.046
  171    HE3  LYS  18           HE3      LYS  18   8.273  -4.550   1.036
  172    HZ1  LYS  18           HZ1      LYS  18   9.396  -6.496   0.141
  173    HZ2  LYS  18           HZ2      LYS  18   9.039  -6.008  -1.438
  174    HZ3  LYS  18           HZ3      LYS  18   7.789  -6.441  -0.384
  175    H    GLY  19           H        GLY  19   6.246  -0.354  -3.741
  176    HA2  GLY  19           HA2      GLY  19   7.450  -1.507  -5.841
  177    HA3  GLY  19           HA3      GLY  19   5.756  -1.845  -6.138
  178    H    LEU  20           H        LEU  20   5.478   1.129  -4.666
  179    HA   LEU  20           HA       LEU  20   5.039   3.211  -5.530
  180    HB2  LEU  20           HB2      LEU  20   7.682   2.423  -6.251
  181    HB3  LEU  20           HB3      LEU  20   7.057   3.457  -7.508
  182    HG   LEU  20           HG       LEU  20   7.131   4.294  -4.593
  183   HD11  LEU  20          HD11      LEU  20   9.188   5.458  -5.074
  184   HD12  LEU  20          HD12      LEU  20   9.196   4.820  -6.718
  185   HD13  LEU  20          HD13      LEU  20   9.388   3.727  -5.347
  186   HD21  LEU  20          HD21      LEU  20   7.424   6.482  -6.282
  187   HD22  LEU  20          HD22      LEU  20   5.964   6.029  -5.408
  188   HD23  LEU  20          HD23      LEU  20   6.198   5.495  -7.075
  189    H    VAL  21           H        VAL  21   3.316   1.701  -6.524
  190    HA   VAL  21           HA       VAL  21   2.968   2.425  -9.265
  191    HB   VAL  21           HB       VAL  21   1.984  -0.262  -8.757
  192   HG11  VAL  21          HG11      VAL  21   3.658  -0.044 -11.048
  193   HG12  VAL  21          HG12      VAL  21   2.632   1.390 -10.994
  194   HG13  VAL  21          HG13      VAL  21   1.904  -0.216 -10.990
  195   HG21  VAL  21          HG21      VAL  21   4.826  -0.022  -9.396
  196   HG22  VAL  21          HG22      VAL  21   3.926  -1.334  -8.637
  197   HG23  VAL  21          HG23      VAL  21   4.312   0.123  -7.727
  198    H    LYS  22           H        LYS  22   0.873   1.230  -9.945
  199    HA   LYS  22           HA       LYS  22  -1.291   2.582  -8.551
  200    HB2  LYS  22           HB2      LYS  22  -1.073   1.256 -11.261
  201    HB3  LYS  22           HB3      LYS  22  -2.623   1.738 -10.585
  202    HG2  LYS  22           HG2      LYS  22  -2.301   3.717 -11.528
  203    HG3  LYS  22           HG3      LYS  22  -1.042   3.999 -10.325
  204    HD2  LYS  22           HD2      LYS  22  -0.238   2.409 -12.677
  205    HD3  LYS  22           HD3      LYS  22  -0.630   4.100 -12.992
  206    HE2  LYS  22           HE2      LYS  22   1.237   3.278 -10.785
  207    HE3  LYS  22           HE3      LYS  22   1.799   3.534 -12.436
  208    HZ1  LYS  22           HZ1      LYS  22   2.101   5.534 -11.187
  209    HZ2  LYS  22           HZ2      LYS  22   0.489   5.536 -10.677
  210    HZ3  LYS  22           HZ3      LYS  22   0.860   5.800 -12.306
  211    H    GLY  23           H        GLY  23  -3.428   1.135  -8.539
  212    HA2  GLY  23           HA2      GLY  23  -4.387  -1.077  -8.003
  213    HA3  GLY  23           HA3      GLY  23  -2.750  -1.696  -7.920
  214    H    TRP  24           H        TRP  24  -1.653   0.328  -6.331
  215    HA   TRP  24           HA       TRP  24  -1.939  -0.593  -3.774
  216    HB2  TRP  24           HB2      TRP  24  -0.807   1.929  -4.995
  217    HB3  TRP  24           HB3      TRP  24  -0.586   1.513  -3.319
  218    HD1  TRP  24           HD1      TRP  24   0.924   0.895  -6.660
  219    HE1  TRP  24           HE1      TRP  24   2.776  -0.814  -6.463
  220    HE3  TRP  24           HE3      TRP  24  -0.009  -0.771  -1.958
  221    HZ2  TRP  24           HZ2      TRP  24   3.708  -2.709  -4.649
  222    HZ3  TRP  24           HZ3      TRP  24   1.369  -2.644  -1.118
  223    HH2  TRP  24           HH2      TRP  24   3.216  -3.525  -2.396
  224    H    GLU  25           H        GLU  25  -3.003   0.176  -1.935
  225    HA   GLU  25           HA       GLU  25  -4.797   2.503  -2.235
  226    HB2  GLU  25           HB2      GLU  25  -5.747  -0.176  -2.178
  227    HB3  GLU  25           HB3      GLU  25  -6.115   0.524  -0.608
  228    HG2  GLU  25           HG2      GLU  25  -7.942   1.323  -1.582
  229    HG3  GLU  25           HG3      GLU  25  -6.877   2.506  -2.337
  230    H    LYS  26           H        LYS  26  -4.987   3.767  -0.367
  231    HA   LYS  26           HA       LYS  26  -3.176   2.967   1.726
  232    HB2  LYS  26           HB2      LYS  26  -3.319   5.382   0.472
  233    HB3  LYS  26           HB3      LYS  26  -4.526   5.673   1.687
  234    HG2  LYS  26           HG2      LYS  26  -2.993   5.908   3.387
  235    HG3  LYS  26           HG3      LYS  26  -1.701   5.073   2.519
  236    HD2  LYS  26           HD2      LYS  26  -1.349   6.870   1.072
  237    HD3  LYS  26           HD3      LYS  26  -2.903   7.612   1.490
  238    HE2  LYS  26           HE2      LYS  26  -2.130   8.211   3.694
  239    HE3  LYS  26           HE3      LYS  26  -0.651   7.266   3.468
  240    HZ1  LYS  26           HZ1      LYS  26  -1.379   9.681   1.900
  241    HZ2  LYS  26           HZ2      LYS  26   0.057   8.798   1.760
  242    HZ3  LYS  26           HZ3      LYS  26  -0.277   9.647   3.184
  243    H    ARG  27           H        ARG  27  -3.640   2.157   3.581
  244    HA   ARG  27           HA       ARG  27  -5.705   2.901   5.262
  245    HB2  ARG  27           HB2      ARG  27  -6.880   1.702   3.317
  246    HB3  ARG  27           HB3      ARG  27  -6.358   0.220   4.078
  247    HG2  ARG  27           HG2      ARG  27  -7.453   1.152   6.190
  248    HG3  ARG  27           HG3      ARG  27  -8.206   2.341   5.132
  249    HD2  ARG  27           HD2      ARG  27  -9.624   0.344   5.626
  250    HD3  ARG  27           HD3      ARG  27  -9.363   0.646   3.910
  251    HE   ARG  27           HE       ARG  27  -7.429  -1.177   4.896
  252   HH11  ARG  27          HH11      ARG  27 -10.819  -0.995   4.040
  253   HH12  ARG  27          HH12      ARG  27 -10.937  -2.678   3.655
  254   HH21  ARG  27          HH21      ARG  27  -7.590  -3.392   4.389
  255   HH22  ARG  27          HH22      ARG  27  -9.104  -4.040   3.853
  256    H    TRP  28           H        TRP  28  -3.999   2.761   6.433
  257    HA   TRP  28           HA       TRP  28  -2.141   0.992   7.178
  258    HB2  TRP  28           HB2      TRP  28  -2.374   3.201   8.096
  259    HB3  TRP  28           HB3      TRP  28  -3.796   2.760   8.945
  260    HD1  TRP  28           HD1      TRP  28  -2.423   0.390  10.496
  261    HE1  TRP  28           HE1      TRP  28  -0.929   1.092  12.485
  262    HE3  TRP  28           HE3      TRP  28  -1.426   5.004   8.927
  263    HZ2  TRP  28           HZ2      TRP  28   0.448   3.527  13.264
  264    HZ3  TRP  28           HZ3      TRP  28  -0.155   6.534  10.269
  265    HH2  TRP  28           HH2      TRP  28   0.768   5.813  12.388
  266    H    ASP  29           H        ASP  29  -5.371   0.647   7.533
  267    HA   ASP  29           HA       ASP  29  -6.828  -0.829   8.622
  268    HB2  ASP  29           HB2      ASP  29  -5.591  -2.094   6.736
  269    HB3  ASP  29           HB3      ASP  29  -4.717  -2.898   8.036
  Start of MODEL    7
    1    H1   ARG   1           H1       ARG   1  -4.160   3.249  13.170
    2    H2   ARG   1           H2       ARG   1  -4.111   1.835  12.200
    3    H3   ARG   1           H3       ARG   1  -5.138   3.138  11.768
    4    HA   ARG   1           HA       ARG   1  -3.015   4.496  11.694
    5    HB2  ARG   1           HB2      ARG   1  -2.060   1.878  12.358
    6    HB3  ARG   1           HB3      ARG   1  -1.493   2.250  10.740
    7    HG2  ARG   1           HG2      ARG   1  -0.580   4.421  11.713
    8    HG3  ARG   1           HG3      ARG   1  -0.908   3.716  13.301
    9    HD2  ARG   1           HD2      ARG   1   0.452   1.788  11.705
   10    HD3  ARG   1           HD3      ARG   1   1.328   3.314  11.611
   11    HE   ARG   1           HE       ARG   1   0.593   2.560  14.288
   12   HH11  ARG   1          HH11      ARG   1   3.015   2.215  11.780
   13   HH12  ARG   1          HH12      ARG   1   4.285   1.828  12.891
   14   HH21  ARG   1          HH21      ARG   1   2.271   2.050  15.744
   15   HH22  ARG   1          HH22      ARG   1   3.863   1.734  15.141
   16    H    TRP   2           H        TRP   2  -1.975   4.703   9.521
   17    HA   TRP   2           HA       TRP   2  -3.857   3.833   7.442
   18    HB2  TRP   2           HB2      TRP   2  -2.012   6.197   7.683
   19    HB3  TRP   2           HB3      TRP   2  -2.711   5.757   6.165
   20    HD1  TRP   2           HD1      TRP   2  -3.343   7.847   9.033
   21    HE1  TRP   2           HE1      TRP   2  -5.792   8.671   9.068
   22    HE3  TRP   2           HE3      TRP   2  -5.217   4.701   5.571
   23    HZ2  TRP   2           HZ2      TRP   2  -8.227   8.023   7.746
   24    HZ3  TRP   2           HZ3      TRP   2  -7.612   4.828   4.977
   25    HH2  TRP   2           HH2      TRP   2  -9.084   6.461   6.048
   26    H    PHE   3           H        PHE   3  -2.957   3.297   5.304
   27    HA   PHE   3           HA       PHE   3  -0.267   2.901   4.767
   28    HB2  PHE   3           HB2      PHE   3   0.102   0.568   5.002
   29    HB3  PHE   3           HB3      PHE   3  -0.384   1.250   6.522
   30    HD1  PHE   3           HD1      PHE   3  -3.203   1.174   6.649
   31    HD2  PHE   3           HD2      PHE   3  -0.579  -1.504   4.644
   32    HE1  PHE   3           HE1      PHE   3  -4.962  -0.554   6.670
   33    HE2  PHE   3           HE2      PHE   3  -2.322  -3.243   4.680
   34    HZ   PHE   3           HZ       PHE   3  -4.521  -2.763   5.686
   35    H    TYR   4           H        TYR   4   0.134   1.431   2.911
   36    HA   TYR   4           HA       TYR   4  -2.061   1.814   1.054
   37    HB2  TYR   4           HB2      TYR   4   0.728   1.356   0.165
   38    HB3  TYR   4           HB3      TYR   4  -0.469   2.480  -0.375
   39    HD1  TYR   4           HD1      TYR   4  -0.771   3.545   2.729
   40    HD2  TYR   4           HD2      TYR   4   2.368   3.114  -0.114
   41    HE1  TYR   4           HE1      TYR   4   0.407   5.291   3.834
   42    HE2  TYR   4           HE2      TYR   4   3.597   4.901   1.022
   43    HH   TYR   4           HH       TYR   4   3.320   5.854   3.838
   44    H    PHE   5           H        PHE   5  -2.753   0.248  -0.302
   45    HA   PHE   5           HA       PHE   5  -1.651  -2.451   0.087
   46    HB2  PHE   5           HB2      PHE   5  -3.863  -2.085   1.123
   47    HB3  PHE   5           HB3      PHE   5  -4.523  -1.702  -0.440
   48    HD1  PHE   5           HD2      PHE   5  -2.307  -4.443   0.828
   49    HD2  PHE   5           HD1      PHE   5  -5.835  -3.351  -1.279
   50    HE1  PHE   5           HE2      PHE   5  -2.761  -6.802   0.364
   51    HE2  PHE   5           HE1      PHE   5  -6.283  -5.705  -1.763
   52    HZ   PHE   5           HZ       PHE   5  -4.743  -7.421  -0.950
   53    H    ASN   6           H        ASN   6  -1.087  -3.570  -1.686
   54    HA   ASN   6           HA       ASN   6  -1.890  -2.435  -4.280
   55    HB2  ASN   6           HB2      ASN   6   0.571  -2.643  -3.914
   56    HB3  ASN   6           HB3      ASN   6   0.384  -4.337  -3.572
   57   HD21  ASN   6          HD21      ASN   6  -0.789  -2.070  -6.073
   58   HD22  ASN   6          HD22      ASN   6  -0.384  -3.057  -7.425
   59    H    ARG   7           H        ARG   7  -3.597  -3.389  -5.069
   60    HA   ARG   7           HA       ARG   7  -4.559  -5.916  -4.222
   61    HB2  ARG   7           HB2      ARG   7  -6.431  -5.467  -5.507
   62    HB3  ARG   7           HB3      ARG   7  -5.814  -3.874  -5.096
   63    HG2  ARG   7           HG2      ARG   7  -4.987  -3.488  -7.190
   64    HG3  ARG   7           HG3      ARG   7  -5.011  -5.184  -7.634
   65    HD2  ARG   7           HD2      ARG   7  -7.497  -5.146  -7.596
   66    HD3  ARG   7           HD3      ARG   7  -7.435  -3.406  -7.237
   67    HE   ARG   7           HE       ARG   7  -5.946  -4.081  -9.637
   68   HH11  ARG   7          HH11      ARG   7  -9.179  -3.452  -8.396
   69   HH12  ARG   7          HH12      ARG   7  -9.794  -2.931  -9.928
   70   HH21  ARG   7          HH21      ARG   7  -6.776  -3.393 -11.639
   71   HH22  ARG   7          HH22      ARG   7  -8.431  -2.898 -11.769
   72    H    ILE   8           H        ILE   8  -2.422  -4.972  -6.738
   73    HA   ILE   8           HA       ILE   8  -2.901  -7.186  -8.491
   74    HB   ILE   8           HB       ILE   8  -0.546  -5.286  -8.295
   75   HG12  ILE   8          HG12      ILE   8  -3.040  -4.610  -9.152
   76   HG13  ILE   8          HG13      ILE   8  -1.563  -3.867  -9.732
   77   HG21  ILE   8          HG21      ILE   8   0.197  -7.358  -9.296
   78   HG22  ILE   8          HG22      ILE   8   0.148  -6.073 -10.501
   79   HG23  ILE   8          HG23      ILE   8  -1.123  -7.294 -10.465
   80   HD11  ILE   8          HD11      ILE   8  -3.546  -5.294 -11.190
   81   HD12  ILE   8          HD12      ILE   8  -2.000  -6.127 -11.354
   82   HD13  ILE   8          HD13      ILE   8  -2.133  -4.424 -11.782
   83    H    THR   9           H        THR   9  -0.316  -6.468  -6.135
   84    HA   THR   9           HA       THR   9   0.597  -9.231  -6.356
   85    HB   THR   9           HB       THR   9   2.617  -8.538  -5.292
   86    HG1  THR   9           HG1      THR   9   2.828  -6.339  -4.583
   87   HG21  THR   9          HG21      THR   9   2.195  -7.862  -7.690
   88   HG22  THR   9          HG22      THR   9   3.485  -7.012  -6.831
   89   HG23  THR   9          HG23      THR   9   1.914  -6.239  -7.064
   90    H    GLY  10           H        GLY  10  -1.082  -7.167  -4.298
   91    HA2  GLY  10           HA2      GLY  10  -2.409  -7.700  -2.472
   92    HA3  GLY  10           HA3      GLY  10  -1.663  -9.266  -2.455
   93    H    LYS  11           H        LYS  11   0.604  -6.697  -2.517
   94    HA   LYS  11           HA       LYS  11   1.327  -7.197   0.238
   95    HB2  LYS  11           HB2      LYS  11   2.706  -5.899  -2.103
   96    HB3  LYS  11           HB3      LYS  11   3.409  -5.970  -0.500
   97    HG2  LYS  11           HG2      LYS  11   2.532  -8.450  -1.915
   98    HG3  LYS  11           HG3      LYS  11   4.082  -7.702  -2.292
   99    HD2  LYS  11           HD2      LYS  11   3.210  -8.550   0.458
  100    HD3  LYS  11           HD3      LYS  11   4.226  -9.516  -0.604
  101    HE2  LYS  11           HE2      LYS  11   5.960  -8.491   0.359
  102    HE3  LYS  11           HE3      LYS  11   5.497  -7.078  -0.586
  103    HZ1  LYS  11           HZ1      LYS  11   5.789  -6.608   1.800
  104    HZ2  LYS  11           HZ2      LYS  11   4.511  -7.658   2.155
  105    HZ3  LYS  11           HZ3      LYS  11   4.227  -6.254   1.256
  106    H    ARG  12           H        ARG  12   2.075  -5.233   1.502
  107    HA   ARG  12           HA       ARG  12   0.959  -2.714   0.928
  108    HB2  ARG  12           HB2      ARG  12  -0.738  -2.840   2.677
  109    HB3  ARG  12           HB3      ARG  12  -1.032  -3.921   1.356
  110    HG2  ARG  12           HG2      ARG  12  -0.186  -5.761   2.733
  111    HG3  ARG  12           HG3      ARG  12   0.026  -4.650   4.070
  112    HD2  ARG  12           HD2      ARG  12  -2.062  -5.145   4.660
  113    HD3  ARG  12           HD3      ARG  12  -2.590  -4.254   3.233
  114    HE   ARG  12           HE       ARG  12  -1.947  -6.868   2.464
  115   HH11  ARG  12          HH11      ARG  12  -4.348  -5.173   4.366
  116   HH12  ARG  12          HH12      ARG  12  -5.586  -6.349   4.077
  117   HH21  ARG  12          HH21      ARG  12  -3.582  -8.414   2.084
  118   HH22  ARG  12          HH22      ARG  12  -5.152  -8.189   2.782
  119    H    GLN  13           H        GLN  13   1.708  -1.110   2.382
  120    HA   GLN  13           HA       GLN  13   2.495  -1.656   5.031
  121    HB2  GLN  13           HB2      GLN  13   4.795  -0.454   4.141
  122    HB3  GLN  13           HB3      GLN  13   4.626  -2.047   4.811
  123    HG2  GLN  13           HG2      GLN  13   5.663  -2.608   2.978
  124    HG3  GLN  13           HG3      GLN  13   4.068  -2.559   2.278
  125   HE21  GLN  13          HE21      GLN  13   3.570   0.053   1.773
  126   HE22  GLN  13          HE22      GLN  13   4.793   0.730   0.762
  127    H    PHE  14           H        PHE  14   3.904   0.240   5.777
  128    HA   PHE  14           HA       PHE  14   2.325   2.655   5.322
  129    HB2  PHE  14           HB2      PHE  14   3.170   1.725   7.654
  130    HB3  PHE  14           HB3      PHE  14   4.700   2.448   7.181
  131    HD1  PHE  14           HD1      PHE  14   1.183   3.575   6.850
  132    HD2  PHE  14           HD2      PHE  14   5.050   4.358   8.389
  133    HE1  PHE  14           HE1      PHE  14   0.398   5.752   7.679
  134    HE2  PHE  14           HE2      PHE  14   4.288   6.536   9.228
  135    HZ   PHE  14           HZ       PHE  14   1.959   7.227   8.870
  136    H    GLU  15           H        GLU  15   5.233   1.201   4.308
  137    HA   GLU  15           HA       GLU  15   6.715   3.587   3.728
  138    HB2  GLU  15           HB2      GLU  15   7.269   0.935   4.046
  139    HB3  GLU  15           HB3      GLU  15   7.419   1.142   2.348
  140    HG2  GLU  15           HG2      GLU  15   8.706   3.282   3.678
  141    HG3  GLU  15           HG3      GLU  15   9.233   1.764   4.390
  142    H    ARG  16           H        ARG  16   7.740   3.321   1.513
  143    HA   ARG  16           HA       ARG  16   6.076   4.342  -0.451
  144    HB2  ARG  16           HB2      ARG  16   8.462   4.586  -0.557
  145    HB3  ARG  16           HB3      ARG  16   8.704   2.851  -0.518
  146    HG2  ARG  16           HG2      ARG  16   7.458   2.773  -2.689
  147    HG3  ARG  16           HG3      ARG  16   7.680   4.519  -2.778
  148    HD2  ARG  16           HD2      ARG  16   9.947   2.577  -2.382
  149    HD3  ARG  16           HD3      ARG  16   9.414   3.112  -3.975
  150    HE   ARG  16           HE       ARG  16   9.848   5.450  -2.814
  151   HH11  ARG  16          HH11      ARG  16  11.820   2.553  -2.755
  152   HH12  ARG  16          HH12      ARG  16  13.304   3.422  -2.565
  153   HH21  ARG  16          HH21      ARG  16  11.807   6.585  -2.564
  154   HH22  ARG  16          HH22      ARG  16  13.298   5.710  -2.457
  155    HA   PRO  17           HA       PRO  17   3.712   0.827  -1.766
  156    HB2  PRO  17           HB2      PRO  17   4.547   1.378  -4.562
  157    HB3  PRO  17           HB3      PRO  17   2.928   1.209  -3.887
  158    HG2  PRO  17           HG2      PRO  17   3.933   3.601  -4.568
  159    HG3  PRO  17           HG3      PRO  17   2.844   3.395  -3.184
  160    HD2  PRO  17           HD2      PRO  17   5.783   3.842  -3.224
  161    HD3  PRO  17           HD3      PRO  17   4.586   4.321  -2.043
  162    H    LYS  18           H        LYS  18   4.228  -1.282  -1.925
  163    HA   LYS  18           HA       LYS  18   6.944  -2.098  -2.019
  164    HB2  LYS  18           HB2      LYS  18   4.640  -3.354  -1.157
  165    HB3  LYS  18           HB3      LYS  18   4.980  -4.222  -2.641
  166    HG2  LYS  18           HG2      LYS  18   6.485  -4.122  -0.089
  167    HG3  LYS  18           HG3      LYS  18   6.089  -5.496  -1.119
  168    HD2  LYS  18           HD2      LYS  18   7.711  -4.273  -2.803
  169    HD3  LYS  18           HD3      LYS  18   8.346  -3.560  -1.319
  170    HE2  LYS  18           HE2      LYS  18   8.349  -6.044  -0.490
  171    HE3  LYS  18           HE3      LYS  18   8.345  -6.408  -2.215
  172    HZ1  LYS  18           HZ1      LYS  18  10.364  -4.798  -0.749
  173    HZ2  LYS  18           HZ2      LYS  18  10.337  -4.994  -2.429
  174    HZ3  LYS  18           HZ3      LYS  18  10.589  -6.332  -1.426
  175    H    GLY  19           H        GLY  19   7.073  -0.747  -3.994
  176    HA2  GLY  19           HA2      GLY  19   8.186  -1.658  -6.109
  177    HA3  GLY  19           HA3      GLY  19   6.560  -2.206  -6.476
  178    H    LEU  20           H        LEU  20   6.189   0.803  -4.879
  179    HA   LEU  20           HA       LEU  20   5.440   2.807  -5.732
  180    HB2  LEU  20           HB2      LEU  20   8.127   2.289  -6.512
  181    HB3  LEU  20           HB3      LEU  20   7.377   3.207  -7.791
  182    HG   LEU  20           HG       LEU  20   7.435   4.148  -4.907
  183   HD11  LEU  20          HD11      LEU  20   9.359   5.428  -5.392
  184   HD12  LEU  20          HD12      LEU  20   9.316   4.978  -7.097
  185   HD13  LEU  20          HD13      LEU  20   9.713   3.769  -5.876
  186   HD21  LEU  20          HD21      LEU  20   7.413   6.298  -6.667
  187   HD22  LEU  20          HD22      LEU  20   6.045   5.708  -5.727
  188   HD23  LEU  20          HD23      LEU  20   6.284   5.152  -7.386
  189    H    VAL  21           H        VAL  21   3.825   1.153  -6.675
  190    HA   VAL  21           HA       VAL  21   3.503   1.647  -9.488
  191    HB   VAL  21           HB       VAL  21   2.318  -0.870  -8.606
  192   HG11  VAL  21          HG11      VAL  21   3.108   0.390 -11.056
  193   HG12  VAL  21          HG12      VAL  21   2.237  -1.126 -10.827
  194   HG13  VAL  21          HG13      VAL  21   4.000  -1.121 -10.880
  195   HG21  VAL  21          HG21      VAL  21   4.663  -0.514  -7.613
  196   HG22  VAL  21          HG22      VAL  21   5.178  -0.887  -9.245
  197   HG23  VAL  21          HG23      VAL  21   4.201  -2.041  -8.341
  198    H    LYS  22           H        LYS  22   1.354   0.526 -10.063
  199    HA   LYS  22           HA       LYS  22  -0.758   2.187  -8.935
  200    HB2  LYS  22           HB2      LYS  22  -0.575   0.568 -11.492
  201    HB3  LYS  22           HB3      LYS  22  -2.055   1.350 -10.954
  202    HG2  LYS  22           HG2      LYS  22  -1.345   3.037 -12.245
  203    HG3  LYS  22           HG3      LYS  22  -0.336   3.431 -10.852
  204    HD2  LYS  22           HD2      LYS  22   1.454   3.200 -12.154
  205    HD3  LYS  22           HD3      LYS  22   1.076   1.483 -12.303
  206    HE2  LYS  22           HE2      LYS  22  -0.238   3.535 -14.056
  207    HE3  LYS  22           HE3      LYS  22   1.344   2.867 -14.455
  208    HZ1  LYS  22           HZ1      LYS  22  -1.153   1.303 -14.070
  209    HZ2  LYS  22           HZ2      LYS  22   0.364   0.652 -14.437
  210    HZ3  LYS  22           HZ3      LYS  22  -0.420   1.650 -15.555
  211    H    GLY  23           H        GLY  23  -2.991   0.903  -8.886
  212    HA2  GLY  23           HA2      GLY  23  -4.119  -1.199  -8.234
  213    HA3  GLY  23           HA3      GLY  23  -2.529  -1.905  -8.015
  214    H    TRP  24           H        TRP  24  -1.446   0.273  -6.579
  215    HA   TRP  24           HA       TRP  24  -1.841  -0.409  -3.956
  216    HB2  TRP  24           HB2      TRP  24  -0.585   1.918  -5.409
  217    HB3  TRP  24           HB3      TRP  24  -0.480   1.748  -3.679
  218    HD1  TRP  24           HD1      TRP  24   1.291   0.685  -6.763
  219    HE1  TRP  24           HE1      TRP  24   3.044  -1.041  -6.187
  220    HE3  TRP  24           HE3      TRP  24  -0.199  -0.438  -2.021
  221    HZ2  TRP  24           HZ2      TRP  24   3.711  -2.745  -4.069
  222    HZ3  TRP  24           HZ3      TRP  24   1.017  -2.223  -0.843
  223    HH2  TRP  24           HH2      TRP  24   2.948  -3.281  -1.806
  224    H    GLU  25           H        GLU  25  -3.131   0.425  -2.292
  225    HA   GLU  25           HA       GLU  25  -4.557   2.940  -2.724
  226    HB2  GLU  25           HB2      GLU  25  -5.920   0.273  -2.682
  227    HB3  GLU  25           HB3      GLU  25  -6.699   1.618  -1.864
  228    HG2  GLU  25           HG2      GLU  25  -7.610   2.067  -3.838
  229    HG3  GLU  25           HG3      GLU  25  -6.035   2.733  -4.264
  230    H    LYS  26           H        LYS  26  -4.231   4.057  -0.898
  231    HA   LYS  26           HA       LYS  26  -3.407   2.744   1.472
  232    HB2  LYS  26           HB2      LYS  26  -2.568   5.084   1.120
  233    HB3  LYS  26           HB3      LYS  26  -4.198   5.653   0.919
  234    HG2  LYS  26           HG2      LYS  26  -4.681   5.411   3.269
  235    HG3  LYS  26           HG3      LYS  26  -3.093   4.686   3.554
  236    HD2  LYS  26           HD2      LYS  26  -2.029   6.665   3.495
  237    HD3  LYS  26           HD3      LYS  26  -3.043   7.278   2.178
  238    HE2  LYS  26           HE2      LYS  26  -4.865   7.762   3.731
  239    HE3  LYS  26           HE3      LYS  26  -3.935   7.044   5.054
  240    HZ1  LYS  26           HZ1      LYS  26  -2.274   8.782   4.787
  241    HZ2  LYS  26           HZ2      LYS  26  -3.798   9.447   5.096
  242    HZ3  LYS  26           HZ3      LYS  26  -3.168   9.472   3.526
  243    H    ARG  27           H        ARG  27  -4.562   1.873   3.051
  244    HA   ARG  27           HA       ARG  27  -7.408   2.580   3.295
  245    HB2  ARG  27           HB2      ARG  27  -6.484   0.186   2.462
  246    HB3  ARG  27           HB3      ARG  27  -6.546  -0.161   4.152
  247    HG2  ARG  27           HG2      ARG  27  -8.604  -0.085   2.124
  248    HG3  ARG  27           HG3      ARG  27  -8.669  -0.739   3.743
  249    HD2  ARG  27           HD2      ARG  27  -9.780   1.050   4.552
  250    HD3  ARG  27           HD3      ARG  27  -8.865   2.193   3.579
  251    HE   ARG  27           HE       ARG  27 -11.380   0.986   2.926
  252   HH11  ARG  27          HH11      ARG  27  -8.497   2.453   1.579
  253   HH12  ARG  27          HH12      ARG  27  -9.273   2.913   0.103
  254   HH21  ARG  27          HH21      ARG  27 -12.394   1.595   0.977
  255   HH22  ARG  27          HH22      ARG  27 -11.485   2.428  -0.239
  256    H    TRP  28           H        TRP  28  -8.240   1.705   5.432
  257    HA   TRP  28           HA       TRP  28  -6.676   2.893   7.563
  258    HB2  TRP  28           HB2      TRP  28  -9.141   3.338   7.247
  259    HB3  TRP  28           HB3      TRP  28  -9.439   1.676   7.723
  260    HD1  TRP  28           HD1      TRP  28 -10.530   1.891   9.998
  261    HE1  TRP  28           HE1      TRP  28  -9.950   3.007  12.227
  262    HE3  TRP  28           HE3      TRP  28  -6.397   4.498   8.527
  263    HZ2  TRP  28           HZ2      TRP  28  -7.992   4.778  13.241
  264    HZ3  TRP  28           HZ3      TRP  28  -5.229   5.886  10.188
  265    HH2  TRP  28           HH2      TRP  28  -6.011   6.023  12.495
  266    H    ASP  29           H        ASP  29  -6.147   1.850   9.519
  267    HA   ASP  29           HA       ASP  29  -6.127  -1.098   9.405
  268    HB2  ASP  29           HB2      ASP  29  -3.872   0.144   9.105
  269    HB3  ASP  29           HB3      ASP  29  -3.987   0.485  10.815
  Start of MODEL    8
    1    H1   ARG   1           H1       ARG   1  -4.247   3.588  12.653
    2    H2   ARG   1           H2       ARG   1  -3.611   2.167  13.372
    3    H3   ARG   1           H3       ARG   1  -4.654   2.051  12.014
    4    HA   ARG   1           HA       ARG   1  -2.137   3.534  11.866
    5    HB2  ARG   1           HB2      ARG   1  -2.334   0.805  12.532
    6    HB3  ARG   1           HB3      ARG   1  -2.038   0.812  10.805
    7    HG2  ARG   1           HG2      ARG   1  -0.034   2.280  11.266
    8    HG3  ARG   1           HG3      ARG   1  -0.278   1.934  12.978
    9    HD2  ARG   1           HD2      ARG   1   0.254  -0.291  12.745
   10    HD3  ARG   1           HD3      ARG   1  -0.154  -0.322  11.032
   11    HE   ARG   1           HE       ARG   1   2.346   0.614  12.223
   12   HH11  ARG   1          HH11      ARG   1   0.432   0.106   9.329
   13   HH12  ARG   1          HH12      ARG   1   1.796   0.197   8.268
   14   HH21  ARG   1          HH21      ARG   1   4.131   0.736  10.818
   15   HH22  ARG   1          HH22      ARG   1   3.896   0.553   9.113
   16    H    TRP   2           H        TRP   2  -1.449   3.794   9.727
   17    HA   TRP   2           HA       TRP   2  -3.551   3.455   7.693
   18    HB2  TRP   2           HB2      TRP   2  -1.561   5.645   8.213
   19    HB3  TRP   2           HB3      TRP   2  -2.273   5.458   6.654
   20    HD1  TRP   2           HD1      TRP   2  -2.873   6.984   9.916
   21    HE1  TRP   2           HE1      TRP   2  -5.230   8.045   9.997
   22    HE3  TRP   2           HE3      TRP   2  -4.705   4.960   5.706
   23    HZ2  TRP   2           HZ2      TRP   2  -7.589   7.997   8.395
   24    HZ3  TRP   2           HZ3      TRP   2  -7.006   5.481   4.985
   25    HH2  TRP   2           HH2      TRP   2  -8.423   6.976   6.314
   26    H    PHE   3           H        PHE   3  -2.729   3.170   5.443
   27    HA   PHE   3           HA       PHE   3  -0.118   2.776   4.704
   28    HB2  PHE   3           HB2      PHE   3   0.213   0.374   4.695
   29    HB3  PHE   3           HB3      PHE   3   0.031   1.038   6.294
   30    HD1  PHE   3           HD1      PHE   3  -1.687  -0.719   3.598
   31    HD2  PHE   3           HD2      PHE   3  -1.647   0.115   7.756
   32    HE1  PHE   3           HE1      PHE   3  -3.406  -2.435   3.941
   33    HE2  PHE   3           HE2      PHE   3  -3.357  -1.601   8.124
   34    HZ   PHE   3           HZ       PHE   3  -4.271  -2.861   6.199
   35    H    TYR   4           H        TYR   4   0.210   1.420   2.734
   36    HA   TYR   4           HA       TYR   4  -2.077   1.843   1.005
   37    HB2  TYR   4           HB2      TYR   4   0.677   1.443  -0.023
   38    HB3  TYR   4           HB3      TYR   4  -0.560   2.560  -0.483
   39    HD1  TYR   4           HD2      TYR   4  -0.705   3.516   2.690
   40    HD2  TYR   4           HD1      TYR   4   2.255   3.271  -0.365
   41    HE1  TYR   4           HE2      TYR   4   0.491   5.254   3.767
   42    HE2  TYR   4           HE1      TYR   4   3.494   5.064   0.750
   43    HH   TYR   4           HH       TYR   4   3.391   5.918   3.587
   44    H    PHE   5           H        PHE   5  -2.839   0.286  -0.316
   45    HA   PHE   5           HA       PHE   5  -1.712  -2.409   0.025
   46    HB2  PHE   5           HB2      PHE   5  -3.942  -1.997   1.028
   47    HB3  PHE   5           HB3      PHE   5  -4.571  -1.664  -0.562
   48    HD1  PHE   5           HD2      PHE   5  -2.413  -4.354   0.893
   49    HD2  PHE   5           HD1      PHE   5  -5.825  -3.337  -1.426
   50    HE1  PHE   5           HE2      PHE   5  -2.860  -6.733   0.507
   51    HE2  PHE   5           HE1      PHE   5  -6.266  -5.704  -1.838
   52    HZ   PHE   5           HZ       PHE   5  -4.786  -7.398  -0.864
   53    H    ASN   6           H        ASN   6  -1.108  -3.524  -1.733
   54    HA   ASN   6           HA       ASN   6  -1.880  -2.410  -4.344
   55    HB2  ASN   6           HB2      ASN   6   0.579  -2.611  -3.976
   56    HB3  ASN   6           HB3      ASN   6   0.393  -4.296  -3.581
   57   HD21  ASN   6          HD21      ASN   6  -0.759  -2.108  -6.160
   58   HD22  ASN   6          HD22      ASN   6  -0.357  -3.142  -7.476
   59    H    ARG   7           H        ARG   7  -3.818  -3.338  -4.780
   60    HA   ARG   7           HA       ARG   7  -4.623  -5.886  -4.076
   61    HB2  ARG   7           HB2      ARG   7  -5.418  -3.497  -5.391
   62    HB3  ARG   7           HB3      ARG   7  -5.966  -4.845  -6.293
   63    HG2  ARG   7           HG2      ARG   7  -6.550  -4.600  -3.361
   64    HG3  ARG   7           HG3      ARG   7  -7.460  -3.737  -4.578
   65    HD2  ARG   7           HD2      ARG   7  -8.089  -5.823  -5.687
   66    HD3  ARG   7           HD3      ARG   7  -7.100  -6.736  -4.529
   67    HE   ARG   7           HE       ARG   7  -9.139  -5.110  -3.227
   68   HH11  ARG   7          HH11      ARG   7  -8.535  -8.184  -4.832
   69   HH12  ARG   7          HH12      ARG   7  -9.845  -8.989  -4.039
   70   HH21  ARG   7          HH21      ARG   7 -10.854  -6.190  -2.199
   71   HH22  ARG   7          HH22      ARG   7 -11.163  -7.858  -2.545
   72    H    ILE   8           H        ILE   8  -2.262  -5.137  -6.352
   73    HA   ILE   8           HA       ILE   8  -3.065  -7.127  -8.314
   74    HB   ILE   8           HB       ILE   8  -0.537  -5.462  -8.099
   75   HG12  ILE   8          HG12      ILE   8  -2.973  -4.458  -8.722
   76   HG13  ILE   8          HG13      ILE   8  -1.465  -3.828  -9.356
   77   HG21  ILE   8          HG21      ILE   8  -0.019  -6.138 -10.372
   78   HG22  ILE   8          HG22      ILE   8  -1.443  -7.175 -10.406
   79   HG23  ILE   8          HG23      ILE   8  -0.116  -7.534  -9.299
   80   HD11  ILE   8          HD11      ILE   8  -2.198  -5.849 -11.136
   81   HD12  ILE   8          HD12      ILE   8  -2.297  -4.108 -11.380
   82   HD13  ILE   8          HD13      ILE   8  -3.689  -4.987 -10.753
   83    H    THR   9           H        THR   9  -0.346  -6.608  -6.064
   84    HA   THR   9           HA       THR   9   0.356  -9.429  -6.280
   85    HB   THR   9           HB       THR   9   2.459  -8.869  -5.294
   86    HG1  THR   9           HG1      THR   9   2.865  -6.776  -4.519
   87   HG21  THR   9          HG21      THR   9   1.809  -8.026  -7.697
   88   HG22  THR   9          HG22      THR   9   3.372  -7.642  -6.969
   89   HG23  THR   9          HG23      THR   9   2.069  -6.451  -6.949
   90    H    GLY  10           H        GLY  10  -1.062  -7.206  -4.177
   91    HA2  GLY  10           HA2      GLY  10  -2.425  -7.688  -2.345
   92    HA3  GLY  10           HA3      GLY  10  -1.683  -9.254  -2.272
   93    H    LYS  11           H        LYS  11   0.583  -6.677  -2.475
   94    HA   LYS  11           HA       LYS  11   1.327  -7.090   0.297
   95    HB2  LYS  11           HB2      LYS  11   2.695  -5.880  -2.093
   96    HB3  LYS  11           HB3      LYS  11   3.401  -5.893  -0.488
   97    HG2  LYS  11           HG2      LYS  11   2.518  -8.389  -1.883
   98    HG3  LYS  11           HG3      LYS  11   4.113  -7.693  -2.132
   99    HD2  LYS  11           HD2      LYS  11   2.933  -8.866   0.360
  100    HD3  LYS  11           HD3      LYS  11   4.425  -9.311  -0.465
  101    HE2  LYS  11           HE2      LYS  11   5.151  -6.876   0.120
  102    HE3  LYS  11           HE3      LYS  11   3.871  -6.982   1.328
  103    HZ1  LYS  11           HZ1      LYS  11   5.826  -7.664   2.397
  104    HZ2  LYS  11           HZ2      LYS  11   6.311  -8.644   1.106
  105    HZ3  LYS  11           HZ3      LYS  11   4.996  -9.101   2.067
  106    H    ARG  12           H        ARG  12   1.922  -5.174   1.601
  107    HA   ARG  12           HA       ARG  12   0.874  -2.640   0.894
  108    HB2  ARG  12           HB2      ARG  12  -0.845  -2.676   2.583
  109    HB3  ARG  12           HB3      ARG  12  -1.107  -3.920   1.408
  110    HG2  ARG  12           HG2      ARG  12   0.012  -4.302   4.167
  111    HG3  ARG  12           HG3      ARG  12  -1.640  -4.623   3.679
  112    HD2  ARG  12           HD2      ARG  12  -0.983  -6.709   3.281
  113    HD3  ARG  12           HD3      ARG  12  -0.188  -6.064   1.848
  114    HE   ARG  12           HE       ARG  12   1.521  -5.802   4.078
  115   HH11  ARG  12          HH11      ARG  12   0.218  -8.250   1.939
  116   HH12  ARG  12          HH12      ARG  12   1.567  -9.316   2.139
  117   HH21  ARG  12          HH21      ARG  12   3.295  -7.210   4.335
  118   HH22  ARG  12          HH22      ARG  12   3.313  -8.727   3.500
  119    H    GLN  13           H        GLN  13   1.627  -0.974   2.328
  120    HA   GLN  13           HA       GLN  13   2.612  -1.572   4.921
  121    HB2  GLN  13           HB2      GLN  13   4.791  -0.325   4.200
  122    HB3  GLN  13           HB3      GLN  13   4.689  -2.059   4.245
  123    HG2  GLN  13           HG2      GLN  13   5.736  -0.649   2.243
  124    HG3  GLN  13           HG3      GLN  13   5.016  -2.198   2.074
  125   HE21  GLN  13          HE21      GLN  13   3.927   1.164   2.008
  126   HE22  GLN  13          HE22      GLN  13   2.870   0.952   0.675
  127    H    PHE  14           H        PHE  14   3.751   0.325   5.860
  128    HA   PHE  14           HA       PHE  14   2.135   2.718   5.529
  129    HB2  PHE  14           HB2      PHE  14   3.013   1.700   7.801
  130    HB3  PHE  14           HB3      PHE  14   4.557   2.400   7.334
  131    HD1  PHE  14           HD1      PHE  14   1.100   3.713   7.060
  132    HD2  PHE  14           HD2      PHE  14   4.956   4.151   8.750
  133    HE1  PHE  14           HE1      PHE  14   0.392   5.821   8.086
  134    HE2  PHE  14           HE2      PHE  14   4.271   6.272   9.782
  135    HZ   PHE  14           HZ       PHE  14   1.985   7.104   9.445
  136    H    GLU  15           H        GLU  15   5.209   1.410   4.617
  137    HA   GLU  15           HA       GLU  15   6.561   3.842   3.973
  138    HB2  GLU  15           HB2      GLU  15   7.186   1.201   4.280
  139    HB3  GLU  15           HB3      GLU  15   7.334   1.418   2.590
  140    HG2  GLU  15           HG2      GLU  15   8.581   3.581   3.952
  141    HG3  GLU  15           HG3      GLU  15   9.157   2.057   4.615
  142    H    ARG  16           H        ARG  16   7.595   3.572   1.753
  143    HA   ARG  16           HA       ARG  16   5.927   4.541  -0.240
  144    HB2  ARG  16           HB2      ARG  16   8.299   4.856  -0.314
  145    HB3  ARG  16           HB3      ARG  16   8.604   3.136  -0.206
  146    HG2  ARG  16           HG2      ARG  16   7.391   2.986  -2.430
  147    HG3  ARG  16           HG3      ARG  16   7.680   4.719  -2.558
  148    HD2  ARG  16           HD2      ARG  16   9.588   3.994  -3.557
  149    HD3  ARG  16           HD3      ARG  16  10.138   3.928  -1.884
  150    HE   ARG  16           HE       ARG  16   8.942   1.472  -2.645
  151   HH11  ARG  16          HH11      ARG  16  11.871   3.345  -3.062
  152   HH12  ARG  16          HH12      ARG  16  12.867   1.955  -3.333
  153   HH21  ARG  16          HH21      ARG  16  10.258  -0.355  -3.003
  154   HH22  ARG  16          HH22      ARG  16  11.951  -0.146  -3.301
  155    HA   PRO  17           HA       PRO  17   3.696   1.055  -1.815
  156    HB2  PRO  17           HB2      PRO  17   4.397   1.115  -4.504
  157    HB3  PRO  17           HB3      PRO  17   3.069   2.014  -3.771
  158    HG2  PRO  17           HG2      PRO  17   5.837   2.922  -4.412
  159    HG3  PRO  17           HG3      PRO  17   4.307   3.797  -4.589
  160    HD2  PRO  17           HD2      PRO  17   5.944   4.331  -2.570
  161    HD3  PRO  17           HD3      PRO  17   4.209   4.256  -2.326
  162    H    LYS  18           H        LYS  18   4.134  -1.062  -1.889
  163    HA   LYS  18           HA       LYS  18   6.865  -1.944  -1.803
  164    HB2  LYS  18           HB2      LYS  18   4.456  -3.101  -0.944
  165    HB3  LYS  18           HB3      LYS  18   4.973  -4.127  -2.264
  166    HG2  LYS  18           HG2      LYS  18   6.230  -3.644   0.385
  167    HG3  LYS  18           HG3      LYS  18   5.946  -5.155  -0.475
  168    HD2  LYS  18           HD2      LYS  18   8.124  -5.098  -0.978
  169    HD3  LYS  18           HD3      LYS  18   7.701  -3.836  -2.134
  170    HE2  LYS  18           HE2      LYS  18   8.384  -2.129  -0.709
  171    HE3  LYS  18           HE3      LYS  18   8.272  -3.149   0.724
  172    HZ1  LYS  18           HZ1      LYS  18  10.207  -4.369  -0.018
  173    HZ2  LYS  18           HZ2      LYS  18  10.570  -2.721   0.083
  174    HZ3  LYS  18           HZ3      LYS  18  10.302  -3.435  -1.426
  175    H    GLY  19           H        GLY  19   6.831  -0.674  -3.962
  176    HA2  GLY  19           HA2      GLY  19   7.962  -1.937  -5.961
  177    HA3  GLY  19           HA3      GLY  19   6.285  -2.341  -6.273
  178    H    LEU  20           H        LEU  20   6.076   0.785  -5.014
  179    HA   LEU  20           HA       LEU  20   5.594   2.776  -6.070
  180    HB2  LEU  20           HB2      LEU  20   8.214   1.899  -6.783
  181    HB3  LEU  20           HB3      LEU  20   7.558   2.815  -8.114
  182    HG   LEU  20           HG       LEU  20   7.719   3.928  -5.296
  183   HD11  LEU  20          HD11      LEU  20   9.742   4.156  -7.512
  184   HD12  LEU  20          HD12      LEU  20   9.951   3.293  -5.989
  185   HD13  LEU  20          HD13      LEU  20   9.767   5.047  -5.990
  186   HD21  LEU  20          HD21      LEU  20   7.989   5.941  -7.189
  187   HD22  LEU  20          HD22      LEU  20   6.541   5.583  -6.252
  188   HD23  LEU  20          HD23      LEU  20   6.743   4.894  -7.865
  189    H    VAL  21           H        VAL  21   3.831   1.205  -6.844
  190    HA   VAL  21           HA       VAL  21   3.504   1.507  -9.674
  191    HB   VAL  21           HB       VAL  21   2.307  -0.954  -8.667
  192   HG11  VAL  21          HG11      VAL  21   3.091   0.183 -11.181
  193   HG12  VAL  21          HG12      VAL  21   2.201  -1.308 -10.874
  194   HG13  VAL  21          HG13      VAL  21   3.963  -1.331 -10.942
  195   HG21  VAL  21          HG21      VAL  21   4.185  -2.132  -8.370
  196   HG22  VAL  21          HG22      VAL  21   4.650  -0.574  -7.701
  197   HG23  VAL  21          HG23      VAL  21   5.165  -1.020  -9.316
  198    H    LYS  22           H        LYS  22   1.336   0.394 -10.166
  199    HA   LYS  22           HA       LYS  22  -0.739   2.105  -9.035
  200    HB2  LYS  22           HB2      LYS  22  -0.530   0.513 -11.594
  201    HB3  LYS  22           HB3      LYS  22  -2.075   1.124 -11.022
  202    HG2  LYS  22           HG2      LYS  22  -1.359   3.376 -11.226
  203    HG3  LYS  22           HG3      LYS  22   0.314   2.886 -11.500
  204    HD2  LYS  22           HD2      LYS  22  -0.471   1.724 -13.584
  205    HD3  LYS  22           HD3      LYS  22  -2.045   2.483 -13.333
  206    HE2  LYS  22           HE2      LYS  22  -1.046   3.977 -14.771
  207    HE3  LYS  22           HE3      LYS  22  -0.646   4.683 -13.206
  208    HZ1  LYS  22           HZ1      LYS  22   1.527   3.624 -13.329
  209    HZ2  LYS  22           HZ2      LYS  22   1.275   4.631 -14.664
  210    HZ3  LYS  22           HZ3      LYS  22   1.141   2.954 -14.834
  211    H    GLY  23           H        GLY  23  -2.993   0.810  -8.973
  212    HA2  GLY  23           HA2      GLY  23  -4.108  -1.273  -8.249
  213    HA3  GLY  23           HA3      GLY  23  -2.515  -1.971  -8.034
  214    H    TRP  24           H        TRP  24  -1.443   0.267  -6.651
  215    HA   TRP  24           HA       TRP  24  -1.816  -0.390  -4.011
  216    HB2  TRP  24           HB2      TRP  24  -0.574   1.922  -5.502
  217    HB3  TRP  24           HB3      TRP  24  -0.464   1.778  -3.769
  218    HD1  TRP  24           HD1      TRP  24   1.313   0.689  -6.835
  219    HE1  TRP  24           HE1      TRP  24   3.070  -1.022  -6.241
  220    HE3  TRP  24           HE3      TRP  24  -0.194  -0.404  -2.091
  221    HZ2  TRP  24           HZ2      TRP  24   3.739  -2.707  -4.105
  222    HZ3  TRP  24           HZ3      TRP  24   1.030  -2.170  -0.892
  223    HH2  TRP  24           HH2      TRP  24   2.968  -3.232  -1.844
  224    H    GLU  25           H        GLU  25  -3.103   0.465  -2.357
  225    HA   GLU  25           HA       GLU  25  -4.531   2.964  -2.815
  226    HB2  GLU  25           HB2      GLU  25  -5.893   0.298  -2.788
  227    HB3  GLU  25           HB3      GLU  25  -6.692   1.653  -2.006
  228    HG2  GLU  25           HG2      GLU  25  -7.536   2.126  -3.998
  229    HG3  GLU  25           HG3      GLU  25  -5.930   2.713  -4.421
  230    H    LYS  26           H        LYS  26  -4.033   4.041  -1.023
  231    HA   LYS  26           HA       LYS  26  -3.320   2.854   1.424
  232    HB2  LYS  26           HB2      LYS  26  -2.559   5.180   1.209
  233    HB3  LYS  26           HB3      LYS  26  -4.129   5.685   0.675
  234    HG2  LYS  26           HG2      LYS  26  -4.167   6.559   2.721
  235    HG3  LYS  26           HG3      LYS  26  -4.880   5.011   3.060
  236    HD2  LYS  26           HD2      LYS  26  -3.311   5.098   4.736
  237    HD3  LYS  26           HD3      LYS  26  -2.347   4.343   3.455
  238    HE2  LYS  26           HE2      LYS  26  -1.252   6.379   2.899
  239    HE3  LYS  26           HE3      LYS  26  -2.446   7.332   3.791
  240    HZ1  LYS  26           HZ1      LYS  26  -0.092   6.812   4.786
  241    HZ2  LYS  26           HZ2      LYS  26  -0.854   5.392   5.299
  242    HZ3  LYS  26           HZ3      LYS  26  -1.461   6.899   5.775
  243    H    ARG  27           H        ARG  27  -4.403   2.075   3.083
  244    HA   ARG  27           HA       ARG  27  -7.324   2.444   3.137
  245    HB2  ARG  27           HB2      ARG  27  -6.031   0.072   2.754
  246    HB3  ARG  27           HB3      ARG  27  -6.217   0.005   4.466
  247    HG2  ARG  27           HG2      ARG  27  -8.074  -0.511   2.310
  248    HG3  ARG  27           HG3      ARG  27  -8.208  -0.899   4.010
  249    HD2  ARG  27           HD2      ARG  27  -9.601   0.820   4.415
  250    HD3  ARG  27           HD3      ARG  27  -8.723   1.919   3.362
  251    HE   ARG  27           HE       ARG  27 -11.011   0.341   2.688
  252   HH11  ARG  27          HH11      ARG  27  -8.158   1.894   1.372
  253   HH12  ARG  27          HH12      ARG  27  -8.818   2.029  -0.221
  254   HH21  ARG  27          HH21      ARG  27 -11.872   0.526   0.586
  255   HH22  ARG  27          HH22      ARG  27 -10.926   1.255  -0.668
  256    H    TRP  28           H        TRP  28  -8.199   1.851   5.292
  257    HA   TRP  28           HA       TRP  28  -6.612   3.125   7.419
  258    HB2  TRP  28           HB2      TRP  28  -8.642   4.347   6.924
  259    HB3  TRP  28           HB3      TRP  28  -9.614   2.900   7.102
  260    HD1  TRP  28           HD1      TRP  28 -11.051   3.472   9.138
  261    HE1  TRP  28           HE1      TRP  28 -10.601   4.138  11.568
  262    HE3  TRP  28           HE3      TRP  28  -6.011   4.205   8.838
  263    HZ2  TRP  28           HZ2      TRP  28  -8.388   4.888  13.165
  264    HZ3  TRP  28           HZ3      TRP  28  -4.800   4.901  10.860
  265    HH2  TRP  28           HH2      TRP  28  -5.963   5.235  12.978
  266    H    ASP  29           H        ASP  29  -5.608   1.516   8.429
  267    HA   ASP  29           HA       ASP  29  -7.210  -0.411   9.878
  268    HB2  ASP  29           HB2      ASP  29  -5.918  -1.116   7.406
  269    HB3  ASP  29           HB3      ASP  29  -5.184  -2.018   8.733
  Start of MODEL    9
    1    H1   ARG   1           H1       ARG   1  -5.607  -0.716  12.525
    2    H2   ARG   1           H2       ARG   1  -7.069  -0.414  11.680
    3    H3   ARG   1           H3       ARG   1  -6.633   0.565  13.020
    4    HA   ARG   1           HA       ARG   1  -6.277   1.705  10.959
    5    HB2  ARG   1           HB2      ARG   1  -4.754   2.088  12.966
    6    HB3  ARG   1           HB3      ARG   1  -3.719   0.795  12.389
    7    HG2  ARG   1           HG2      ARG   1  -3.345   2.162  10.301
    8    HG3  ARG   1           HG3      ARG   1  -4.147   3.492  11.144
    9    HD2  ARG   1           HD2      ARG   1  -1.919   2.066  12.511
   10    HD3  ARG   1           HD3      ARG   1  -1.531   3.194  11.214
   11    HE   ARG   1           HE       ARG   1  -2.332   4.957  12.521
   12   HH11  ARG   1          HH11      ARG   1  -2.682   1.896  14.196
   13   HH12  ARG   1          HH12      ARG   1  -2.947   2.635  15.737
   14   HH21  ARG   1          HH21      ARG   1  -2.681   5.916  14.557
   15   HH22  ARG   1          HH22      ARG   1  -2.948   4.913  15.943
   16    H    TRP   2           H        TRP   2  -5.807   1.537   8.857
   17    HA   TRP   2           HA       TRP   2  -4.343  -0.713   7.872
   18    HB2  TRP   2           HB2      TRP   2  -6.222  -0.272   5.978
   19    HB3  TRP   2           HB3      TRP   2  -6.339  -1.365   7.199
   20    HD1  TRP   2           HD1      TRP   2  -8.337  -1.197   8.620
   21    HE1  TRP   2           HE1      TRP   2 -10.304   0.444   8.889
   22    HE3  TRP   2           HE3      TRP   2  -6.531   2.391   5.718
   23    HZ2  TRP   2           HZ2      TRP   2 -10.903   3.106   7.980
   24    HZ3  TRP   2           HZ3      TRP   2  -7.700   4.477   5.503
   25    HH2  TRP   2           HH2      TRP   2  -9.897   4.856   6.556
   26    H    PHE   3           H        PHE   3  -3.576  -0.190   5.333
   27    HA   PHE   3           HA       PHE   3  -2.153   2.397   5.103
   28    HB2  PHE   3           HB2      PHE   3  -0.157   0.452   4.536
   29    HB3  PHE   3           HB3      PHE   3  -0.260   1.448   6.000
   30    HD1  PHE   3           HD1      PHE   3  -1.129  -1.708   4.451
   31    HD2  PHE   3           HD2      PHE   3  -1.267   0.655   7.915
   32    HE1  PHE   3           HE1      PHE   3  -2.398  -3.466   5.562
   33    HE2  PHE   3           HE2      PHE   3  -2.500  -0.987   9.076
   34    HZ   PHE   3           HZ       PHE   3  -3.216  -3.019   7.834
   35    H    TYR   4           H        TYR   4  -0.424   1.906   2.979
   36    HA   TYR   4           HA       TYR   4  -2.208   1.704   0.785
   37    HB2  TYR   4           HB2      TYR   4   0.746   1.328   0.517
   38    HB3  TYR   4           HB3      TYR   4  -0.383   2.099  -0.533
   39    HD1  TYR   4           HD1      TYR   4  -1.261   4.299  -0.113
   40    HD2  TYR   4           HD2      TYR   4   1.730   2.560   2.336
   41    HE1  TYR   4           HE1      TYR   4  -0.896   6.477   0.931
   42    HE2  TYR   4           HE2      TYR   4   2.156   4.717   3.372
   43    HH   TYR   4           HH       TYR   4   1.600   7.431   2.320
   44    H    PHE   5           H        PHE   5  -3.037   0.031  -0.120
   45    HA   PHE   5           HA       PHE   5  -1.722  -2.588   0.104
   46    HB2  PHE   5           HB2      PHE   5  -3.964  -2.401   1.208
   47    HB3  PHE   5           HB3      PHE   5  -4.668  -2.080  -0.354
   48    HD1  PHE   5           HD1      PHE   5  -2.211  -4.611   0.924
   49    HD2  PHE   5           HD2      PHE   5  -5.809  -3.853  -1.210
   50    HE1  PHE   5           HE1      PHE   5  -2.418  -6.999   0.423
   51    HE2  PHE   5           HE2      PHE   5  -6.024  -6.238  -1.703
   52    HZ   PHE   5           HZ       PHE   5  -4.325  -7.800  -0.891
   53    H    ASN   6           H        ASN   6  -0.921  -3.362  -1.758
   54    HA   ASN   6           HA       ASN   6  -1.938  -2.146  -4.225
   55    HB2  ASN   6           HB2      ASN   6   0.545  -2.008  -3.668
   56    HB3  ASN   6           HB3      ASN   6   0.602  -3.745  -3.778
   57   HD21  ASN   6          HD21      ASN   6  -0.382  -0.860  -5.690
   58   HD22  ASN   6          HD22      ASN   6   0.066  -1.521  -7.212
   59    H    ARG   7           H        ARG   7  -3.776  -3.340  -4.296
   60    HA   ARG   7           HA       ARG   7  -4.307  -5.956  -3.945
   61    HB2  ARG   7           HB2      ARG   7  -6.252  -5.658  -5.255
   62    HB3  ARG   7           HB3      ARG   7  -5.878  -4.127  -4.482
   63    HG2  ARG   7           HG2      ARG   7  -5.153  -3.151  -6.417
   64    HG3  ARG   7           HG3      ARG   7  -4.924  -4.686  -7.233
   65    HD2  ARG   7           HD2      ARG   7  -7.390  -5.036  -7.223
   66    HD3  ARG   7           HD3      ARG   7  -7.579  -3.425  -6.496
   67    HE   ARG   7           HE       ARG   7  -6.045  -3.341  -8.960
   68   HH11  ARG   7          HH11      ARG   7  -9.314  -3.470  -7.663
   69   HH12  ARG   7          HH12      ARG   7 -10.023  -2.730  -9.058
   70   HH21  ARG   7          HH21      ARG   7  -6.999  -2.369 -10.780
   71   HH22  ARG   7          HH22      ARG   7  -8.710  -2.105 -10.828
   72    H    ILE   8           H        ILE   8  -2.768  -4.609  -6.776
   73    HA   ILE   8           HA       ILE   8  -3.138  -6.860  -8.470
   74    HB   ILE   8           HB       ILE   8  -1.054  -4.660  -8.538
   75   HG12  ILE   8          HG12      ILE   8  -3.682  -4.359  -9.129
   76   HG13  ILE   8          HG13      ILE   8  -2.402  -3.458  -9.910
   77   HG21  ILE   8          HG21      ILE   8  -0.067  -6.559  -9.609
   78   HG22  ILE   8          HG22      ILE   8  -0.529  -5.385 -10.840
   79   HG23  ILE   8          HG23      ILE   8  -1.515  -6.823 -10.581
   80   HD11  ILE   8          HD11      ILE   8  -3.178  -4.154 -11.846
   81   HD12  ILE   8          HD12      ILE   8  -4.313  -5.248 -11.061
   82   HD13  ILE   8          HD13      ILE   8  -2.675  -5.790 -11.428
   83    H    THR   9           H        THR   9  -0.475  -5.939  -6.329
   84    HA   THR   9           HA       THR   9   0.783  -8.540  -6.805
   85    HB   THR   9           HB       THR   9   2.765  -7.591  -5.848
   86    HG1  THR   9           HG1      THR   9   2.655  -5.323  -5.185
   87   HG21  THR   9          HG21      THR   9   2.129  -6.983  -8.192
   88   HG22  THR   9          HG22      THR   9   3.264  -5.890  -7.397
   89   HG23  THR   9          HG23      THR   9   1.561  -5.445  -7.544
   90    H    GLY  10           H        GLY  10  -1.115  -6.939  -4.606
   91    HA2  GLY  10           HA2      GLY  10  -2.113  -7.632  -2.637
   92    HA3  GLY  10           HA3      GLY  10  -1.169  -9.089  -2.754
   93    H    LYS  11           H        LYS  11   0.745  -6.270  -2.994
   94    HA   LYS  11           HA       LYS  11   1.963  -6.770  -0.442
   95    HB2  LYS  11           HB2      LYS  11   2.524  -4.689  -2.561
   96    HB3  LYS  11           HB3      LYS  11   3.534  -5.035  -1.175
   97    HG2  LYS  11           HG2      LYS  11   2.894  -7.248  -3.047
   98    HG3  LYS  11           HG3      LYS  11   4.077  -6.034  -3.534
   99    HD2  LYS  11           HD2      LYS  11   4.238  -7.472  -0.900
  100    HD3  LYS  11           HD3      LYS  11   4.966  -8.117  -2.371
  101    HE2  LYS  11           HE2      LYS  11   6.331  -6.122  -2.601
  102    HE3  LYS  11           HE3      LYS  11   5.562  -5.408  -1.185
  103    HZ1  LYS  11           HZ1      LYS  11   7.124  -7.931  -1.127
  104    HZ2  LYS  11           HZ2      LYS  11   6.522  -7.076   0.202
  105    HZ3  LYS  11           HZ3      LYS  11   7.761  -6.413  -0.737
  106    H    ARG  12           H        ARG  12   2.432  -4.893   0.998
  107    HA   ARG  12           HA       ARG  12   0.711  -2.676   0.936
  108    HB2  ARG  12           HB2      ARG  12  -0.661  -3.222   2.754
  109    HB3  ARG  12           HB3      ARG  12  -0.693  -4.641   1.765
  110    HG2  ARG  12           HG2      ARG  12  -0.065  -5.860   3.488
  111    HG3  ARG  12           HG3      ARG  12   1.369  -4.882   3.713
  112    HD2  ARG  12           HD2      ARG  12   0.456  -3.639   5.336
  113    HD3  ARG  12           HD3      ARG  12  -1.163  -3.758   4.649
  114    HE   ARG  12           HE       ARG  12  -0.893  -6.241   5.511
  115   HH11  ARG  12          HH11      ARG  12   0.189  -3.320   7.141
  116   HH12  ARG  12          HH12      ARG  12  -0.001  -3.995   8.722
  117   HH21  ARG  12          HH21      ARG  12  -1.133  -7.107   7.596
  118   HH22  ARG  12          HH22      ARG  12  -0.749  -6.142   8.982
  119    H    GLN  13           H        GLN  13   1.563  -1.021   2.133
  120    HA   GLN  13           HA       GLN  13   3.689  -1.651   4.036
  121    HB2  GLN  13           HB2      GLN  13   3.939  -0.615   1.407
  122    HB3  GLN  13           HB3      GLN  13   4.434   0.624   2.548
  123    HG2  GLN  13           HG2      GLN  13   5.610  -1.674   3.499
  124    HG3  GLN  13           HG3      GLN  13   5.678  -1.794   1.774
  125   HE21  GLN  13          HE21      GLN  13   6.041   0.845   0.987
  126   HE22  GLN  13          HE22      GLN  13   7.552   1.410   1.625
  127    H    PHE  14           H        PHE  14   4.278  -0.055   5.456
  128    HA   PHE  14           HA       PHE  14   2.266   1.835   6.162
  129    HB2  PHE  14           HB2      PHE  14   4.955   1.080   7.387
  130    HB3  PHE  14           HB3      PHE  14   3.954   2.347   7.969
  131    HD1  PHE  14           HD1      PHE  14   1.380   1.605   8.329
  132    HD2  PHE  14           HD2      PHE  14   4.768  -0.954   8.474
  133    HE1  PHE  14           HE1      PHE  14   0.105   0.009   9.649
  134    HE2  PHE  14           HE2      PHE  14   3.493  -2.562   9.811
  135    HZ   PHE  14           HZ       PHE  14   1.159  -2.079  10.399
  136    H    GLU  15           H        GLU  15   5.444   1.672   4.681
  137    HA   GLU  15           HA       GLU  15   5.710   4.547   4.453
  138    HB2  GLU  15           HB2      GLU  15   7.696   3.394   4.921
  139    HB3  GLU  15           HB3      GLU  15   7.307   2.118   3.832
  140    HG2  GLU  15           HG2      GLU  15   9.002   3.109   2.826
  141    HG3  GLU  15           HG3      GLU  15   7.629   3.797   2.001
  142    H    ARG  16           H        ARG  16   6.472   5.071   2.241
  143    HA   ARG  16           HA       ARG  16   4.368   4.909   0.426
  144    HB2  ARG  16           HB2      ARG  16   5.971   6.711   0.350
  145    HB3  ARG  16           HB3      ARG  16   7.301   5.591   0.126
  146    HG2  ARG  16           HG2      ARG  16   6.440   4.964  -2.021
  147    HG3  ARG  16           HG3      ARG  16   5.103   6.098  -1.855
  148    HD2  ARG  16           HD2      ARG  16   7.849   7.162  -1.498
  149    HD3  ARG  16           HD3      ARG  16   7.374   6.708  -3.133
  150    HE   ARG  16           HE       ARG  16   5.787   8.413  -3.137
  151   HH11  ARG  16          HH11      ARG  16   7.424   8.257  -0.040
  152   HH12  ARG  16          HH12      ARG  16   6.854   9.808   0.473
  153   HH21  ARG  16          HH21      ARG  16   5.045  10.453  -2.450
  154   HH22  ARG  16          HH22      ARG  16   5.506  11.054  -0.893
  155    HA   PRO  17           HA       PRO  17   4.025   0.975  -1.442
  156    HB2  PRO  17           HB2      PRO  17   5.412   2.467  -3.643
  157    HB3  PRO  17           HB3      PRO  17   4.148   1.240  -3.774
  158    HG2  PRO  17           HG2      PRO  17   3.642   3.961  -3.621
  159    HG3  PRO  17           HG3      PRO  17   2.491   2.703  -3.176
  160    HD2  PRO  17           HD2      PRO  17   3.632   4.613  -1.470
  161    HD3  PRO  17           HD3      PRO  17   2.729   3.168  -1.011
  162    H    LYS  18           H        LYS  18   5.000  -0.855  -1.736
  163    HA   LYS  18           HA       LYS  18   7.789  -1.031  -1.057
  164    HB2  LYS  18           HB2      LYS  18   5.594  -2.851  -0.772
  165    HB3  LYS  18           HB3      LYS  18   6.692  -3.579  -1.943
  166    HG2  LYS  18           HG2      LYS  18   7.170  -2.925   0.936
  167    HG3  LYS  18           HG3      LYS  18   7.373  -4.452   0.082
  168    HD2  LYS  18           HD2      LYS  18   9.068  -2.144  -0.742
  169    HD3  LYS  18           HD3      LYS  18   9.451  -2.975   0.765
  170    HE2  LYS  18           HE2      LYS  18  10.046  -4.910  -0.291
  171    HE3  LYS  18           HE3      LYS  18   8.948  -4.639  -1.643
  172    HZ1  LYS  18           HZ1      LYS  18  11.488  -3.166  -1.186
  173    HZ2  LYS  18           HZ2      LYS  18  10.450  -2.976  -2.508
  174    HZ3  LYS  18           HZ3      LYS  18  11.280  -4.433  -2.288
  175    H    GLY  19           H        GLY  19   6.856   0.175  -3.533
  176    HA2  GLY  19           HA2      GLY  19   7.995   0.594  -5.498
  177    HA3  GLY  19           HA3      GLY  19   8.778  -0.977  -5.340
  178    H    LEU  20           H        LEU  20   5.264  -0.295  -5.071
  179    HA   LEU  20           HA       LEU  20   4.877  -1.516  -7.716
  180    HB2  LEU  20           HB2      LEU  20   4.218  -2.748  -5.124
  181    HB3  LEU  20           HB3      LEU  20   3.339  -3.225  -6.560
  182    HG   LEU  20           HG       LEU  20   6.331  -3.418  -6.515
  183   HD11  LEU  20          HD11      LEU  20   5.221  -4.460  -4.420
  184   HD12  LEU  20          HD12      LEU  20   6.405  -5.390  -5.339
  185   HD13  LEU  20          HD13      LEU  20   4.683  -5.704  -5.548
  186   HD21  LEU  20          HD21      LEU  20   4.135  -4.368  -8.176
  187   HD22  LEU  20          HD22      LEU  20   5.240  -5.658  -7.707
  188   HD23  LEU  20          HD23      LEU  20   5.857  -4.237  -8.545
  189    H    VAL  21           H        VAL  21   3.703   0.365  -8.281
  190    HA   VAL  21           HA       VAL  21   1.269   0.916  -6.842
  191    HB   VAL  21           HB       VAL  21   2.244   2.577  -9.075
  192   HG11  VAL  21          HG11      VAL  21   0.151   2.843  -7.153
  193   HG12  VAL  21          HG12      VAL  21   0.514   3.872  -8.538
  194   HG13  VAL  21          HG13      VAL  21   1.293   4.176  -6.986
  195   HG21  VAL  21          HG21      VAL  21   3.001   3.417  -6.425
  196   HG22  VAL  21          HG22      VAL  21   3.816   3.648  -7.965
  197   HG23  VAL  21          HG23      VAL  21   3.930   2.107  -7.132
  198    H    LYS  22           H        LYS  22  -0.145   1.964  -8.643
  199    HA   LYS  22           HA       LYS  22  -1.973   1.468  -9.848
  200    HB2  LYS  22           HB2      LYS  22   0.304   0.304 -11.116
  201    HB3  LYS  22           HB3      LYS  22  -1.195  -0.417 -11.663
  202    HG2  LYS  22           HG2      LYS  22  -1.841   1.487 -12.732
  203    HG3  LYS  22           HG3      LYS  22  -1.028   2.541 -11.580
  204    HD2  LYS  22           HD2      LYS  22   1.139   1.516 -12.629
  205    HD3  LYS  22           HD3      LYS  22   0.070   1.158 -13.988
  206    HE2  LYS  22           HE2      LYS  22   0.906   3.243 -14.549
  207    HE3  LYS  22           HE3      LYS  22  -0.625   3.646 -13.774
  208    HZ1  LYS  22           HZ1      LYS  22   2.036   3.706 -12.453
  209    HZ2  LYS  22           HZ2      LYS  22   0.564   4.125 -11.732
  210    HZ3  LYS  22           HZ3      LYS  22   1.181   5.060 -12.999
  211    H    GLY  23           H        GLY  23  -2.859   0.688  -8.191
  212    HA2  GLY  23           HA2      GLY  23  -4.228  -1.490  -7.794
  213    HA3  GLY  23           HA3      GLY  23  -2.643  -2.155  -7.506
  214    H    TRP  24           H        TRP  24  -1.973   0.728  -6.240
  215    HA   TRP  24           HA       TRP  24  -2.248  -0.115  -3.618
  216    HB2  TRP  24           HB2      TRP  24  -1.641   2.575  -4.837
  217    HB3  TRP  24           HB3      TRP  24  -1.697   2.333  -3.115
  218    HD1  TRP  24           HD1      TRP  24   0.767   2.617  -5.650
  219    HE1  TRP  24           HE1      TRP  24   2.909   1.308  -5.163
  220    HE3  TRP  24           HE3      TRP  24  -0.867  -0.245  -1.747
  221    HZ2  TRP  24           HZ2      TRP  24   3.798  -0.679  -3.408
  222    HZ3  TRP  24           HZ3      TRP  24   0.684  -1.908  -0.805
  223    HH2  TRP  24           HH2      TRP  24   2.983  -2.064  -1.560
  224    H    GLU  25           H        GLU  25  -3.614   0.374  -1.965
  225    HA   GLU  25           HA       GLU  25  -5.901   2.142  -2.481
  226    HB2  GLU  25           HB2      GLU  25  -6.107  -0.793  -1.852
  227    HB3  GLU  25           HB3      GLU  25  -7.255   0.305  -1.106
  228    HG2  GLU  25           HG2      GLU  25  -8.422  -0.201  -2.967
  229    HG3  GLU  25           HG3      GLU  25  -7.500   1.163  -3.595
  230    H    LYS  26           H        LYS  26  -5.353   3.659  -1.043
  231    HA   LYS  26           HA       LYS  26  -3.808   3.443   1.169
  232    HB2  LYS  26           HB2      LYS  26  -4.517   5.770   0.683
  233    HB3  LYS  26           HB3      LYS  26  -6.177   5.232   0.703
  234    HG2  LYS  26           HG2      LYS  26  -6.216   4.971   3.129
  235    HG3  LYS  26           HG3      LYS  26  -4.537   5.486   3.206
  236    HD2  LYS  26           HD2      LYS  26  -5.846   7.385   3.724
  237    HD3  LYS  26           HD3      LYS  26  -5.194   7.625   2.093
  238    HE2  LYS  26           HE2      LYS  26  -7.325   6.899   1.100
  239    HE3  LYS  26           HE3      LYS  26  -7.972   6.605   2.721
  240    HZ1  LYS  26           HZ1      LYS  26  -7.119   9.243   1.654
  241    HZ2  LYS  26           HZ2      LYS  26  -7.731   8.964   3.206
  242    HZ3  LYS  26           HZ3      LYS  26  -8.717   8.724   1.854
  243    H    ARG  27           H        ARG  27  -3.880   2.748   3.017
  244    HA   ARG  27           HA       ARG  27  -6.400   2.659   4.275
  245    HB2  ARG  27           HB2      ARG  27  -4.442   0.392   4.122
  246    HB3  ARG  27           HB3      ARG  27  -5.195   0.505   5.592
  247    HG2  ARG  27           HG2      ARG  27  -7.249  -0.157   4.714
  248    HG3  ARG  27           HG3      ARG  27  -6.903   0.553   3.144
  249    HD2  ARG  27           HD2      ARG  27  -6.906  -1.858   2.982
  250    HD3  ARG  27           HD3      ARG  27  -5.298  -1.216   2.664
  251    HE   ARG  27           HE       ARG  27  -5.233  -1.830   5.309
  252   HH11  ARG  27          HH11      ARG  27  -6.039  -3.637   2.421
  253   HH12  ARG  27          HH12      ARG  27  -5.552  -5.157   3.090
  254   HH21  ARG  27          HH21      ARG  27  -4.597  -3.836   6.186
  255   HH22  ARG  27          HH22      ARG  27  -4.732  -5.271   5.226
  256    H    TRP  28           H        TRP  28  -5.527   2.782   6.798
  257    HA   TRP  28           HA       TRP  28  -4.988   5.306   7.216
  258    HB2  TRP  28           HB2      TRP  28  -5.147   3.076   8.805
  259    HB3  TRP  28           HB3      TRP  28  -3.782   3.934   9.357
  260    HD1  TRP  28           HD1      TRP  28  -4.591   6.638   9.850
  261    HE1  TRP  28           HE1      TRP  28  -6.608   7.292  11.316
  262    HE3  TRP  28           HE3      TRP  28  -7.148   2.379   9.365
  263    HZ2  TRP  28           HZ2      TRP  28  -9.040   6.006  12.184
  264    HZ3  TRP  28           HZ3      TRP  28  -9.254   2.064  10.541
  265    HH2  TRP  28           HH2      TRP  28 -10.188   3.839  11.909
  266    H    ASP  29           H        ASP  29  -2.517   2.991   6.781
  267    HA   ASP  29           HA       ASP  29  -0.578   5.233   6.907
  268    HB2  ASP  29           HB2      ASP  29  -0.527   3.029   8.599
  269    HB3  ASP  29           HB3      ASP  29   0.630   2.600   7.333
  Start of MODEL   10
    1    H1   ARG   1           H1       ARG   1  -4.807   2.463  12.697
    2    H2   ARG   1           H2       ARG   1  -4.937   4.129  12.309
    3    H3   ARG   1           H3       ARG   1  -3.878   3.617  13.558
    4    HA   ARG   1           HA       ARG   1  -2.572   4.110  11.707
    5    HB2  ARG   1           HB2      ARG   1  -2.895   1.424  12.770
    6    HB3  ARG   1           HB3      ARG   1  -2.351   1.336  11.105
    7    HG2  ARG   1           HG2      ARG   1  -0.449   2.843  11.721
    8    HG3  ARG   1           HG3      ARG   1  -0.965   2.710  13.406
    9    HD2  ARG   1           HD2      ARG   1  -0.622   0.181  11.919
   10    HD3  ARG   1           HD3      ARG   1   0.846   1.085  12.280
   11    HE   ARG   1           HE       ARG   1  -0.038   1.047  14.669
   12   HH11  ARG   1          HH11      ARG   1  -0.638  -1.542  12.373
   13   HH12  ARG   1          HH12      ARG   1  -0.802  -2.748  13.602
   14   HH21  ARG   1          HH21      ARG   1  -0.254  -0.555  16.269
   15   HH22  ARG   1          HH22      ARG   1  -0.584  -2.191  15.808
   16    H    TRP   2           H        TRP   2  -1.887   3.162   9.553
   17    HA   TRP   2           HA       TRP   2  -3.875   2.491   7.641
   18    HB2  TRP   2           HB2      TRP   2  -4.623   4.454   7.581
   19    HB3  TRP   2           HB3      TRP   2  -3.577   4.968   8.698
   20    HD1  TRP   2           HD1      TRP   2  -1.478   6.182   7.983
   21    HE1  TRP   2           HE1      TRP   2  -1.271   7.978   6.122
   22    HE3  TRP   2           HE3      TRP   2  -5.351   4.683   5.216
   23    HZ2  TRP   2           HZ2      TRP   2  -2.742   8.672   3.752
   24    HZ3  TRP   2           HZ3      TRP   2  -6.017   5.966   3.271
   25    HH2  TRP   2           HH2      TRP   2  -4.718   7.903   2.495
   26    H    PHE   3           H        PHE   3  -3.075   2.504   5.562
   27    HA   PHE   3           HA       PHE   3  -0.321   2.752   4.895
   28    HB2  PHE   3           HB2      PHE   3   0.273   0.364   4.886
   29    HB3  PHE   3           HB3      PHE   3  -0.035   1.011   6.471
   30    HD1  PHE   3           HD1      PHE   3  -2.731   0.654   7.211
   31    HD2  PHE   3           HD2      PHE   3  -0.480  -1.639   4.392
   32    HE1  PHE   3           HE1      PHE   3  -4.344  -1.168   7.394
   33    HE2  PHE   3           HE2      PHE   3  -2.109  -3.473   4.591
   34    HZ   PHE   3           HZ       PHE   3  -4.058  -3.224   6.085
   35    H    TYR   4           H        TYR   4   0.274   1.371   2.903
   36    HA   TYR   4           HA       TYR   4  -1.957   1.622   1.073
   37    HB2  TYR   4           HB2      TYR   4   0.845   1.231   0.163
   38    HB3  TYR   4           HB3      TYR   4  -0.386   2.315  -0.387
   39    HD1  TYR   4           HD2      TYR   4  -0.655   3.347   2.742
   40    HD2  TYR   4           HD1      TYR   4   2.396   3.097  -0.195
   41    HE1  TYR   4           HE2      TYR   4   0.439   5.135   3.820
   42    HE2  TYR   4           HE1      TYR   4   3.554   4.950   0.912
   43    HH   TYR   4           HH       TYR   4   2.422   7.054   2.693
   44    H    PHE   5           H        PHE   5  -2.571   0.041  -0.359
   45    HA   PHE   5           HA       PHE   5  -1.415  -2.637   0.021
   46    HB2  PHE   5           HB2      PHE   5  -3.602  -2.363   1.125
   47    HB3  PHE   5           HB3      PHE   5  -4.325  -1.959  -0.401
   48    HD1  PHE   5           HD2      PHE   5  -2.062  -4.655   0.840
   49    HD2  PHE   5           HD1      PHE   5  -5.537  -3.602  -1.368
   50    HE1  PHE   5           HE2      PHE   5  -2.463  -7.024   0.347
   51    HE2  PHE   5           HE1      PHE   5  -5.933  -5.962  -1.888
   52    HZ   PHE   5           HZ       PHE   5  -4.398  -7.667  -1.022
   53    H    ASN   6           H        ASN   6  -0.845  -3.690  -1.809
   54    HA   ASN   6           HA       ASN   6  -1.768  -2.510  -4.344
   55    HB2  ASN   6           HB2      ASN   6   0.705  -2.625  -4.070
   56    HB3  ASN   6           HB3      ASN   6   0.603  -4.331  -3.746
   57   HD21  ASN   6          HD21      ASN   6  -0.740  -2.086  -6.180
   58   HD22  ASN   6          HD22      ASN   6  -0.336  -3.037  -7.558
   59    H    ARG   7           H        ARG   7  -3.648  -3.500  -4.843
   60    HA   ARG   7           HA       ARG   7  -4.358  -6.095  -4.198
   61    HB2  ARG   7           HB2      ARG   7  -5.250  -3.695  -5.428
   62    HB3  ARG   7           HB3      ARG   7  -5.761  -5.034  -6.365
   63    HG2  ARG   7           HG2      ARG   7  -6.310  -4.867  -3.419
   64    HG3  ARG   7           HG3      ARG   7  -7.288  -4.059  -4.622
   65    HD2  ARG   7           HD2      ARG   7  -7.897  -6.130  -5.688
   66    HD3  ARG   7           HD3      ARG   7  -6.722  -7.020  -4.698
   67    HE   ARG   7           HE       ARG   7  -8.739  -5.647  -3.099
   68   HH11  ARG   7          HH11      ARG   7  -8.039  -8.572  -4.928
   69   HH12  ARG   7          HH12      ARG   7  -9.180  -9.534  -4.052
   70   HH21  ARG   7          HH21      ARG   7 -10.231  -6.932  -1.963
   71   HH22  ARG   7          HH22      ARG   7 -10.425  -8.604  -2.370
   72    H    ILE   8           H        ILE   8  -2.047  -5.190  -6.467
   73    HA   ILE   8           HA       ILE   8  -2.801  -7.142  -8.487
   74    HB   ILE   8           HB       ILE   8  -0.335  -5.391  -8.247
   75   HG12  ILE   8          HG12      ILE   8  -2.813  -4.458  -8.807
   76   HG13  ILE   8          HG13      ILE   8  -1.338  -3.754  -9.441
   77   HG21  ILE   8          HG21      ILE   8   0.182  -5.976 -10.544
   78   HG22  ILE   8          HG22      ILE   8  -1.207  -7.060 -10.600
   79   HG23  ILE   8          HG23      ILE   8   0.144  -7.409  -9.518
   80   HD11  ILE   8          HD11      ILE   8  -2.019  -5.742 -11.276
   81   HD12  ILE   8          HD12      ILE   8  -2.193  -3.999 -11.460
   82   HD13  ILE   8          HD13      ILE   8  -3.538  -4.955 -10.843
   83    H    THR   9           H        THR   9  -0.075  -6.593  -6.256
   84    HA   THR   9           HA       THR   9   0.732  -9.377  -6.574
   85    HB   THR   9           HB       THR   9   2.825  -8.763  -5.596
   86    HG1  THR   9           HG1      THR   9   3.152  -6.652  -4.790
   87   HG21  THR   9          HG21      THR   9   2.316  -6.317  -7.176
   88   HG22  THR   9          HG22      THR   9   2.110  -7.881  -7.965
   89   HG23  THR   9          HG23      THR   9   3.666  -7.453  -7.246
   90    H    GLY  10           H        GLY  10  -0.747  -7.282  -4.384
   91    HA2  GLY  10           HA2      GLY  10  -2.053  -7.860  -2.542
   92    HA3  GLY  10           HA3      GLY  10  -1.268  -9.406  -2.536
   93    H    LYS  11           H        LYS  11   0.928  -6.770  -2.684
   94    HA   LYS  11           HA       LYS  11   1.750  -7.255   0.037
   95    HB2  LYS  11           HB2      LYS  11   2.985  -5.866  -2.334
   96    HB3  LYS  11           HB3      LYS  11   3.744  -5.910  -0.753
   97    HG2  LYS  11           HG2      LYS  11   2.947  -8.417  -2.173
   98    HG3  LYS  11           HG3      LYS  11   4.461  -7.597  -2.553
   99    HD2  LYS  11           HD2      LYS  11   3.934  -8.004   0.297
  100    HD3  LYS  11           HD3      LYS  11   4.176  -9.482  -0.628
  101    HE2  LYS  11           HE2      LYS  11   6.071  -7.182  -0.912
  102    HE3  LYS  11           HE3      LYS  11   6.222  -8.294   0.447
  103    HZ1  LYS  11           HZ1      LYS  11   6.381 -10.126  -1.154
  104    HZ2  LYS  11           HZ2      LYS  11   7.625  -8.998  -1.359
  105    HZ3  LYS  11           HZ3      LYS  11   6.318  -9.018  -2.433
  106    H    ARG  12           H        ARG  12   2.398  -5.289   1.332
  107    HA   ARG  12           HA       ARG  12   1.186  -2.809   0.810
  108    HB2  ARG  12           HB2      ARG  12  -0.535  -3.026   2.504
  109    HB3  ARG  12           HB3      ARG  12  -0.749  -4.124   1.186
  110    HG2  ARG  12           HG2      ARG  12   0.180  -5.905   2.607
  111    HG3  ARG  12           HG3      ARG  12   0.248  -4.778   3.940
  112    HD2  ARG  12           HD2      ARG  12  -2.313  -4.448   3.269
  113    HD3  ARG  12           HD3      ARG  12  -2.080  -6.055   2.591
  114    HE   ARG  12           HE       ARG  12  -2.183  -5.455   5.463
  115   HH11  ARG  12          HH11      ARG  12  -1.159  -7.742   2.991
  116   HH12  ARG  12          HH12      ARG  12  -1.132  -9.082   4.086
  117   HH21  ARG  12          HH21      ARG  12  -2.140  -7.222   6.872
  118   HH22  ARG  12          HH22      ARG  12  -1.689  -8.788   6.287
  119    H    GLN  13           H        GLN  13   1.933  -1.210   2.267
  120    HA   GLN  13           HA       GLN  13   2.742  -1.800   4.914
  121    HB2  GLN  13           HB2      GLN  13   4.987  -0.488   4.020
  122    HB3  GLN  13           HB3      GLN  13   4.885  -2.101   4.661
  123    HG2  GLN  13           HG2      GLN  13   5.922  -2.575   2.798
  124    HG3  GLN  13           HG3      GLN  13   4.313  -2.593   2.131
  125   HE21  GLN  13          HE21      GLN  13   3.687   0.012   1.687
  126   HE22  GLN  13          HE22      GLN  13   4.854   0.757   0.657
  127    H    PHE  14           H        PHE  14   4.102   0.121   5.692
  128    HA   PHE  14           HA       PHE  14   2.428   2.498   5.362
  129    HB2  PHE  14           HB2      PHE  14   3.433   1.510   7.631
  130    HB3  PHE  14           HB3      PHE  14   4.872   2.387   7.127
  131    HD1  PHE  14           HD1      PHE  14   1.247   3.151   7.043
  132    HD2  PHE  14           HD2      PHE  14   5.106   4.316   8.337
  133    HE1  PHE  14           HE1      PHE  14   0.290   5.199   8.009
  134    HE2  PHE  14           HE2      PHE  14   4.174   6.371   9.306
  135    HZ   PHE  14           HZ       PHE  14   1.763   6.806   9.138
  136    H    GLU  15           H        GLU  15   5.351   1.176   4.205
  137    HA   GLU  15           HA       GLU  15   6.727   3.632   3.645
  138    HB2  GLU  15           HB2      GLU  15   7.388   0.997   3.904
  139    HB3  GLU  15           HB3      GLU  15   7.508   1.246   2.210
  140    HG2  GLU  15           HG2      GLU  15   8.726   3.404   3.585
  141    HG3  GLU  15           HG3      GLU  15   9.327   1.886   4.237
  142    H    ARG  16           H        ARG  16   7.722   3.442   1.410
  143    HA   ARG  16           HA       ARG  16   5.993   4.428  -0.516
  144    HB2  ARG  16           HB2      ARG  16   8.365   4.764  -0.647
  145    HB3  ARG  16           HB3      ARG  16   8.674   3.040  -0.635
  146    HG2  ARG  16           HG2      ARG  16   7.461   2.909  -2.793
  147    HG3  ARG  16           HG3      ARG  16   7.507   4.670  -2.859
  148    HD2  ARG  16           HD2      ARG  16   9.981   2.999  -2.487
  149    HD3  ARG  16           HD3      ARG  16   9.356   3.402  -4.083
  150    HE   ARG  16           HE       ARG  16   9.901   5.653  -3.715
  151   HH11  ARG  16          HH11      ARG  16  10.794   3.655  -0.974
  152   HH12  ARG  16          HH12      ARG  16  11.852   4.846  -0.301
  153   HH21  ARG  16          HH21      ARG  16  11.295   7.211  -2.816
  154   HH22  ARG  16          HH22      ARG  16  12.137   6.862  -1.343
  155    HA   PRO  17           HA       PRO  17   3.765   0.850  -1.882
  156    HB2  PRO  17           HB2      PRO  17   4.522   1.445  -4.682
  157    HB3  PRO  17           HB3      PRO  17   2.924   1.260  -3.967
  158    HG2  PRO  17           HG2      PRO  17   3.920   3.662  -4.672
  159    HG3  PRO  17           HG3      PRO  17   2.816   3.448  -3.303
  160    HD2  PRO  17           HD2      PRO  17   5.741   3.950  -3.307
  161    HD3  PRO  17           HD3      PRO  17   4.525   4.381  -2.131
  162    H    LYS  18           H        LYS  18   4.357  -1.234  -2.080
  163    HA   LYS  18           HA       LYS  18   7.103  -1.939  -2.248
  164    HB2  LYS  18           HB2      LYS  18   4.864  -3.297  -1.344
  165    HB3  LYS  18           HB3      LYS  18   5.222  -4.143  -2.834
  166    HG2  LYS  18           HG2      LYS  18   6.788  -3.961  -0.313
  167    HG3  LYS  18           HG3      LYS  18   6.383  -5.368  -1.294
  168    HD2  LYS  18           HD2      LYS  18   8.098  -4.987  -2.798
  169    HD3  LYS  18           HD3      LYS  18   8.199  -3.269  -2.411
  170    HE2  LYS  18           HE2      LYS  18   8.881  -4.239  -0.034
  171    HE3  LYS  18           HE3      LYS  18   9.386  -5.609  -1.021
  172    HZ1  LYS  18           HZ1      LYS  18  10.781  -4.139  -2.315
  173    HZ2  LYS  18           HZ2      LYS  18  11.180  -4.012  -0.676
  174    HZ3  LYS  18           HZ3      LYS  18  10.265  -2.799  -1.419
  175    H    GLY  19           H        GLY  19   7.110  -0.563  -4.214
  176    HA2  GLY  19           HA2      GLY  19   8.190  -1.446  -6.374
  177    HA3  GLY  19           HA3      GLY  19   6.559  -2.003  -6.696
  178    H    LEU  20           H        LEU  20   6.176   0.971  -5.058
  179    HA   LEU  20           HA       LEU  20   5.393   2.983  -5.861
  180    HB2  LEU  20           HB2      LEU  20   8.062   2.503  -6.722
  181    HB3  LEU  20           HB3      LEU  20   7.268   3.434  -7.963
  182    HG   LEU  20           HG       LEU  20   7.401   4.326  -5.066
  183   HD11  LEU  20          HD11      LEU  20   9.245   5.760  -5.736
  184   HD12  LEU  20          HD12      LEU  20   9.244   5.028  -7.340
  185   HD13  LEU  20          HD13      LEU  20   9.657   4.056  -5.927
  186   HD21  LEU  20          HD21      LEU  20   5.976   5.893  -5.809
  187   HD22  LEU  20          HD22      LEU  20   6.153   5.358  -7.483
  188   HD23  LEU  20          HD23      LEU  20   7.302   6.503  -6.796
  189    H    VAL  21           H        VAL  21   3.744   1.372  -6.782
  190    HA   VAL  21           HA       VAL  21   3.349   1.908  -9.577
  191    HB   VAL  21           HB       VAL  21   2.257  -0.664  -8.741
  192   HG11  VAL  21          HG11      VAL  21   3.899  -0.804 -11.054
  193   HG12  VAL  21          HG12      VAL  21   2.962   0.684 -11.171
  194   HG13  VAL  21          HG13      VAL  21   2.139  -0.862 -10.967
  195   HG21  VAL  21          HG21      VAL  21   4.600  -0.276  -7.776
  196   HG22  VAL  21          HG22      VAL  21   5.105  -0.575  -9.426
  197   HG23  VAL  21          HG23      VAL  21   4.177  -1.791  -8.553
  198    H    LYS  22           H        LYS  22   1.216   0.740 -10.123
  199    HA   LYS  22           HA       LYS  22  -0.904   2.305  -8.878
  200    HB2  LYS  22           HB2      LYS  22  -0.658   0.861 -11.519
  201    HB3  LYS  22           HB3      LYS  22  -2.226   1.358 -10.900
  202    HG2  LYS  22           HG2      LYS  22  -1.842   3.557 -11.284
  203    HG3  LYS  22           HG3      LYS  22  -0.107   3.421 -10.991
  204    HD2  LYS  22           HD2      LYS  22  -0.056   2.080 -13.190
  205    HD3  LYS  22           HD3      LYS  22  -1.657   2.766 -13.477
  206    HE2  LYS  22           HE2      LYS  22  -0.285   4.295 -14.532
  207    HE3  LYS  22           HE3      LYS  22  -0.494   5.029 -12.943
  208    HZ1  LYS  22           HZ1      LYS  22   1.835   3.392 -13.795
  209    HZ2  LYS  22           HZ2      LYS  22   1.637   4.105 -12.275
  210    HZ3  LYS  22           HZ3      LYS  22   1.815   5.077 -13.647
  211    H    GLY  23           H        GLY  23  -3.112   0.915  -8.874
  212    HA2  GLY  23           HA2      GLY  23  -4.141  -1.234  -8.229
  213    HA3  GLY  23           HA3      GLY  23  -2.522  -1.884  -8.057
  214    H    TRP  24           H        TRP  24  -1.471   0.269  -6.577
  215    HA   TRP  24           HA       TRP  24  -1.804  -0.486  -3.975
  216    HB2  TRP  24           HB2      TRP  24  -0.673   1.935  -5.377
  217    HB3  TRP  24           HB3      TRP  24  -0.523   1.711  -3.655
  218    HD1  TRP  24           HD1      TRP  24   1.215   0.811  -6.814
  219    HE1  TRP  24           HE1      TRP  24   3.040  -0.864  -6.335
  220    HE3  TRP  24           HE3      TRP  24  -0.112  -0.509  -2.073
  221    HZ2  TRP  24           HZ2      TRP  24   3.826  -2.603  -4.289
  222    HZ3  TRP  24           HZ3      TRP  24   1.202  -2.279  -0.979
  223    HH2  TRP  24           HH2      TRP  24   3.145  -3.235  -2.026
  224    H    GLU  25           H        GLU  25  -3.158   0.161  -2.321
  225    HA   GLU  25           HA       GLU  25  -4.641   2.653  -2.489
  226    HB2  GLU  25           HB2      GLU  25  -5.946  -0.016  -2.906
  227    HB3  GLU  25           HB3      GLU  25  -6.806   1.211  -1.985
  228    HG2  GLU  25           HG2      GLU  25  -7.555   1.995  -3.911
  229    HG3  GLU  25           HG3      GLU  25  -5.919   2.574  -4.220
  230    H    LYS  26           H        LYS  26  -4.049   3.374  -0.483
  231    HA   LYS  26           HA       LYS  26  -3.685   1.595   1.658
  232    HB2  LYS  26           HB2      LYS  26  -3.302   3.737   2.988
  233    HB3  LYS  26           HB3      LYS  26  -2.326   3.755   1.520
  234    HG2  LYS  26           HG2      LYS  26  -4.999   5.068   1.618
  235    HG3  LYS  26           HG3      LYS  26  -3.599   5.791   2.384
  236    HD2  LYS  26           HD2      LYS  26  -3.081   6.698   0.435
  237    HD3  LYS  26           HD3      LYS  26  -2.568   5.068  -0.031
  238    HE2  LYS  26           HE2      LYS  26  -5.152   4.786  -0.650
  239    HE3  LYS  26           HE3      LYS  26  -5.076   6.553  -0.735
  240    HZ1  LYS  26           HZ1      LYS  26  -3.283   6.368  -2.345
  241    HZ2  LYS  26           HZ2      LYS  26  -4.659   5.547  -2.886
  242    HZ3  LYS  26           HZ3      LYS  26  -3.348   4.679  -2.261
  243    H    ARG  27           H        ARG  27  -4.675   1.635   3.676
  244    HA   ARG  27           HA       ARG  27  -7.551   2.278   3.625
  245    HB2  ARG  27           HB2      ARG  27  -6.725  -0.177   3.502
  246    HB3  ARG  27           HB3      ARG  27  -6.429  -0.035   5.206
  247    HG2  ARG  27           HG2      ARG  27  -8.664  -0.999   4.168
  248    HG3  ARG  27           HG3      ARG  27  -8.671  -0.117   5.677
  249    HD2  ARG  27           HD2      ARG  27 -10.471   0.514   4.050
  250    HD3  ARG  27           HD3      ARG  27  -9.468   1.858   4.569
  251    HE   ARG  27           HE       ARG  27  -8.553   0.666   2.127
  252   HH11  ARG  27          HH11      ARG  27 -10.824   2.964   3.478
  253   HH12  ARG  27          HH12      ARG  27 -10.946   3.885   2.018
  254   HH21  ARG  27          HH21      ARG  27  -8.716   1.883   0.210
  255   HH22  ARG  27          HH22      ARG  27  -9.749   3.272   0.162
  256    H    TRP  28           H        TRP  28  -8.451   2.770   5.541
  257    HA   TRP  28           HA       TRP  28  -6.609   3.820   7.571
  258    HB2  TRP  28           HB2      TRP  28  -8.241   5.438   6.578
  259    HB3  TRP  28           HB3      TRP  28  -9.541   4.509   7.291
  260    HD1  TRP  28           HD1      TRP  28 -10.328   5.499   9.434
  261    HE1  TRP  28           HE1      TRP  28  -9.321   6.807  11.397
  262    HE3  TRP  28           HE3      TRP  28  -5.559   5.855   7.740
  263    HZ2  TRP  28           HZ2      TRP  28  -6.785   7.854  12.133
  264    HZ3  TRP  28           HZ3      TRP  28  -3.869   6.997   9.126
  265    HH2  TRP  28           HH2      TRP  28  -4.484   7.991  11.274
  266    H    ASP  29           H        ASP  29  -6.223   2.386   9.032
  267    HA   ASP  29           HA       ASP  29  -8.436   0.820  10.179
  268    HB2  ASP  29           HB2      ASP  29  -6.537  -0.393   8.875
  269    HB3  ASP  29           HB3      ASP  29  -5.552  -0.071  10.299
  Start of MODEL   11
    1    H1   ARG   1           H1       ARG   1  -3.869   3.732  13.030
    2    H2   ARG   1           H2       ARG   1  -4.898   3.383  11.701
    3    H3   ARG   1           H3       ARG   1  -4.431   5.001  12.027
    4    HA   ARG   1           HA       ARG   1  -2.273   4.656  11.381
    5    HB2  ARG   1           HB2      ARG   1  -2.755   2.063  12.375
    6    HB3  ARG   1           HB3      ARG   1  -2.426   1.825  10.671
    7    HG2  ARG   1           HG2      ARG   1  -0.303   3.189  11.048
    8    HG3  ARG   1           HG3      ARG   1  -0.616   2.979  12.775
    9    HD2  ARG   1           HD2      ARG   1  -0.915   0.441  11.664
   10    HD3  ARG   1           HD3      ARG   1   0.493   1.130  10.857
   11    HE   ARG   1           HE       ARG   1   0.494   1.434  13.725
   12   HH11  ARG   1          HH11      ARG   1   1.418  -0.626  11.047
   13   HH12  ARG   1          HH12      ARG   1   2.660  -1.435  11.940
   14   HH21  ARG   1          HH21      ARG   1   2.131   0.365  14.895
   15   HH22  ARG   1          HH22      ARG   1   3.065  -0.874  14.125
   16    H    TRP   2           H        TRP   2  -1.562   4.625   9.246
   17    HA   TRP   2           HA       TRP   2  -3.640   4.107   7.221
   18    HB2  TRP   2           HB2      TRP   2  -1.622   6.300   7.503
   19    HB3  TRP   2           HB3      TRP   2  -2.228   5.894   5.942
   20    HD1  TRP   2           HD1      TRP   2  -2.934   7.996   8.808
   21    HE1  TRP   2           HE1      TRP   2  -5.275   9.073   8.618
   22    HE3  TRP   2           HE3      TRP   2  -4.730   5.194   5.020
   23    HZ2  TRP   2           HZ2      TRP   2  -7.598   8.738   7.012
   24    HZ3  TRP   2           HZ3      TRP   2  -7.009   5.595   4.178
   25    HH2  TRP   2           HH2      TRP   2  -8.416   7.341   5.159
   26    H    PHE   3           H        PHE   3  -2.790   3.470   5.084
   27    HA   PHE   3           HA       PHE   3  -0.176   2.888   4.508
   28    HB2  PHE   3           HB2      PHE   3   0.172   0.574   4.880
   29    HB3  PHE   3           HB3      PHE   3  -0.318   1.301   6.355
   30    HD1  PHE   3           HD1      PHE   3  -3.267   1.311   6.190
   31    HD2  PHE   3           HD2      PHE   3  -0.471  -1.608   4.870
   32    HE1  PHE   3           HE1      PHE   3  -5.031  -0.393   6.237
   33    HE2  PHE   3           HE2      PHE   3  -2.225  -3.329   4.926
   34    HZ   PHE   3           HZ       PHE   3  -4.524  -2.705   5.599
   35    H    TYR   4           H        TYR   4   0.047   1.097   2.846
   36    HA   TYR   4           HA       TYR   4  -1.914   1.698   0.783
   37    HB2  TYR   4           HB2      TYR   4   0.747   0.560   0.255
   38    HB3  TYR   4           HB3      TYR   4  -0.026   1.856  -0.464
   39    HD1  TYR   4           HD1      TYR   4  -0.537   3.327   2.215
   40    HD2  TYR   4           HD2      TYR   4   3.062   1.735   0.438
   41    HE1  TYR   4           HE1      TYR   4   0.702   4.994   3.345
   42    HE2  TYR   4           HE2      TYR   4   4.275   3.470   1.650
   43    HH   TYR   4           HH       TYR   4   3.600   4.932   4.094
   44    H    PHE   5           H        PHE   5  -2.319  -0.024  -0.920
   45    HA   PHE   5           HA       PHE   5  -1.825  -2.741   0.003
   46    HB2  PHE   5           HB2      PHE   5  -3.998  -2.112   0.965
   47    HB3  PHE   5           HB3      PHE   5  -4.618  -1.766  -0.629
   48    HD1  PHE   5           HD2      PHE   5  -2.726  -4.569   0.992
   49    HD2  PHE   5           HD1      PHE   5  -5.909  -3.367  -1.578
   50    HE1  PHE   5           HE2      PHE   5  -3.333  -6.923   0.608
   51    HE2  PHE   5           HE1      PHE   5  -6.474  -5.699  -2.000
   52    HZ   PHE   5           HZ       PHE   5  -5.181  -7.463  -0.937
   53    H    ASN   6           H        ASN   6  -1.498  -4.185  -1.688
   54    HA   ASN   6           HA       ASN   6  -2.043  -3.093  -4.376
   55    HB2  ASN   6           HB2      ASN   6   0.333  -3.647  -3.751
   56    HB3  ASN   6           HB3      ASN   6  -0.125  -5.280  -3.505
   57   HD21  ASN   6          HD21      ASN   6   0.731  -2.889  -5.968
   58   HD22  ASN   6          HD22      ASN   6   0.531  -3.938  -7.310
   59    H    ARG   7           H        ARG   7  -3.514  -4.055  -5.555
   60    HA   ARG   7           HA       ARG   7  -5.034  -6.197  -4.405
   61    HB2  ARG   7           HB2      ARG   7  -6.696  -5.592  -5.882
   62    HB3  ARG   7           HB3      ARG   7  -5.773  -4.098  -5.734
   63    HG2  ARG   7           HG2      ARG   7  -4.800  -4.314  -7.771
   64    HG3  ARG   7           HG3      ARG   7  -5.131  -6.030  -7.884
   65    HD2  ARG   7           HD2      ARG   7  -7.570  -5.520  -8.052
   66    HD3  ARG   7           HD3      ARG   7  -7.162  -3.790  -8.077
   67    HE   ARG   7           HE       ARG   7  -5.741  -5.261 -10.131
   68   HH11  ARG   7          HH11      ARG   7  -8.850  -3.811  -9.349
   69   HH12  ARG   7          HH12      ARG   7  -9.289  -3.572 -11.006
   70   HH21  ARG   7          HH21      ARG   7  -6.338  -4.937 -12.301
   71   HH22  ARG   7          HH22      ARG   7  -7.863  -4.211 -12.682
   72    H    ILE   8           H        ILE   8  -2.650  -5.985  -6.932
   73    HA   ILE   8           HA       ILE   8  -3.399  -8.524  -8.109
   74    HB   ILE   8           HB       ILE   8  -0.964  -6.786  -8.631
   75   HG12  ILE   8          HG12      ILE   8  -3.631  -6.912 -10.067
   76   HG13  ILE   8          HG13      ILE   8  -2.757  -5.508  -9.485
   77   HG21  ILE   8          HG21      ILE   8  -0.605  -9.174  -9.151
   78   HG22  ILE   8          HG22      ILE   8  -0.497  -8.120 -10.560
   79   HG23  ILE   8          HG23      ILE   8  -1.943  -9.093 -10.299
   80   HD11  ILE   8          HD11      ILE   8  -0.999  -6.090 -11.224
   81   HD12  ILE   8          HD12      ILE   8  -2.537  -5.437 -11.788
   82   HD13  ILE   8          HD13      ILE   8  -2.218  -7.167 -11.907
   83    H    THR   9           H        THR   9  -0.685  -7.333  -6.133
   84    HA   THR   9           HA       THR   9   0.208 -10.098  -5.808
   85    HB   THR   9           HB       THR   9   2.321  -9.213  -5.147
   86    HG1  THR   9           HG1      THR   9   2.638  -6.986  -4.909
   87   HG21  THR   9          HG21      THR   9   1.705  -7.274  -7.273
   88   HG22  THR   9          HG22      THR   9   1.427  -8.980  -7.625
   89   HG23  THR   9          HG23      THR   9   3.034  -8.428  -7.142
   90    H    GLY  10           H        GLY  10  -1.358  -7.634  -4.177
   91    HA2  GLY  10           HA2      GLY  10  -2.098  -7.346  -1.987
   92    HA3  GLY  10           HA3      GLY  10  -2.001  -9.089  -1.939
   93    H    LYS  11           H        LYS  11   0.865  -6.938  -2.396
   94    HA   LYS  11           HA       LYS  11   1.873  -8.166   0.033
   95    HB2  LYS  11           HB2      LYS  11   3.456  -6.831  -2.161
   96    HB3  LYS  11           HB3      LYS  11   4.083  -7.770  -0.840
   97    HG2  LYS  11           HG2      LYS  11   2.162  -9.017  -2.724
   98    HG3  LYS  11           HG3      LYS  11   3.846  -8.815  -3.199
   99    HD2  LYS  11           HD2      LYS  11   2.967 -10.194  -0.668
  100    HD3  LYS  11           HD3      LYS  11   3.297 -11.036  -2.181
  101    HE2  LYS  11           HE2      LYS  11   5.590 -10.092  -2.150
  102    HE3  LYS  11           HE3      LYS  11   5.243  -9.385  -0.573
  103    HZ1  LYS  11           HZ1      LYS  11   4.836 -11.636   0.272
  104    HZ2  LYS  11           HZ2      LYS  11   6.414 -11.455  -0.310
  105    HZ3  LYS  11           HZ3      LYS  11   5.263 -12.281  -1.234
  106    H    ARG  12           H        ARG  12   0.250  -6.149   0.514
  107    HA   ARG  12           HA       ARG  12   0.861  -3.615   0.921
  108    HB2  ARG  12           HB2      ARG  12  -0.542  -3.573   2.855
  109    HB3  ARG  12           HB3      ARG  12  -1.174  -4.851   1.851
  110    HG2  ARG  12           HG2      ARG  12  -1.187  -5.996   3.770
  111    HG3  ARG  12           HG3      ARG  12   0.524  -6.235   3.440
  112    HD2  ARG  12           HD2      ARG  12   1.143  -4.986   5.180
  113    HD3  ARG  12           HD3      ARG  12   0.017  -3.701   4.746
  114    HE   ARG  12           HE       ARG  12  -1.343  -5.919   5.913
  115   HH11  ARG  12          HH11      ARG  12   0.605  -3.115   6.705
  116   HH12  ARG  12          HH12      ARG  12  -0.052  -2.958   8.299
  117   HH21  ARG  12          HH21      ARG  12  -2.201  -5.705   8.013
  118   HH22  ARG  12          HH22      ARG  12  -1.643  -4.429   9.043
  119    H    GLN  13           H        GLN  13   1.982  -2.360   2.416
  120    HA   GLN  13           HA       GLN  13   3.803  -3.384   4.416
  121    HB2  GLN  13           HB2      GLN  13   5.322  -1.602   2.774
  122    HB3  GLN  13           HB3      GLN  13   5.733  -3.185   3.365
  123    HG2  GLN  13           HG2      GLN  13   5.372  -4.160   1.485
  124    HG3  GLN  13           HG3      GLN  13   4.011  -3.198   1.020
  125   HE21  GLN  13          HE21      GLN  13   4.817  -0.776   0.373
  126   HE22  GLN  13          HE22      GLN  13   6.135  -0.765  -0.705
  127    H    PHE  14           H        PHE  14   5.313  -1.175   4.533
  128    HA   PHE  14           HA       PHE  14   3.434   1.036   4.992
  129    HB2  PHE  14           HB2      PHE  14   4.494  -0.418   7.003
  130    HB3  PHE  14           HB3      PHE  14   5.882   0.607   6.713
  131    HD1  PHE  14           HD1      PHE  14   2.233   1.273   6.752
  132    HD2  PHE  14           HD2      PHE  14   6.048   2.200   8.334
  133    HE1  PHE  14           HE1      PHE  14   1.242   3.078   8.072
  134    HE2  PHE  14           HE2      PHE  14   5.068   4.003   9.681
  135    HZ   PHE  14           HZ       PHE  14   2.654   4.438   9.545
  136    H    GLU  15           H        GLU  15   6.064  -0.096   3.234
  137    HA   GLU  15           HA       GLU  15   7.736   2.227   3.419
  138    HB2  GLU  15           HB2      GLU  15   8.130  -0.376   2.847
  139    HB3  GLU  15           HB3      GLU  15   8.195   0.330   1.280
  140    HG2  GLU  15           HG2      GLU  15   9.671   1.900   3.101
  141    HG3  GLU  15           HG3      GLU  15  10.142   0.217   3.274
  142    H    ARG  16           H        ARG  16   8.656   2.804   1.320
  143    HA   ARG  16           HA       ARG  16   7.115   4.561   0.051
  144    HB2  ARG  16           HB2      ARG  16   9.399   4.881   0.062
  145    HB3  ARG  16           HB3      ARG  16   9.674   3.305  -0.649
  146    HG2  ARG  16           HG2      ARG  16   8.778   4.047  -2.734
  147    HG3  ARG  16           HG3      ARG  16   8.458   5.648  -2.071
  148    HD2  ARG  16           HD2      ARG  16  10.490   5.858  -3.249
  149    HD3  ARG  16           HD3      ARG  16  10.940   5.757  -1.548
  150    HE   ARG  16           HE       ARG  16  10.955   3.248  -2.999
  151   HH11  ARG  16          HH11      ARG  16  12.831   5.994  -1.900
  152   HH12  ARG  16          HH12      ARG  16  14.344   5.162  -2.019
  153   HH21  ARG  16          HH21      ARG  16  12.952   2.159  -3.155
  154   HH22  ARG  16          HH22      ARG  16  14.414   2.986  -2.732
  155    HA   PRO  17           HA       PRO  17   6.287   1.502  -3.521
  156    HB2  PRO  17           HB2      PRO  17   6.542  -1.111  -2.624
  157    HB3  PRO  17           HB3      PRO  17   7.714  -0.235  -3.616
  158    HG2  PRO  17           HG2      PRO  17   7.914  -0.985  -0.846
  159    HG3  PRO  17           HG3      PRO  17   9.141  -0.130  -1.812
  160    HD2  PRO  17           HD2      PRO  17   7.182   0.923   0.121
  161    HD3  PRO  17           HD3      PRO  17   8.573   1.712  -0.493
  162    H    LYS  18           H        LYS  18   4.567  -0.021  -3.837
  163    HA   LYS  18           HA       LYS  18   2.528  -0.554  -3.465
  164    HB2  LYS  18           HB2      LYS  18   2.177  -1.776  -1.525
  165    HB3  LYS  18           HB3      LYS  18   3.863  -1.421  -1.284
  166    HG2  LYS  18           HG2      LYS  18   3.465  -0.030   0.342
  167    HG3  LYS  18           HG3      LYS  18   2.059   0.660  -0.401
  168    HD2  LYS  18           HD2      LYS  18   0.695  -1.172   0.257
  169    HD3  LYS  18           HD3      LYS  18   2.107  -2.062   0.828
  170    HE2  LYS  18           HE2      LYS  18   2.488  -0.439   2.545
  171    HE3  LYS  18           HE3      LYS  18   1.217   0.565   1.949
  172    HZ1  LYS  18           HZ1      LYS  18   0.154  -1.987   2.469
  173    HZ2  LYS  18           HZ2      LYS  18  -0.254  -0.553   3.221
  174    HZ3  LYS  18           HZ3      LYS  18   1.001  -1.476   3.833
  175    H    GLY  19           H        GLY  19   3.757   2.058  -3.243
  176    HA2  GLY  19           HA2      GLY  19   1.437   3.736  -2.923
  177    HA3  GLY  19           HA3      GLY  19   2.912   4.170  -2.035
  178    H    LEU  20           H        LEU  20   4.961   3.401  -3.674
  179    HA   LEU  20           HA       LEU  20   4.470   5.102  -6.027
  180    HB2  LEU  20           HB2      LEU  20   6.887   4.371  -4.497
  181    HB3  LEU  20           HB3      LEU  20   7.103   4.702  -6.195
  182    HG   LEU  20           HG       LEU  20   5.728   6.737  -4.456
  183   HD11  LEU  20          HD11      LEU  20   8.267   7.629  -4.456
  184   HD12  LEU  20          HD12      LEU  20   8.535   5.894  -4.282
  185   HD13  LEU  20          HD13      LEU  20   7.522   6.751  -3.120
  186   HD21  LEU  20          HD21      LEU  20   6.838   6.590  -7.145
  187   HD22  LEU  20          HD22      LEU  20   7.477   7.952  -6.228
  188   HD23  LEU  20          HD23      LEU  20   5.737   7.777  -6.441
  189    H    VAL  21           H        VAL  21   3.344   2.641  -5.902
  190    HA   VAL  21           HA       VAL  21   4.387   1.271  -8.172
  191    HB   VAL  21           HB       VAL  21   3.782   0.012  -5.606
  192   HG11  VAL  21          HG11      VAL  21   4.138  -1.209  -8.368
  193   HG12  VAL  21          HG12      VAL  21   2.741  -1.432  -7.323
  194   HG13  VAL  21          HG13      VAL  21   4.293  -2.143  -6.888
  195   HG21  VAL  21          HG21      VAL  21   5.884  -0.844  -5.792
  196   HG22  VAL  21          HG22      VAL  21   5.892   0.921  -5.961
  197   HG23  VAL  21          HG23      VAL  21   6.071  -0.115  -7.387
  198    H    LYS  22           H        LYS  22   2.913  -0.173  -9.042
  199    HA   LYS  22           HA       LYS  22   0.262   1.010  -9.288
  200    HB2  LYS  22           HB2      LYS  22   1.410  -1.223 -10.957
  201    HB3  LYS  22           HB3      LYS  22   0.011  -0.232 -11.328
  202    HG2  LYS  22           HG2      LYS  22   1.489   0.849 -12.633
  203    HG3  LYS  22           HG3      LYS  22   1.856   1.697 -11.131
  204    HD2  LYS  22           HD2      LYS  22   3.978   1.089 -11.561
  205    HD3  LYS  22           HD3      LYS  22   3.480  -0.483 -10.935
  206    HE2  LYS  22           HE2      LYS  22   2.882  -1.146 -13.259
  207    HE3  LYS  22           HE3      LYS  22   3.556   0.382 -13.822
  208    HZ1  LYS  22           HZ1      LYS  22   5.702  -0.265 -12.961
  209    HZ2  LYS  22           HZ2      LYS  22   5.132  -1.457 -14.016
  210    HZ3  LYS  22           HZ3      LYS  22   5.066  -1.707 -12.345
  211    H    GLY  23           H        GLY  23  -1.660  -0.191  -9.261
  212    HA2  GLY  23           HA2      GLY  23  -3.054  -2.118  -8.648
  213    HA3  GLY  23           HA3      GLY  23  -1.610  -2.898  -8.048
  214    H    TRP  24           H        TRP  24  -0.780  -0.525  -6.629
  215    HA   TRP  24           HA       TRP  24  -1.742  -1.089  -4.117
  216    HB2  TRP  24           HB2      TRP  24   0.010   1.061  -5.289
  217    HB3  TRP  24           HB3      TRP  24  -0.220   0.852  -3.572
  218    HD1  TRP  24           HD1      TRP  24   1.980  -0.288  -6.284
  219    HE1  TRP  24           HE1      TRP  24   3.363  -2.347  -5.506
  220    HE3  TRP  24           HE3      TRP  24  -0.467  -1.282  -1.961
  221    HZ2  TRP  24           HZ2      TRP  24   3.275  -4.249  -3.411
  222    HZ3  TRP  24           HZ3      TRP  24   0.141  -3.329  -0.696
  223    HH2  TRP  24           HH2      TRP  24   2.002  -4.698  -1.358
  224    H    GLU  25           H        GLU  25  -2.979   0.063  -2.628
  225    HA   GLU  25           HA       GLU  25  -4.102   2.655  -3.336
  226    HB2  GLU  25           HB2      GLU  25  -5.793   0.171  -3.063
  227    HB3  GLU  25           HB3      GLU  25  -6.441   1.756  -2.673
  228    HG2  GLU  25           HG2      GLU  25  -7.072   1.741  -4.819
  229    HG3  GLU  25           HG3      GLU  25  -5.416   2.271  -5.100
  230    H    LYS  26           H        LYS  26  -3.720   3.831  -1.537
  231    HA   LYS  26           HA       LYS  26  -3.176   2.603   0.952
  232    HB2  LYS  26           HB2      LYS  26  -2.125   4.845   0.433
  233    HB3  LYS  26           HB3      LYS  26  -3.705   5.535   0.221
  234    HG2  LYS  26           HG2      LYS  26  -4.159   5.533   2.564
  235    HG3  LYS  26           HG3      LYS  26  -2.702   4.596   2.909
  236    HD2  LYS  26           HD2      LYS  26  -1.443   6.525   1.752
  237    HD3  LYS  26           HD3      LYS  26  -2.939   7.436   2.008
  238    HE2  LYS  26           HE2      LYS  26  -2.829   7.041   4.418
  239    HE3  LYS  26           HE3      LYS  26  -1.391   6.035   4.190
  240    HZ1  LYS  26           HZ1      LYS  26  -0.184   7.957   3.404
  241    HZ2  LYS  26           HZ2      LYS  26  -0.839   8.278   4.929
  242    HZ3  LYS  26           HZ3      LYS  26  -1.562   8.930   3.546
  243    H    ARG  27           H        ARG  27  -4.416   2.028   2.585
  244    HA   ARG  27           HA       ARG  27  -7.241   2.870   2.593
  245    HB2  ARG  27           HB2      ARG  27  -6.273   0.288   2.268
  246    HB3  ARG  27           HB3      ARG  27  -6.755   0.264   3.922
  247    HG2  ARG  27           HG2      ARG  27  -8.327   0.535   1.400
  248    HG3  ARG  27           HG3      ARG  27  -8.638  -0.433   2.823
  249    HD2  ARG  27           HD2      ARG  27  -9.634   1.319   3.963
  250    HD3  ARG  27           HD3      ARG  27  -8.836   2.541   2.976
  251    HE   ARG  27           HE       ARG  27 -11.303   1.175   2.398
  252   HH11  ARG  27          HH11      ARG  27  -8.628   2.979   1.033
  253   HH12  ARG  27          HH12      ARG  27  -9.520   3.481  -0.362
  254   HH21  ARG  27          HH21      ARG  27 -12.472   1.841   0.556
  255   HH22  ARG  27          HH22      ARG  27 -11.701   2.836  -0.633
  256    H    TRP  28           H        TRP  28  -8.243   2.415   4.742
  257    HA   TRP  28           HA       TRP  28  -6.669   3.717   6.812
  258    HB2  TRP  28           HB2      TRP  28  -8.938   4.549   6.323
  259    HB3  TRP  28           HB3      TRP  28  -9.605   2.979   6.733
  260    HD1  TRP  28           HD1      TRP  28 -10.936   3.434   8.841
  261    HE1  TRP  28           HE1      TRP  28 -10.455   4.441  11.144
  262    HE3  TRP  28           HE3      TRP  28  -6.220   5.174   7.975
  263    HZ2  TRP  28           HZ2      TRP  28  -8.345   5.808  12.439
  264    HZ3  TRP  28           HZ3      TRP  28  -5.037   6.325   9.797
  265    HH2  TRP  28           HH2      TRP  28  -6.077   6.636  11.981
  266    H    ASP  29           H        ASP  29  -6.164   2.842   8.785
  267    HA   ASP  29           HA       ASP  29  -6.763  -0.023   9.166
  268    HB2  ASP  29           HB2      ASP  29  -4.311   0.693   8.677
  269    HB3  ASP  29           HB3      ASP  29  -4.313   1.286  10.326
  Start of MODEL   12
    1    H1   ARG   1           H1       ARG   1  -5.414   3.527  11.468
    2    H2   ARG   1           H2       ARG   1  -4.485   3.871  12.868
    3    H3   ARG   1           H3       ARG   1  -4.274   2.384  12.037
    4    HA   ARG   1           HA       ARG   1  -3.477   5.092  11.244
    5    HB2  ARG   1           HB2      ARG   1  -2.231   2.564  12.084
    6    HB3  ARG   1           HB3      ARG   1  -1.513   3.236  10.634
    7    HG2  ARG   1           HG2      ARG   1  -1.058   5.332  11.826
    8    HG3  ARG   1           HG3      ARG   1  -1.776   4.647  13.289
    9    HD2  ARG   1           HD2      ARG   1   0.506   3.313  11.873
   10    HD3  ARG   1           HD3      ARG   1   0.769   4.583  13.065
   11    HE   ARG   1           HE       ARG   1  -0.801   2.894  14.417
   12   HH11  ARG   1          HH11      ARG   1   2.073   2.315  12.498
   13   HH12  ARG   1          HH12      ARG   1   2.558   0.934  13.422
   14   HH21  ARG   1          HH21      ARG   1  -0.154   1.074  15.628
   15   HH22  ARG   1          HH22      ARG   1   1.294   0.228  15.197
   16    H    TRP   2           H        TRP   2  -2.309   5.100   9.112
   17    HA   TRP   2           HA       TRP   2  -4.031   3.829   7.109
   18    HB2  TRP   2           HB2      TRP   2  -2.240   6.241   6.983
   19    HB3  TRP   2           HB3      TRP   2  -3.106   5.616   5.624
   20    HD1  TRP   2           HD1      TRP   2  -3.401   8.110   8.198
   21    HE1  TRP   2           HE1      TRP   2  -5.829   8.973   8.396
   22    HE3  TRP   2           HE3      TRP   2  -5.680   4.491   5.537
   23    HZ2  TRP   2           HZ2      TRP   2  -8.405   8.171   7.491
   24    HZ3  TRP   2           HZ3      TRP   2  -8.120   4.574   5.205
   25    HH2  TRP   2           HH2      TRP   2  -9.459   6.379   6.173
   26    H    PHE   3           H        PHE   3  -3.155   2.919   5.208
   27    HA   PHE   3           HA       PHE   3  -0.367   2.704   4.768
   28    HB2  PHE   3           HB2      PHE   3  -0.080   0.311   4.960
   29    HB3  PHE   3           HB3      PHE   3  -0.422   1.095   6.479
   30    HD1  PHE   3           HD1      PHE   3  -3.167   1.083   6.946
   31    HD2  PHE   3           HD2      PHE   3  -0.931  -1.693   4.628
   32    HE1  PHE   3           HE1      PHE   3  -4.969  -0.581   7.195
   33    HE2  PHE   3           HE2      PHE   3  -2.710  -3.367   4.885
   34    HZ   PHE   3           HZ       PHE   3  -4.744  -2.803   6.166
   35    H    TYR   4           H        TYR   4   0.185   1.406   2.890
   36    HA   TYR   4           HA       TYR   4  -1.979   1.729   0.991
   37    HB2  TYR   4           HB2      TYR   4   0.885   1.435   0.211
   38    HB3  TYR   4           HB3      TYR   4  -0.376   2.418  -0.438
   39    HD1  TYR   4           HD2      TYR   4  -0.815   3.406   2.767
   40    HD2  TYR   4           HD1      TYR   4   2.247   3.512  -0.221
   41    HE1  TYR   4           HE2      TYR   4   0.146   5.267   3.880
   42    HE2  TYR   4           HE1      TYR   4   3.216   5.446   0.924
   43    HH   TYR   4           HH       TYR   4   1.925   7.385   2.755
   44    H    PHE   5           H        PHE   5  -2.769   0.176  -0.183
   45    HA   PHE   5           HA       PHE   5  -1.547  -2.495  -0.037
   46    HB2  PHE   5           HB2      PHE   5  -3.793  -2.208   1.024
   47    HB3  PHE   5           HB3      PHE   5  -4.446  -1.818  -0.543
   48    HD1  PHE   5           HD2      PHE   5  -2.178  -4.497   0.753
   49    HD2  PHE   5           HD1      PHE   5  -5.647  -3.494  -1.483
   50    HE1  PHE   5           HE2      PHE   5  -2.521  -6.863   0.226
   51    HE2  PHE   5           HE1      PHE   5  -5.990  -5.852  -2.027
   52    HZ   PHE   5           HZ       PHE   5  -4.423  -7.525  -1.181
   53    H    ASN   6           H        ASN   6  -0.780  -3.300  -1.911
   54    HA   ASN   6           HA       ASN   6  -1.744  -2.037  -4.378
   55    HB2  ASN   6           HB2      ASN   6   0.742  -1.966  -3.947
   56    HB3  ASN   6           HB3      ASN   6   0.750  -3.705  -3.900
   57   HD21  ASN   6          HD21      ASN   6  -0.094  -0.952  -6.061
   58   HD22  ASN   6          HD22      ASN   6   0.247  -1.784  -7.529
   59    H    ARG   7           H        ARG   7  -3.566  -3.107  -4.690
   60    HA   ARG   7           HA       ARG   7  -4.218  -5.738  -4.307
   61    HB2  ARG   7           HB2      ARG   7  -6.133  -5.300  -5.574
   62    HB3  ARG   7           HB3      ARG   7  -5.632  -3.754  -4.905
   63    HG2  ARG   7           HG2      ARG   7  -4.867  -2.955  -6.885
   64    HG3  ARG   7           HG3      ARG   7  -4.713  -4.547  -7.602
   65    HD2  ARG   7           HD2      ARG   7  -7.179  -4.769  -7.650
   66    HD3  ARG   7           HD3      ARG   7  -7.319  -3.136  -6.963
   67    HE   ARG   7           HE       ARG   7  -5.745  -3.165  -9.405
   68   HH11  ARG   7          HH11      ARG   7  -9.037  -3.146  -8.158
   69   HH12  ARG   7          HH12      ARG   7  -9.697  -2.413  -9.580
   70   HH21  ARG   7          HH21      ARG   7  -6.636  -2.204 -11.263
   71   HH22  ARG   7          HH22      ARG   7  -8.336  -1.880 -11.344
   72    H    ILE   8           H        ILE   8  -2.245  -4.480  -6.840
   73    HA   ILE   8           HA       ILE   8  -2.740  -6.497  -8.784
   74    HB   ILE   8           HB       ILE   8  -0.357  -4.661  -8.408
   75   HG12  ILE   8          HG12      ILE   8  -2.834  -3.883  -9.215
   76   HG13  ILE   8          HG13      ILE   8  -1.346  -3.114  -9.727
   77   HG21  ILE   8          HG21      ILE   8  -0.936  -6.468 -10.749
   78   HG22  ILE   8          HG22      ILE   8   0.386  -6.633  -9.594
   79   HG23  ILE   8          HG23      ILE   8   0.336  -5.249 -10.683
   80   HD11  ILE   8          HD11      ILE   8  -1.927  -3.480 -11.816
   81   HD12  ILE   8          HD12      ILE   8  -3.339  -4.401 -11.305
   82   HD13  ILE   8          HD13      ILE   8  -1.792  -5.215 -11.541
   83    H    THR   9           H        THR   9  -0.141  -6.107  -6.376
   84    HA   THR   9           HA       THR   9   0.599  -8.901  -6.844
   85    HB   THR   9           HB       THR   9   2.733  -8.415  -5.935
   86    HG1  THR   9           HG1      THR   9   3.206  -6.459  -4.969
   87   HG21  THR   9          HG21      THR   9   2.194  -7.567  -8.235
   88   HG22  THR   9          HG22      THR   9   3.579  -6.821  -7.432
   89   HG23  THR   9          HG23      THR   9   2.030  -5.972  -7.501
   90    H    GLY  10           H        GLY  10  -0.778  -6.837  -4.566
   91    HA2  GLY  10           HA2      GLY  10  -2.032  -7.464  -2.697
   92    HA3  GLY  10           HA3      GLY  10  -1.225  -9.003  -2.747
   93    H    LYS  11           H        LYS  11   0.912  -6.302  -2.943
   94    HA   LYS  11           HA       LYS  11   1.942  -6.897  -0.311
   95    HB2  LYS  11           HB2      LYS  11   2.902  -5.057  -2.504
   96    HB3  LYS  11           HB3      LYS  11   3.768  -5.380  -1.020
   97    HG2  LYS  11           HG2      LYS  11   3.006  -7.614  -2.848
   98    HG3  LYS  11           HG3      LYS  11   4.427  -6.628  -3.182
   99    HD2  LYS  11           HD2      LYS  11   3.936  -8.152  -0.622
  100    HD3  LYS  11           HD3      LYS  11   4.960  -8.697  -1.946
  101    HE2  LYS  11           HE2      LYS  11   5.438  -6.033  -0.678
  102    HE3  LYS  11           HE3      LYS  11   6.023  -7.501   0.101
  103    HZ1  LYS  11           HZ1      LYS  11   6.692  -6.610  -2.654
  104    HZ2  LYS  11           HZ2      LYS  11   7.234  -8.039  -1.930
  105    HZ3  LYS  11           HZ3      LYS  11   7.718  -6.543  -1.310
  106    H    ARG  12           H        ARG  12   2.336  -5.180   1.269
  107    HA   ARG  12           HA       ARG  12   0.945  -2.719   0.979
  108    HB2  ARG  12           HB2      ARG  12  -0.605  -3.204   2.779
  109    HB3  ARG  12           HB3      ARG  12  -0.832  -4.287   1.440
  110    HG2  ARG  12           HG2      ARG  12   0.642  -4.964   3.966
  111    HG3  ARG  12           HG3      ARG  12  -1.047  -5.333   3.667
  112    HD2  ARG  12           HD2      ARG  12  -0.349  -7.271   2.829
  113    HD3  ARG  12           HD3      ARG  12   0.211  -6.347   1.438
  114    HE   ARG  12           HE       ARG  12   2.203  -6.285   3.403
  115   HH11  ARG  12          HH11      ARG  12   0.682  -8.584   1.246
  116   HH12  ARG  12          HH12      ARG  12   2.084  -9.593   1.133
  117   HH21  ARG  12          HH21      ARG  12   4.049  -7.618   3.250
  118   HH22  ARG  12          HH22      ARG  12   3.995  -9.046   2.271
  119    H    GLN  13           H        GLN  13   1.765  -1.164   2.345
  120    HA   GLN  13           HA       GLN  13   2.918  -1.826   4.879
  121    HB2  GLN  13           HB2      GLN  13   4.801  -0.096   3.766
  122    HB3  GLN  13           HB3      GLN  13   5.040  -1.693   4.389
  123    HG2  GLN  13           HG2      GLN  13   5.966  -1.251   2.150
  124    HG3  GLN  13           HG3      GLN  13   4.942  -2.610   2.316
  125   HE21  GLN  13          HE21      GLN  13   4.615   0.784   1.334
  126   HE22  GLN  13          HE22      GLN  13   3.504   0.448   0.071
  127    H    PHE  14           H        PHE  14   4.030   0.207   5.711
  128    HA   PHE  14           HA       PHE  14   2.040   2.382   5.658
  129    HB2  PHE  14           HB2      PHE  14   3.605   1.345   7.752
  130    HB3  PHE  14           HB3      PHE  14   4.394   2.857   7.328
  131    HD1  PHE  14           HD1      PHE  14   3.101   4.976   7.457
  132    HD2  PHE  14           HD2      PHE  14   1.534   1.278   8.817
  133    HE1  PHE  14           HE1      PHE  14   1.388   6.172   8.717
  134    HE2  PHE  14           HE2      PHE  14  -0.170   2.445  10.076
  135    HZ   PHE  14           HZ       PHE  14  -0.255   4.909  10.041
  136    H    GLU  15           H        GLU  15   5.028   1.460   4.267
  137    HA   GLU  15           HA       GLU  15   5.919   4.142   3.666
  138    HB2  GLU  15           HB2      GLU  15   7.101   1.713   4.136
  139    HB3  GLU  15           HB3      GLU  15   7.276   1.917   2.443
  140    HG2  GLU  15           HG2      GLU  15   7.907   4.343   3.749
  141    HG3  GLU  15           HG3      GLU  15   8.763   3.028   4.542
  142    H    ARG  16           H        ARG  16   6.992   4.003   1.474
  143    HA   ARG  16           HA       ARG  16   5.004   4.167  -0.538
  144    HB2  ARG  16           HB2      ARG  16   6.977   5.582  -0.517
  145    HB3  ARG  16           HB3      ARG  16   8.033   4.187  -0.512
  146    HG2  ARG  16           HG2      ARG  16   6.980   3.604  -2.732
  147    HG3  ARG  16           HG3      ARG  16   6.400   5.268  -2.765
  148    HD2  ARG  16           HD2      ARG  16   8.449   5.293  -3.933
  149    HD3  ARG  16           HD3      ARG  16   8.812   5.946  -2.336
  150    HE   ARG  16           HE       ARG  16   9.244   3.117  -2.516
  151   HH11  ARG  16          HH11      ARG  16  10.688   6.245  -3.142
  152   HH12  ARG  16          HH12      ARG  16  12.311   5.651  -3.041
  153   HH21  ARG  16          HH21      ARG  16  11.383   2.343  -2.382
  154   HH22  ARG  16          HH22      ARG  16  12.706   3.437  -2.608
  155    HA   PRO  17           HA       PRO  17   4.296   0.333  -2.472
  156    HB2  PRO  17           HB2      PRO  17   6.317   0.981  -4.518
  157    HB3  PRO  17           HB3      PRO  17   4.600   0.623  -4.706
  158    HG2  PRO  17           HG2      PRO  17   5.903   3.202  -4.457
  159    HG3  PRO  17           HG3      PRO  17   4.229   2.848  -4.889
  160    HD2  PRO  17           HD2      PRO  17   4.890   4.051  -2.610
  161    HD3  PRO  17           HD3      PRO  17   3.583   2.879  -2.716
  162    H    LYS  18           H        LYS  18   5.041  -1.696  -2.447
  163    HA   LYS  18           HA       LYS  18   7.767  -2.109  -1.514
  164    HB2  LYS  18           HB2      LYS  18   5.304  -3.546  -1.052
  165    HB3  LYS  18           HB3      LYS  18   6.404  -4.612  -1.915
  166    HG2  LYS  18           HG2      LYS  18   6.681  -3.394   0.793
  167    HG3  LYS  18           HG3      LYS  18   6.850  -5.074   0.295
  168    HD2  LYS  18           HD2      LYS  18   9.055  -4.713   0.391
  169    HD3  LYS  18           HD3      LYS  18   8.850  -3.828  -1.120
  170    HE2  LYS  18           HE2      LYS  18  10.040  -2.373   0.297
  171    HE3  LYS  18           HE3      LYS  18   8.380  -1.783   0.313
  172    HZ1  LYS  18           HZ1      LYS  18   9.519  -3.567   2.396
  173    HZ2  LYS  18           HZ2      LYS  18   8.021  -2.782   2.432
  174    HZ3  LYS  18           HZ3      LYS  18   9.448  -1.881   2.531
  175    H    GLY  19           H        GLY  19   7.186  -1.095  -4.069
  176    HA2  GLY  19           HA2      GLY  19   8.718  -1.414  -5.916
  177    HA3  GLY  19           HA3      GLY  19   8.346  -3.131  -5.825
  178    H    LEU  20           H        LEU  20   5.933  -0.437  -5.595
  179    HA   LEU  20           HA       LEU  20   4.983  -1.094  -8.259
  180    HB2  LEU  20           HB2      LEU  20   3.406  -1.335  -5.747
  181    HB3  LEU  20           HB3      LEU  20   2.732  -1.525  -7.357
  182    HG   LEU  20           HG       LEU  20   5.002  -3.302  -6.622
  183   HD11  LEU  20          HD11      LEU  20   2.715  -4.612  -5.651
  184   HD12  LEU  20          HD12      LEU  20   2.784  -3.038  -4.865
  185   HD13  LEU  20          HD13      LEU  20   4.161  -4.135  -4.766
  186   HD21  LEU  20          HD21      LEU  20   3.683  -4.999  -7.769
  187   HD22  LEU  20          HD22      LEU  20   3.894  -3.584  -8.786
  188   HD23  LEU  20          HD23      LEU  20   2.355  -3.863  -7.968
  189    H    VAL  21           H        VAL  21   2.613   0.289  -8.024
  190    HA   VAL  21           HA       VAL  21   2.922   2.961  -7.088
  191    HB   VAL  21           HB       VAL  21   2.561   3.159  -9.771
  192   HG11  VAL  21          HG11      VAL  21   3.232   5.011  -8.295
  193   HG12  VAL  21          HG12      VAL  21   4.344   4.826  -9.651
  194   HG13  VAL  21          HG13      VAL  21   4.786   4.211  -8.058
  195   HG21  VAL  21          HG21      VAL  21   3.827   1.067  -9.580
  196   HG22  VAL  21          HG22      VAL  21   5.167   2.048  -9.011
  197   HG23  VAL  21          HG23      VAL  21   4.549   2.281 -10.655
  198    H    LYS  22           H        LYS  22   1.422   0.993  -9.462
  199    HA   LYS  22           HA       LYS  22  -1.163   2.330  -9.114
  200    HB2  LYS  22           HB2      LYS  22  -0.471   0.444 -11.350
  201    HB3  LYS  22           HB3      LYS  22  -1.872   1.472 -11.231
  202    HG2  LYS  22           HG2      LYS  22   0.852   2.117 -12.171
  203    HG3  LYS  22           HG3      LYS  22  -0.712   2.723 -12.691
  204    HD2  LYS  22           HD2      LYS  22  -0.787   3.994 -10.483
  205    HD3  LYS  22           HD3      LYS  22   0.927   3.605 -10.334
  206    HE2  LYS  22           HE2      LYS  22   0.089   4.741 -12.922
  207    HE3  LYS  22           HE3      LYS  22  -0.021   5.827 -11.538
  208    HZ1  LYS  22           HZ1      LYS  22   2.302   5.395 -11.053
  209    HZ2  LYS  22           HZ2      LYS  22   2.131   5.982 -12.628
  210    HZ3  LYS  22           HZ3      LYS  22   2.411   4.336 -12.367
  211    H    GLY  23           H        GLY  23  -2.878   1.157  -8.495
  212    HA2  GLY  23           HA2      GLY  23  -3.956  -1.085  -8.096
  213    HA3  GLY  23           HA3      GLY  23  -2.342  -1.687  -7.787
  214    H    TRP  24           H        TRP  24  -1.633   0.819  -6.383
  215    HA   TRP  24           HA       TRP  24  -1.968   0.029  -3.782
  216    HB2  TRP  24           HB2      TRP  24  -1.168   2.633  -5.072
  217    HB3  TRP  24           HB3      TRP  24  -1.087   2.376  -3.349
  218    HD1  TRP  24           HD1      TRP  24   1.061   2.149  -6.279
  219    HE1  TRP  24           HE1      TRP  24   3.039   0.673  -5.845
  220    HE3  TRP  24           HE3      TRP  24  -0.471  -0.097  -1.940
  221    HZ2  TRP  24           HZ2      TRP  24   3.911  -1.244  -3.999
  222    HZ3  TRP  24           HZ3      TRP  24   0.997  -1.827  -0.978
  223    HH2  TRP  24           HH2      TRP  24   3.156  -2.338  -1.945
  224    H    GLU  25           H        GLU  25  -3.274   0.627  -2.100
  225    HA   GLU  25           HA       GLU  25  -5.240   2.740  -2.457
  226    HB2  GLU  25           HB2      GLU  25  -5.950  -0.078  -2.737
  227    HB3  GLU  25           HB3      GLU  25  -6.830   0.696  -1.426
  228    HG2  GLU  25           HG2      GLU  25  -8.017   2.025  -2.816
  229    HG3  GLU  25           HG3      GLU  25  -6.705   2.162  -3.986
  230    H    LYS  26           H        LYS  26  -4.686   3.879  -0.694
  231    HA   LYS  26           HA       LYS  26  -3.741   2.620   1.655
  232    HB2  LYS  26           HB2      LYS  26  -2.894   4.920   1.327
  233    HB3  LYS  26           HB3      LYS  26  -4.504   5.510   1.023
  234    HG2  LYS  26           HG2      LYS  26  -5.095   5.340   3.354
  235    HG3  LYS  26           HG3      LYS  26  -3.512   4.646   3.729
  236    HD2  LYS  26           HD2      LYS  26  -2.734   6.700   4.027
  237    HD3  LYS  26           HD3      LYS  26  -3.008   7.005   2.303
  238    HE2  LYS  26           HE2      LYS  26  -5.196   7.899   2.697
  239    HE3  LYS  26           HE3      LYS  26  -5.180   7.322   4.369
  240    HZ1  LYS  26           HZ1      LYS  26  -4.769   9.703   4.228
  241    HZ2  LYS  26           HZ2      LYS  26  -3.399   9.432   3.275
  242    HZ3  LYS  26           HZ3      LYS  26  -3.431   8.897   4.879
  243    H    ARG  27           H        ARG  27  -4.777   1.818   3.360
  244    HA   ARG  27           HA       ARG  27  -7.626   2.437   3.730
  245    HB2  ARG  27           HB2      ARG  27  -6.653   0.060   2.840
  246    HB3  ARG  27           HB3      ARG  27  -6.690  -0.296   4.525
  247    HG2  ARG  27           HG2      ARG  27  -8.731  -0.444   2.559
  248    HG3  ARG  27           HG3      ARG  27  -8.842  -0.831   4.252
  249    HD2  ARG  27           HD2      ARG  27 -10.592   0.721   3.630
  250    HD3  ARG  27           HD3      ARG  27  -9.486   1.489   4.752
  251    HE   ARG  27           HE       ARG  27  -8.984   2.020   1.943
  252   HH11  ARG  27          HH11      ARG  27 -10.534   3.093   4.895
  253   HH12  ARG  27          HH12      ARG  27 -10.666   4.736   4.371
  254   HH21  ARG  27          HH21      ARG  27  -9.166   4.189   1.260
  255   HH22  ARG  27          HH22      ARG  27  -9.892   5.358   2.310
  256    H    TRP  28           H        TRP  28  -8.324   1.534   5.914
  257    HA   TRP  28           HA       TRP  28  -6.683   2.783   7.941
  258    HB2  TRP  28           HB2      TRP  28  -9.243   3.011   7.704
  259    HB3  TRP  28           HB3      TRP  28  -9.320   1.418   8.432
  260    HD1  TRP  28           HD1      TRP  28 -10.120   1.796  10.787
  261    HE1  TRP  28           HE1      TRP  28  -9.466   3.299  12.754
  262    HE3  TRP  28           HE3      TRP  28  -6.624   4.676   8.446
  263    HZ2  TRP  28           HZ2      TRP  28  -7.694   5.447  13.253
  264    HZ3  TRP  28           HZ3      TRP  28  -5.495   6.440   9.736
  265    HH2  TRP  28           HH2      TRP  28  -6.020   6.818  12.089
  266    H    ASP  29           H        ASP  29  -6.043   1.806   9.894
  267    HA   ASP  29           HA       ASP  29  -5.826  -1.135   9.799
  268    HB2  ASP  29           HB2      ASP  29  -3.671   0.269   9.485
  269    HB3  ASP  29           HB3      ASP  29  -3.801   0.608  11.191
  Start of MODEL   13
    1    H1   ARG   1           H1       ARG   1  -3.363   3.812  13.233
    2    H2   ARG   1           H2       ARG   1  -4.360   2.731  12.349
    3    H3   ARG   1           H3       ARG   1  -4.551   4.426  12.159
    4    HA   ARG   1           HA       ARG   1  -2.377   4.606  11.211
    5    HB2  ARG   1           HB2      ARG   1  -2.136   2.004  12.399
    6    HB3  ARG   1           HB3      ARG   1  -1.965   1.787  10.669
    7    HG2  ARG   1           HG2      ARG   1  -0.321   3.830  12.141
    8    HG3  ARG   1           HG3      ARG   1   0.139   2.134  12.082
    9    HD2  ARG   1           HD2      ARG   1  -0.435   2.692   9.456
   10    HD3  ARG   1           HD3      ARG   1   0.312   4.186  10.020
   11    HE   ARG   1           HE       ARG   1   1.578   1.612   9.684
   12   HH11  ARG   1          HH11      ARG   1   1.798   4.768  11.188
   13   HH12  ARG   1          HH12      ARG   1   3.514   4.682  11.396
   14   HH21  ARG   1          HH21      ARG   1   3.836   1.507   9.962
   15   HH22  ARG   1          HH22      ARG   1   4.672   2.833  10.700
   16    H    TRP   2           H        TRP   2  -1.832   3.844   9.004
   17    HA   TRP   2           HA       TRP   2  -3.892   2.830   7.353
   18    HB2  TRP   2           HB2      TRP   2  -5.006   4.634   7.562
   19    HB3  TRP   2           HB3      TRP   2  -3.845   5.331   8.447
   20    HD1  TRP   2           HD1      TRP   2  -2.441   7.109   7.528
   21    HE1  TRP   2           HE1      TRP   2  -2.841   8.736   5.541
   22    HE3  TRP   2           HE3      TRP   2  -5.910   4.422   5.205
   23    HZ2  TRP   2           HZ2      TRP   2  -4.572   8.791   3.230
   24    HZ3  TRP   2           HZ3      TRP   2  -6.995   5.268   3.219
   25    HH2  TRP   2           HH2      TRP   2  -6.329   7.401   2.192
   26    H    PHE   3           H        PHE   3  -3.028   2.041   5.779
   27    HA   PHE   3           HA       PHE   3  -0.450   2.999   4.685
   28    HB2  PHE   3           HB2      PHE   3   0.217   0.563   4.593
   29    HB3  PHE   3           HB3      PHE   3   0.097   1.280   6.178
   30    HD1  PHE   3           HD2      PHE   3  -1.930   0.601   7.652
   31    HD2  PHE   3           HD1      PHE   3  -1.148  -1.057   3.813
   32    HE1  PHE   3           HE2      PHE   3  -3.464  -1.232   8.126
   33    HE2  PHE   3           HE1      PHE   3  -2.732  -2.883   4.269
   34    HZ   PHE   3           HZ       PHE   3  -3.921  -2.952   6.421
   35    H    TYR   4           H        TYR   4   0.194   1.441   2.705
   36    HA   TYR   4           HA       TYR   4  -1.980   1.729   0.821
   37    HB2  TYR   4           HB2      TYR   4   0.792   1.131  -0.032
   38    HB3  TYR   4           HB3      TYR   4  -0.353   2.288  -0.615
   39    HD1  TYR   4           HD2      TYR   4  -0.635   3.500   2.382
   40    HD2  TYR   4           HD1      TYR   4   2.600   2.761  -0.334
   41    HE1  TYR   4           HE2      TYR   4   0.569   5.259   3.381
   42    HE2  TYR   4           HE1      TYR   4   3.858   4.556   0.756
   43    HH   TYR   4           HH       TYR   4   2.745   6.898   2.363
   44    H    PHE   5           H        PHE   5  -2.751   0.115  -0.411
   45    HA   PHE   5           HA       PHE   5  -1.558  -2.564  -0.101
   46    HB2  PHE   5           HB2      PHE   5  -3.876  -2.336   0.843
   47    HB3  PHE   5           HB3      PHE   5  -4.454  -1.975  -0.761
   48    HD1  PHE   5           HD1      PHE   5  -2.192  -4.569   0.708
   49    HD2  PHE   5           HD2      PHE   5  -5.502  -3.712  -1.810
   50    HE1  PHE   5           HE1      PHE   5  -2.364  -6.940   0.136
   51    HE2  PHE   5           HE2      PHE   5  -5.686  -6.084  -2.381
   52    HZ   PHE   5           HZ       PHE   5  -4.107  -7.688  -1.414
   53    H    ASN   6           H        ASN   6  -0.574  -3.224  -1.949
   54    HA   ASN   6           HA       ASN   6  -1.531  -2.029  -4.456
   55    HB2  ASN   6           HB2      ASN   6   0.912  -1.753  -3.799
   56    HB3  ASN   6           HB3      ASN   6   1.080  -3.473  -3.917
   57   HD21  ASN   6          HD21      ASN   6   0.491  -0.493  -5.846
   58   HD22  ASN   6          HD22      ASN   6   0.855  -1.214  -7.358
   59    H    ARG   7           H        ARG   7  -3.256  -3.317  -4.773
   60    HA   ARG   7           HA       ARG   7  -3.664  -5.968  -4.499
   61    HB2  ARG   7           HB2      ARG   7  -5.437  -5.776  -6.051
   62    HB3  ARG   7           HB3      ARG   7  -5.259  -4.227  -5.243
   63    HG2  ARG   7           HG2      ARG   7  -4.360  -3.201  -7.066
   64    HG3  ARG   7           HG3      ARG   7  -3.904  -4.712  -7.832
   65    HD2  ARG   7           HD2      ARG   7  -6.300  -5.247  -8.190
   66    HD3  ARG   7           HD3      ARG   7  -6.732  -3.680  -7.472
   67    HE   ARG   7           HE       ARG   7  -4.883  -3.393  -9.693
   68   HH11  ARG   7          HH11      ARG   7  -8.275  -3.847  -8.872
   69   HH12  ARG   7          HH12      ARG   7  -8.848  -3.133 -10.342
   70   HH21  ARG   7          HH21      ARG   7  -5.659  -2.460 -11.615
   71   HH22  ARG   7          HH22      ARG   7  -7.363  -2.347 -11.900
   72    H    ILE   8           H        ILE   8  -1.771  -4.485  -7.006
   73    HA   ILE   8           HA       ILE   8  -1.740  -6.676  -8.817
   74    HB   ILE   8           HB       ILE   8   0.233  -4.405  -8.430
   75   HG12  ILE   8          HG12      ILE   8  -2.273  -4.158  -9.453
   76   HG13  ILE   8          HG13      ILE   8  -0.916  -3.160  -9.930
   77   HG21  ILE   8          HG21      ILE   8   1.435  -6.243  -9.404
   78   HG22  ILE   8          HG22      ILE   8   1.181  -4.992 -10.620
   79   HG23  ILE   8          HG23      ILE   8   0.191  -6.451 -10.638
   80   HD11  ILE   8          HD11      ILE   8  -1.263  -3.764 -12.016
   81   HD12  ILE   8          HD12      ILE   8  -2.516  -4.900 -11.523
   82   HD13  ILE   8          HD13      ILE   8  -0.833  -5.421 -11.598
   83    H    THR   9           H        THR   9   0.476  -5.703  -6.223
   84    HA   THR   9           HA       THR   9   1.905  -8.239  -6.514
   85    HB   THR   9           HB       THR   9   3.666  -7.242  -5.234
   86    HG1  THR   9           HG1      THR   9   3.387  -5.035  -4.509
   87   HG21  THR   9          HG21      THR   9   3.359  -6.575  -7.643
   88   HG22  THR   9          HG22      THR   9   4.358  -5.508  -6.651
   89   HG23  THR   9          HG23      THR   9   2.689  -5.064  -7.028
   90    H    GLY  10           H        GLY  10  -0.354  -6.712  -4.590
   91    HA2  GLY  10           HA2      GLY  10  -1.627  -7.445  -2.804
   92    HA3  GLY  10           HA3      GLY  10  -0.727  -8.933  -2.879
   93    H    LYS  11           H        LYS  11   1.303  -6.188  -2.630
   94    HA   LYS  11           HA       LYS  11   1.966  -6.873   0.099
   95    HB2  LYS  11           HB2      LYS  11   3.239  -4.917  -1.822
   96    HB3  LYS  11           HB3      LYS  11   3.888  -5.412  -0.278
   97    HG2  LYS  11           HG2      LYS  11   3.325  -7.475  -2.348
   98    HG3  LYS  11           HG3      LYS  11   4.774  -6.482  -2.478
   99    HD2  LYS  11           HD2      LYS  11   4.056  -8.050  -0.007
  100    HD3  LYS  11           HD3      LYS  11   5.070  -8.686  -1.300
  101    HE2  LYS  11           HE2      LYS  11   5.766  -6.049  -0.102
  102    HE3  LYS  11           HE3      LYS  11   6.115  -7.512   0.816
  103    HZ1  LYS  11           HZ1      LYS  11   8.005  -6.863  -0.522
  104    HZ2  LYS  11           HZ2      LYS  11   7.073  -6.915  -1.932
  105    HZ3  LYS  11           HZ3      LYS  11   7.389  -8.339  -1.075
  106    H    ARG  12           H        ARG  12   2.146  -5.195   1.738
  107    HA   ARG  12           HA       ARG  12   0.757  -2.746   1.278
  108    HB2  ARG  12           HB2      ARG  12  -0.837  -3.235   3.062
  109    HB3  ARG  12           HB3      ARG  12  -1.030  -4.298   1.704
  110    HG2  ARG  12           HG2      ARG  12   0.432  -5.028   4.219
  111    HG3  ARG  12           HG3      ARG  12  -1.283  -5.330   3.969
  112    HD2  ARG  12           HD2      ARG  12  -0.700  -7.277   3.065
  113    HD3  ARG  12           HD3      ARG  12  -0.085  -6.359   1.691
  114    HE   ARG  12           HE       ARG  12   1.913  -6.398   3.621
  115   HH11  ARG  12          HH11      ARG  12   0.221  -8.702   1.600
  116   HH12  ARG  12          HH12      ARG  12   1.560  -9.796   1.514
  117   HH21  ARG  12          HH21      ARG  12   3.674  -7.841   3.502
  118   HH22  ARG  12          HH22      ARG  12   3.521  -9.308   2.594
  119    H    GLN  13           H        GLN  13   1.563  -1.140   2.548
  120    HA   GLN  13           HA       GLN  13   2.414  -1.524   5.195
  121    HB2  GLN  13           HB2      GLN  13   4.716  -0.505   4.471
  122    HB3  GLN  13           HB3      GLN  13   4.484  -2.204   4.741
  123    HG2  GLN  13           HG2      GLN  13   5.763  -1.186   2.659
  124    HG3  GLN  13           HG3      GLN  13   4.903  -2.669   2.628
  125   HE21  GLN  13          HE21      GLN  13   4.245   0.752   1.966
  126   HE22  GLN  13          HE22      GLN  13   3.254   0.442   0.601
  127    H    PHE  14           H        PHE  14   3.641   0.369   5.998
  128    HA   PHE  14           HA       PHE  14   2.245   2.825   5.289
  129    HB2  PHE  14           HB2      PHE  14   2.918   2.004   7.726
  130    HB3  PHE  14           HB3      PHE  14   4.508   2.626   7.290
  131    HD1  PHE  14           HD1      PHE  14   0.974   3.700   7.062
  132    HD2  PHE  14           HD2      PHE  14   4.970   4.755   7.986
  133    HE1  PHE  14           HE1      PHE  14   0.223   5.955   7.684
  134    HE2  PHE  14           HE2      PHE  14   4.242   7.013   8.616
  135    HZ   PHE  14           HZ       PHE  14   1.864   7.608   8.464
  136    H    GLU  15           H        GLU  15   5.251   1.181   4.729
  137    HA   GLU  15           HA       GLU  15   6.864   3.399   4.031
  138    HB2  GLU  15           HB2      GLU  15   7.222   0.734   4.469
  139    HB3  GLU  15           HB3      GLU  15   7.446   0.858   2.774
  140    HG2  GLU  15           HG2      GLU  15   8.848   2.956   4.065
  141    HG3  GLU  15           HG3      GLU  15   9.243   1.431   4.849
  142    H    ARG  16           H        ARG  16   7.963   3.024   1.914
  143    HA   ARG  16           HA       ARG  16   6.347   4.010  -0.141
  144    HB2  ARG  16           HB2      ARG  16   8.698   4.546   0.040
  145    HB3  ARG  16           HB3      ARG  16   9.143   2.854  -0.062
  146    HG2  ARG  16           HG2      ARG  16   8.125   2.836  -2.326
  147    HG3  ARG  16           HG3      ARG  16   8.050   4.594  -2.240
  148    HD2  ARG  16           HD2      ARG  16  10.374   4.804  -2.212
  149    HD3  ARG  16           HD3      ARG  16  10.614   3.128  -1.720
  150    HE   ARG  16           HE       ARG  16  10.333   4.126  -4.392
  151   HH11  ARG  16          HH11      ARG  16   9.875   1.309  -2.359
  152   HH12  ARG  16          HH12      ARG  16   9.982   0.191  -3.676
  153   HH21  ARG  16          HH21      ARG  16  10.473   2.646  -6.121
  154   HH22  ARG  16          HH22      ARG  16  10.322   0.949  -5.810
  155    HA   PRO  17           HA       PRO  17   4.336   0.758  -2.164
  156    HB2  PRO  17           HB2      PRO  17   5.731   0.966  -4.648
  157    HB3  PRO  17           HB3      PRO  17   4.132   1.575  -4.230
  158    HG2  PRO  17           HG2      PRO  17   6.747   2.939  -4.154
  159    HG3  PRO  17           HG3      PRO  17   5.155   3.611  -4.516
  160    HD2  PRO  17           HD2      PRO  17   6.275   4.129  -2.228
  161    HD3  PRO  17           HD3      PRO  17   4.585   3.620  -2.283
  162    H    LYS  18           H        LYS  18   4.634  -1.220  -1.716
  163    HA   LYS  18           HA       LYS  18   7.056  -2.642  -2.489
  164    HB2  LYS  18           HB2      LYS  18   4.883  -3.186  -0.440
  165    HB3  LYS  18           HB3      LYS  18   5.708  -4.517  -1.197
  166    HG2  LYS  18           HG2      LYS  18   7.032  -2.328   0.370
  167    HG3  LYS  18           HG3      LYS  18   6.713  -3.966   0.939
  168    HD2  LYS  18           HD2      LYS  18   8.126  -4.789  -0.979
  169    HD3  LYS  18           HD3      LYS  18   8.588  -3.109  -1.258
  170    HE2  LYS  18           HE2      LYS  18   9.913  -3.028   0.575
  171    HE3  LYS  18           HE3      LYS  18   8.864  -4.090   1.512
  172    HZ1  LYS  18           HZ1      LYS  18  10.583  -5.068  -0.697
  173    HZ2  LYS  18           HZ2      LYS  18   9.781  -5.985   0.476
  174    HZ3  LYS  18           HZ3      LYS  18  11.097  -5.018   0.915
  175    H    GLY  19           H        GLY  19   5.297  -1.533  -4.290
  176    HA2  GLY  19           HA2      GLY  19   4.497  -3.743  -5.915
  177    HA3  GLY  19           HA3      GLY  19   3.140  -2.824  -5.282
  178    H    LEU  20           H        LEU  20   4.659  -0.210  -5.378
  179    HA   LEU  20           HA       LEU  20   5.329   1.414  -6.800
  180    HB2  LEU  20           HB2      LEU  20   5.777  -0.978  -8.264
  181    HB3  LEU  20           HB3      LEU  20   5.395   0.322  -9.357
  182    HG   LEU  20           HG       LEU  20   7.613   0.555  -7.303
  183   HD11  LEU  20          HD11      LEU  20   8.044  -1.470  -8.550
  184   HD12  LEU  20          HD12      LEU  20   9.170  -0.197  -9.021
  185   HD13  LEU  20          HD13      LEU  20   7.813  -0.607 -10.071
  186   HD21  LEU  20          HD21      LEU  20   6.592   2.166  -9.521
  187   HD22  LEU  20          HD22      LEU  20   8.320   1.848  -9.639
  188   HD23  LEU  20          HD23      LEU  20   7.669   2.620  -8.197
  189    H    VAL  21           H        VAL  21   3.638   2.513  -6.487
  190    HA   VAL  21           HA       VAL  21   1.772   3.783  -6.866
  191    HB   VAL  21           HB       VAL  21   2.780   3.444  -9.495
  192   HG11  VAL  21          HG11      VAL  21   2.262   5.928  -9.631
  193   HG12  VAL  21          HG12      VAL  21   1.340   5.699  -8.145
  194   HG13  VAL  21          HG13      VAL  21   0.853   4.867  -9.622
  195   HG21  VAL  21          HG21      VAL  21   3.739   4.438  -7.002
  196   HG22  VAL  21          HG22      VAL  21   4.199   5.384  -8.446
  197   HG23  VAL  21          HG23      VAL  21   4.587   3.652  -8.330
  198    H    LYS  22           H        LYS  22   1.742   1.462  -9.425
  199    HA   LYS  22           HA       LYS  22  -1.137   1.772  -9.712
  200    HB2  LYS  22           HB2      LYS  22   0.382  -0.278 -11.230
  201    HB3  LYS  22           HB3      LYS  22  -1.101   0.517 -11.669
  202    HG2  LYS  22           HG2      LYS  22   0.318   1.551 -13.107
  203    HG3  LYS  22           HG3      LYS  22   0.413   2.664 -11.747
  204    HD2  LYS  22           HD2      LYS  22   2.623   2.135 -12.712
  205    HD3  LYS  22           HD3      LYS  22   2.496   1.642 -11.026
  206    HE2  LYS  22           HE2      LYS  22   2.986  -0.458 -11.566
  207    HE3  LYS  22           HE3      LYS  22   1.642  -0.511 -12.705
  208    HZ1  LYS  22           HZ1      LYS  22   4.370   0.510 -13.296
  209    HZ2  LYS  22           HZ2      LYS  22   3.081   0.457 -14.390
  210    HZ3  LYS  22           HZ3      LYS  22   3.742  -0.981 -13.795
  211    H    GLY  23           H        GLY  23  -2.533   0.585  -8.764
  212    HA2  GLY  23           HA2      GLY  23  -3.350  -1.706  -8.165
  213    HA3  GLY  23           HA3      GLY  23  -1.708  -2.058  -7.701
  214    H    TRP  24           H        TRP  24  -1.651   0.803  -6.495
  215    HA   TRP  24           HA       TRP  24  -2.055  -0.017  -3.881
  216    HB2  TRP  24           HB2      TRP  24  -1.483   2.667  -5.093
  217    HB3  TRP  24           HB3      TRP  24  -1.511   2.374  -3.372
  218    HD1  TRP  24           HD1      TRP  24   0.816   2.505  -6.086
  219    HE1  TRP  24           HE1      TRP  24   2.963   1.246  -5.601
  220    HE3  TRP  24           HE3      TRP  24  -0.723  -0.055  -1.986
  221    HZ2  TRP  24           HZ2      TRP  24   3.880  -0.665  -3.725
  222    HZ3  TRP  24           HZ3      TRP  24   0.829  -1.668  -0.965
  223    HH2  TRP  24           HH2      TRP  24   3.085  -1.930  -1.779
  224    H    GLU  25           H        GLU  25  -3.367   0.513  -2.287
  225    HA   GLU  25           HA       GLU  25  -5.540   2.377  -2.620
  226    HB2  GLU  25           HB2      GLU  25  -6.011  -0.583  -2.494
  227    HB3  GLU  25           HB3      GLU  25  -7.120   0.514  -1.679
  228    HG2  GLU  25           HG2      GLU  25  -8.186   0.724  -3.603
  229    HG3  GLU  25           HG3      GLU  25  -6.784   1.629  -4.181
  230    H    LYS  26           H        LYS  26  -4.471   3.436  -0.996
  231    HA   LYS  26           HA       LYS  26  -3.584   2.171   1.343
  232    HB2  LYS  26           HB2      LYS  26  -2.629   4.440   0.686
  233    HB3  LYS  26           HB3      LYS  26  -4.220   5.136   0.833
  234    HG2  LYS  26           HG2      LYS  26  -4.156   5.107   3.181
  235    HG3  LYS  26           HG3      LYS  26  -2.748   4.056   3.232
  236    HD2  LYS  26           HD2      LYS  26  -1.671   5.994   1.805
  237    HD3  LYS  26           HD3      LYS  26  -2.931   6.947   2.606
  238    HE2  LYS  26           HE2      LYS  26  -2.140   6.188   4.809
  239    HE3  LYS  26           HE3      LYS  26  -0.904   5.211   4.020
  240    HZ1  LYS  26           HZ1      LYS  26   0.106   7.214   4.742
  241    HZ2  LYS  26           HZ2      LYS  26  -1.101   8.169   4.042
  242    HZ3  LYS  26           HZ3      LYS  26  -0.021   7.317   3.058
  243    H    ARG  27           H        ARG  27  -4.574   1.545   3.150
  244    HA   ARG  27           HA       ARG  27  -7.431   2.260   3.466
  245    HB2  ARG  27           HB2      ARG  27  -6.351  -0.300   3.204
  246    HB3  ARG  27           HB3      ARG  27  -6.567  -0.211   4.910
  247    HG2  ARG  27           HG2      ARG  27  -8.890  -0.368   4.680
  248    HG3  ARG  27           HG3      ARG  27  -8.902   0.407   3.096
  249    HD2  ARG  27           HD2      ARG  27  -9.423  -2.035   3.106
  250    HD3  ARG  27           HD3      ARG  27  -8.121  -1.540   2.028
  251    HE   ARG  27           HE       ARG  27  -7.205  -2.420   4.611
  252   HH11  ARG  27          HH11      ARG  27  -8.116  -3.469   1.396
  253   HH12  ARG  27          HH12      ARG  27  -7.185  -4.925   1.476
  254   HH21  ARG  27          HH21      ARG  27  -5.981  -4.339   4.708
  255   HH22  ARG  27          HH22      ARG  27  -5.974  -5.420   3.355
  256    H    TRP  28           H        TRP  28  -8.267   2.118   5.560
  257    HA   TRP  28           HA       TRP  28  -6.474   3.239   7.603
  258    HB2  TRP  28           HB2      TRP  28  -8.514   4.558   6.879
  259    HB3  TRP  28           HB3      TRP  28  -9.498   3.316   7.613
  260    HD1  TRP  28           HD1      TRP  28 -10.105   3.729   9.981
  261    HE1  TRP  28           HE1      TRP  28  -9.247   5.158  11.931
  262    HE3  TRP  28           HE3      TRP  28  -6.094   5.781   7.670
  263    HZ2  TRP  28           HZ2      TRP  28  -7.087   6.940  12.421
  264    HZ3  TRP  28           HZ3      TRP  28  -4.622   7.307   8.947
  265    HH2  TRP  28           HH2      TRP  28  -5.140   7.899  11.264
  266    H    ASP  29           H        ASP  29  -5.811   1.893   9.101
  267    HA   ASP  29           HA       ASP  29  -7.648   0.023  10.339
  268    HB2  ASP  29           HB2      ASP  29  -6.070  -0.829   8.240
  269    HB3  ASP  29           HB3      ASP  29  -5.131  -1.304   9.655
  Start of MODEL   14
    1    H1   ARG   1           H1       ARG   1  -3.667   3.469  11.612
    2    H2   ARG   1           H2       ARG   1  -2.410   3.630  12.769
    3    H3   ARG   1           H3       ARG   1  -2.312   2.421  11.554
    4    HA   ARG   1           HA       ARG   1  -2.391   5.321  11.032
    5    HB2  ARG   1           HB2      ARG   1  -0.311   4.489  12.340
    6    HB3  ARG   1           HB3      ARG   1  -0.024   3.380  11.012
    7    HG2  ARG   1           HG2      ARG   1   0.399   5.209   9.490
    8    HG3  ARG   1           HG3      ARG   1   0.021   6.392  10.748
    9    HD2  ARG   1           HD2      ARG   1   1.966   4.599  11.777
   10    HD3  ARG   1           HD3      ARG   1   2.498   5.132  10.183
   11    HE   ARG   1           HE       ARG   1   2.723   7.286  10.989
   12   HH11  ARG   1          HH11      ARG   1   1.225   5.264  13.429
   13   HH12  ARG   1          HH12      ARG   1   1.412   6.437  14.687
   14   HH21  ARG   1          HH21      ARG   1   2.963   8.824  12.654
   15   HH22  ARG   1          HH22      ARG   1   2.398   8.456  14.249
   16    H    TRP   2           H        TRP   2  -2.254   5.866   8.907
   17    HA   TRP   2           HA       TRP   2  -3.434   4.298   6.979
   18    HB2  TRP   2           HB2      TRP   2  -1.557   6.636   6.711
   19    HB3  TRP   2           HB3      TRP   2  -2.380   5.946   5.356
   20    HD1  TRP   2           HD1      TRP   2  -2.824   8.317   8.121
   21    HE1  TRP   2           HE1      TRP   2  -5.202   9.328   8.062
   22    HE3  TRP   2           HE3      TRP   2  -4.837   5.220   4.692
   23    HZ2  TRP   2           HZ2      TRP   2  -7.636   8.834   6.680
   24    HZ3  TRP   2           HZ3      TRP   2  -7.193   5.527   4.015
   25    HH2  TRP   2           HH2      TRP   2  -8.562   7.299   4.995
   26    H    PHE   3           H        PHE   3  -2.623   3.319   5.036
   27    HA   PHE   3           HA       PHE   3   0.153   2.795   4.718
   28    HB2  PHE   3           HB2      PHE   3   0.104   0.357   5.032
   29    HB3  PHE   3           HB3      PHE   3  -0.201   1.222   6.484
   30    HD1  PHE   3           HD2      PHE   3  -2.926   1.590   6.856
   31    HD2  PHE   3           HD1      PHE   3  -1.041  -1.509   4.634
   32    HE1  PHE   3           HE2      PHE   3  -4.933   0.183   7.100
   33    HE2  PHE   3           HE1      PHE   3  -3.033  -2.921   4.879
   34    HZ   PHE   3           HZ       PHE   3  -4.989  -2.070   6.119
   35    H    TYR   4           H        TYR   4   0.057   0.528   3.082
   36    HA   TYR   4           HA       TYR   4  -1.611   1.458   0.880
   37    HB2  TYR   4           HB2      TYR   4   1.158   0.305   0.663
   38    HB3  TYR   4           HB3      TYR   4   0.285   1.325  -0.406
   39    HD1  TYR   4           HD2      TYR   4   2.142   1.295   2.754
   40    HD2  TYR   4           HD1      TYR   4   0.247   3.677  -0.205
   41    HE1  TYR   4           HE2      TYR   4   3.228   3.251   3.661
   42    HE2  TYR   4           HE1      TYR   4   1.267   5.689   0.756
   43    HH   TYR   4           HH       TYR   4   3.751   5.878   2.399
   44    H    PHE   5           H        PHE   5  -2.519  -0.077  -0.472
   45    HA   PHE   5           HA       PHE   5  -1.971  -2.892   0.169
   46    HB2  PHE   5           HB2      PHE   5  -4.195  -2.166   0.939
   47    HB3  PHE   5           HB3      PHE   5  -4.624  -1.761  -0.700
   48    HD1  PHE   5           HD2      PHE   5  -3.027  -4.681   1.004
   49    HD2  PHE   5           HD1      PHE   5  -5.923  -3.283  -1.779
   50    HE1  PHE   5           HE2      PHE   5  -3.681  -6.992   0.519
   51    HE2  PHE   5           HE1      PHE   5  -6.552  -5.587  -2.298
   52    HZ   PHE   5           HZ       PHE   5  -5.417  -7.430  -1.167
   53    H    ASN   6           H        ASN   6  -1.249  -4.090  -1.508
   54    HA   ASN   6           HA       ASN   6  -1.644  -2.985  -4.208
   55    HB2  ASN   6           HB2      ASN   6   0.712  -3.523  -3.502
   56    HB3  ASN   6           HB3      ASN   6   0.246  -5.170  -3.231
   57   HD21  ASN   6          HD21      ASN   6  -0.027  -2.703  -5.830
   58   HD22  ASN   6          HD22      ASN   6   0.398  -3.766  -7.115
   59    H    ARG   7           H        ARG   7  -3.233  -3.821  -5.367
   60    HA   ARG   7           HA       ARG   7  -4.715  -6.075  -4.463
   61    HB2  ARG   7           HB2      ARG   7  -6.306  -5.482  -6.032
   62    HB3  ARG   7           HB3      ARG   7  -5.515  -3.960  -5.651
   63    HG2  ARG   7           HG2      ARG   7  -4.357  -3.901  -7.628
   64    HG3  ARG   7           HG3      ARG   7  -4.617  -5.604  -7.955
   65    HD2  ARG   7           HD2      ARG   7  -7.066  -5.134  -8.210
   66    HD3  ARG   7           HD3      ARG   7  -6.697  -3.403  -8.047
   67    HE   ARG   7           HE       ARG   7  -5.124  -4.653 -10.137
   68   HH11  ARG   7          HH11      ARG   7  -8.291  -3.305  -9.409
   69   HH12  ARG   7          HH12      ARG   7  -8.634  -2.911 -11.059
   70   HH21  ARG   7          HH21      ARG   7  -5.597  -4.127 -12.299
   71   HH22  ARG   7          HH22      ARG   7  -7.106  -3.379 -12.700
   72    H    ILE   8           H        ILE   8  -2.215  -5.642  -6.831
   73    HA   ILE   8           HA       ILE   8  -2.817  -8.034  -8.312
   74    HB   ILE   8           HB       ILE   8  -0.319  -6.316  -8.264
   75   HG12  ILE   8          HG12      ILE   8  -2.713  -5.560  -9.310
   76   HG13  ILE   8          HG13      ILE   8  -1.160  -5.032  -9.927
   77   HG21  ILE   8          HG21      ILE   8   0.231  -8.590  -8.938
   78   HG22  ILE   8          HG22      ILE   8   0.405  -7.459 -10.279
   79   HG23  ILE   8          HG23      ILE   8  -0.999  -8.521 -10.201
   80   HD11  ILE   8          HD11      ILE   8  -1.742  -5.807 -11.903
   81   HD12  ILE   8          HD12      ILE   8  -3.219  -6.504 -11.245
   82   HD13  ILE   8          HD13      ILE   8  -1.727  -7.443 -11.250
   83    H    THR   9           H        THR   9  -0.289  -7.174  -5.940
   84    HA   THR   9           HA       THR   9   0.385 -10.005  -5.716
   85    HB   THR   9           HB       THR   9   2.432  -9.364  -4.728
   86    HG1  THR   9           HG1      THR   9   2.857  -7.181  -4.192
   87   HG21  THR   9          HG21      THR   9   2.053  -8.875  -7.206
   88   HG22  THR   9          HG22      THR   9   3.472  -8.180  -6.417
   89   HG23  THR   9          HG23      THR   9   2.045  -7.181  -6.716
   90    H    GLY  10           H        GLY  10  -1.181  -7.532  -4.062
   91    HA2  GLY  10           HA2      GLY  10  -2.408  -7.499  -2.084
   92    HA3  GLY  10           HA3      GLY  10  -2.169  -9.223  -2.064
   93    H    LYS  11           H        LYS  11   0.654  -7.040  -2.065
   94    HA   LYS  11           HA       LYS  11   1.159  -8.037   0.599
   95    HB2  LYS  11           HB2      LYS  11   3.191  -7.055  -1.383
   96    HB3  LYS  11           HB3      LYS  11   3.478  -7.958   0.077
   97    HG2  LYS  11           HG2      LYS  11   1.799  -9.153  -2.063
   98    HG3  LYS  11           HG3      LYS  11   3.554  -9.145  -2.229
   99    HD2  LYS  11           HD2      LYS  11   2.364 -10.110   0.325
  100    HD3  LYS  11           HD3      LYS  11   2.291 -11.159  -1.090
  101    HE2  LYS  11           HE2      LYS  11   4.285 -11.816  -0.147
  102    HE3  LYS  11           HE3      LYS  11   4.831 -10.590  -1.290
  103    HZ1  LYS  11           HZ1      LYS  11   5.702 -10.536   1.115
  104    HZ2  LYS  11           HZ2      LYS  11   4.205  -9.848   1.495
  105    HZ3  LYS  11           HZ3      LYS  11   5.233  -9.081   0.392
  106    H    ARG  12           H        ARG  12  -0.363  -5.867   0.667
  107    HA   ARG  12           HA       ARG  12   0.392  -3.354   0.878
  108    HB2  ARG  12           HB2      ARG  12  -0.995  -3.115   2.869
  109    HB3  ARG  12           HB3      ARG  12  -1.741  -4.269   1.805
  110    HG2  ARG  12           HG2      ARG  12  -1.874  -5.664   3.515
  111    HG3  ARG  12           HG3      ARG  12  -0.122  -5.771   3.533
  112    HD2  ARG  12           HD2      ARG  12  -1.480  -3.479   4.888
  113    HD3  ARG  12           HD3      ARG  12  -1.450  -5.053   5.663
  114    HE   ARG  12           HE       ARG  12   1.011  -3.483   5.017
  115   HH11  ARG  12          HH11      ARG  12  -0.628  -5.990   6.880
  116   HH12  ARG  12          HH12      ARG  12   0.723  -6.237   7.931
  117   HH21  ARG  12          HH21      ARG  12   2.753  -3.836   6.405
  118   HH22  ARG  12          HH22      ARG  12   2.636  -5.020   7.664
  119    H    GLN  13           H        GLN  13   1.834  -2.064   2.052
  120    HA   GLN  13           HA       GLN  13   3.371  -3.328   4.208
  121    HB2  GLN  13           HB2      GLN  13   4.860  -1.434   2.438
  122    HB3  GLN  13           HB3      GLN  13   5.442  -2.776   3.398
  123    HG2  GLN  13           HG2      GLN  13   4.506  -4.280   1.874
  124    HG3  GLN  13           HG3      GLN  13   4.058  -2.982   0.796
  125   HE21  GLN  13          HE21      GLN  13   6.093  -1.540   0.069
  126   HE22  GLN  13          HE22      GLN  13   7.546  -2.422  -0.189
  127    H    PHE  14           H        PHE  14   4.659  -1.723   5.376
  128    HA   PHE  14           HA       PHE  14   3.037   0.663   5.868
  129    HB2  PHE  14           HB2      PHE  14   4.408  -0.951   7.650
  130    HB3  PHE  14           HB3      PHE  14   5.536   0.375   7.414
  131    HD1  PHE  14           HD1      PHE  14   1.818   0.170   7.709
  132    HD2  PHE  14           HD2      PHE  14   5.438   1.834   9.184
  133    HE1  PHE  14           HE1      PHE  14   0.542   1.499   9.324
  134    HE2  PHE  14           HE2      PHE  14   4.169   3.167  10.802
  135    HZ   PHE  14           HZ       PHE  14   1.724   2.991  10.868
  136    H    GLU  15           H        GLU  15   5.551  -0.343   3.928
  137    HA   GLU  15           HA       GLU  15   7.149   2.042   3.861
  138    HB2  GLU  15           HB2      GLU  15   7.555  -0.557   3.284
  139    HB3  GLU  15           HB3      GLU  15   7.200   0.044   1.696
  140    HG2  GLU  15           HG2      GLU  15   8.972   1.821   2.932
  141    HG3  GLU  15           HG3      GLU  15   9.557   0.194   3.238
  142    H    ARG  16           H        ARG  16   7.514   2.295   1.339
  143    HA   ARG  16           HA       ARG  16   5.172   3.595   0.294
  144    HB2  ARG  16           HB2      ARG  16   7.307   4.789   0.733
  145    HB3  ARG  16           HB3      ARG  16   8.078   3.795  -0.486
  146    HG2  ARG  16           HG2      ARG  16   6.463   4.630  -2.120
  147    HG3  ARG  16           HG3      ARG  16   5.869   5.777  -0.922
  148    HD2  ARG  16           HD2      ARG  16   8.723   5.599  -1.895
  149    HD3  ARG  16           HD3      ARG  16   7.533   6.753  -2.491
  150    HE   ARG  16           HE       ARG  16   7.633   7.894  -0.448
  151   HH11  ARG  16          HH11      ARG  16   9.786   5.124  -0.463
  152   HH12  ARG  16          HH12      ARG  16  10.685   5.667   0.912
  153   HH21  ARG  16          HH21      ARG  16   8.826   8.595   1.361
  154   HH22  ARG  16          HH22      ARG  16  10.142   7.633   1.947
  155    HA   PRO  17           HA       PRO  17   5.718   0.030  -2.730
  156    HB2  PRO  17           HB2      PRO  17   3.438  -1.321  -2.090
  157    HB3  PRO  17           HB3      PRO  17   5.027  -1.714  -1.474
  158    HG2  PRO  17           HG2      PRO  17   2.780  -0.624  -0.067
  159    HG3  PRO  17           HG3      PRO  17   4.359  -1.084   0.584
  160    HD2  PRO  17           HD2      PRO  17   3.350   1.577  -0.097
  161    HD3  PRO  17           HD3      PRO  17   4.722   1.112   0.851
  162    H    LYS  18           H        LYS  18   2.750   1.301  -1.627
  163    HA   LYS  18           HA       LYS  18   1.450   1.267  -4.018
  164    HB2  LYS  18           HB2      LYS  18   0.120   1.061  -2.013
  165    HB3  LYS  18           HB3      LYS  18   0.866   2.548  -1.382
  166    HG2  LYS  18           HG2      LYS  18  -0.411   3.208  -3.816
  167    HG3  LYS  18           HG3      LYS  18  -1.558   2.318  -2.819
  168    HD2  LYS  18           HD2      LYS  18  -1.395   3.894  -1.079
  169    HD3  LYS  18           HD3      LYS  18   0.071   4.609  -1.753
  170    HE2  LYS  18           HE2      LYS  18  -2.165   4.703  -3.607
  171    HE3  LYS  18           HE3      LYS  18  -2.516   5.532  -2.091
  172    HZ1  LYS  18           HZ1      LYS  18  -0.125   6.029  -3.784
  173    HZ2  LYS  18           HZ2      LYS  18  -0.546   6.867  -2.376
  174    HZ3  LYS  18           HZ3      LYS  18  -1.513   6.997  -3.758
  175    H    GLY  19           H        GLY  19   3.652   3.167  -2.699
  176    HA2  GLY  19           HA2      GLY  19   3.203   5.461  -4.442
  177    HA3  GLY  19           HA3      GLY  19   4.452   5.328  -3.193
  178    H    LEU  20           H        LEU  20   5.219   2.627  -3.796
  179    HA   LEU  20           HA       LEU  20   7.092   3.153  -5.855
  180    HB2  LEU  20           HB2      LEU  20   6.578   0.890  -4.096
  181    HB3  LEU  20           HB3      LEU  20   7.299   0.465  -5.620
  182    HG   LEU  20           HG       LEU  20   8.581   2.554  -3.861
  183   HD11  LEU  20          HD11      LEU  20   8.294  -0.303  -3.319
  184   HD12  LEU  20          HD12      LEU  20   8.762   1.022  -2.253
  185   HD13  LEU  20          HD13      LEU  20   9.960   0.277  -3.311
  186   HD21  LEU  20          HD21      LEU  20  10.486   0.944  -5.067
  187   HD22  LEU  20          HD22      LEU  20   9.992   2.547  -5.606
  188   HD23  LEU  20          HD23      LEU  20   9.242   1.110  -6.305
  189    H    VAL  21           H        VAL  21   4.243   1.178  -5.973
  190    HA   VAL  21           HA       VAL  21   4.334   1.275  -8.783
  191    HB   VAL  21           HB       VAL  21   3.424  -1.314  -8.083
  192   HG11  VAL  21          HG11      VAL  21   5.669  -1.328  -9.800
  193   HG12  VAL  21          HG12      VAL  21   4.653   0.038 -10.258
  194   HG13  VAL  21          HG13      VAL  21   3.975  -1.589 -10.215
  195   HG21  VAL  21          HG21      VAL  21   5.234  -0.725  -6.437
  196   HG22  VAL  21          HG22      VAL  21   6.308  -0.818  -7.824
  197   HG23  VAL  21          HG23      VAL  21   5.367  -2.230  -7.342
  198    H    LYS  22           H        LYS  22   2.558  -0.026  -9.708
  199    HA   LYS  22           HA       LYS  22   0.087   1.333  -9.017
  200    HB2  LYS  22           HB2      LYS  22   0.844  -0.392 -11.387
  201    HB3  LYS  22           HB3      LYS  22  -0.739   0.342 -11.169
  202    HG2  LYS  22           HG2      LYS  22  -0.014   2.179 -12.159
  203    HG3  LYS  22           HG3      LYS  22   1.181   2.395 -10.879
  204    HD2  LYS  22           HD2      LYS  22   2.828   1.919 -12.295
  205    HD3  LYS  22           HD3      LYS  22   2.090   0.362 -12.673
  206    HE2  LYS  22           HE2      LYS  22   0.988   2.833 -13.927
  207    HE3  LYS  22           HE3      LYS  22   2.496   2.162 -14.546
  208    HZ1  LYS  22           HZ1      LYS  22   0.169   0.398 -14.180
  209    HZ2  LYS  22           HZ2      LYS  22   1.459   0.260 -15.266
  210    HZ3  LYS  22           HZ3      LYS  22   0.244   1.404 -15.539
  211    H    GLY  23           H        GLY  23  -1.968  -0.010  -9.180
  212    HA2  GLY  23           HA2      GLY  23  -3.152  -2.111  -8.670
  213    HA3  GLY  23           HA3      GLY  23  -1.600  -2.796  -8.219
  214    H    TRP  24           H        TRP  24  -0.797  -0.543  -6.672
  215    HA   TRP  24           HA       TRP  24  -1.621  -1.245  -4.128
  216    HB2  TRP  24           HB2      TRP  24  -0.089   1.063  -5.300
  217    HB3  TRP  24           HB3      TRP  24  -0.256   0.780  -3.600
  218    HD1  TRP  24           HD1      TRP  24   1.870  -0.178  -6.478
  219    HE1  TRP  24           HE1      TRP  24   3.503  -1.989  -5.804
  220    HE3  TRP  24           HE3      TRP  24   0.032  -1.222  -1.831
  221    HZ2  TRP  24           HZ2      TRP  24   3.962  -3.730  -3.648
  222    HZ3  TRP  24           HZ3      TRP  24   1.096  -3.075  -0.585
  223    HH2  TRP  24           HH2      TRP  24   3.045  -4.238  -1.434
  224    H    GLU  25           H        GLU  25  -2.790  -0.020  -2.527
  225    HA   GLU  25           HA       GLU  25  -4.194   2.392  -3.336
  226    HB2  GLU  25           HB2      GLU  25  -5.602  -0.231  -2.937
  227    HB3  GLU  25           HB3      GLU  25  -6.397   1.259  -2.458
  228    HG2  GLU  25           HG2      GLU  25  -7.165   1.291  -4.545
  229    HG3  GLU  25           HG3      GLU  25  -5.561   1.884  -4.967
  230    H    LYS  26           H        LYS  26  -3.686   3.663  -1.659
  231    HA   LYS  26           HA       LYS  26  -2.991   2.748   0.900
  232    HB2  LYS  26           HB2      LYS  26  -2.304   5.051   0.093
  233    HB3  LYS  26           HB3      LYS  26  -3.981   5.495  -0.064
  234    HG2  LYS  26           HG2      LYS  26  -4.269   5.619   2.326
  235    HG3  LYS  26           HG3      LYS  26  -2.637   4.997   2.603
  236    HD2  LYS  26           HD2      LYS  26  -3.449   7.639   1.408
  237    HD3  LYS  26           HD3      LYS  26  -2.511   7.327   2.877
  238    HE2  LYS  26           HE2      LYS  26  -0.705   6.311   1.455
  239    HE3  LYS  26           HE3      LYS  26  -1.621   6.836   0.034
  240    HZ1  LYS  26           HZ1      LYS  26  -0.537   8.622   2.145
  241    HZ2  LYS  26           HZ2      LYS  26  -1.414   9.125   0.788
  242    HZ3  LYS  26           HZ3      LYS  26   0.109   8.415   0.595
  243    H    ARG  27           H        ARG  27  -4.146   2.301   2.717
  244    HA   ARG  27           HA       ARG  27  -7.011   2.979   2.758
  245    HB2  ARG  27           HB2      ARG  27  -5.933   0.345   2.400
  246    HB3  ARG  27           HB3      ARG  27  -6.787   0.310   3.890
  247    HG2  ARG  27           HG2      ARG  27  -8.804   1.105   2.662
  248    HG3  ARG  27           HG3      ARG  27  -7.868   1.090   1.173
  249    HD2  ARG  27           HD2      ARG  27  -9.306  -0.926   1.552
  250    HD3  ARG  27           HD3      ARG  27  -7.603  -1.255   1.246
  251    HE   ARG  27           HE       ARG  27  -8.290  -1.101   4.043
  252   HH11  ARG  27          HH11      ARG  27  -8.054  -3.205   1.253
  253   HH12  ARG  27          HH12      ARG  27  -7.902  -4.645   2.201
  254   HH21  ARG  27          HH21      ARG  27  -8.089  -2.999   5.284
  255   HH22  ARG  27          HH22      ARG  27  -7.923  -4.529   4.489
  256    H    TRP  28           H        TRP  28  -7.986   2.592   4.842
  257    HA   TRP  28           HA       TRP  28  -6.433   3.764   6.949
  258    HB2  TRP  28           HB2      TRP  28  -8.816   4.351   6.533
  259    HB3  TRP  28           HB3      TRP  28  -9.275   2.723   6.987
  260    HD1  TRP  28           HD1      TRP  28 -10.432   2.900   9.201
  261    HE1  TRP  28           HE1      TRP  28  -9.991   4.032  11.454
  262    HE3  TRP  28           HE3      TRP  28  -6.236   5.514   7.955
  263    HZ2  TRP  28           HZ2      TRP  28  -8.104   5.821  12.567
  264    HZ3  TRP  28           HZ3      TRP  28  -5.176   6.923   9.670
  265    HH2  TRP  28           HH2      TRP  28  -6.090   7.072  11.928
  266    H    ASP  29           H        ASP  29  -6.084   2.904   9.041
  267    HA   ASP  29           HA       ASP  29  -6.001  -0.047   9.121
  268    HB2  ASP  29           HB2      ASP  29  -3.804   1.289   9.362
  269    HB3  ASP  29           HB3      ASP  29  -4.378   1.725  10.947
  Start of MODEL   15
    1    H1   ARG   1           H1       ARG   1  -3.743   3.484  12.994
    2    H2   ARG   1           H2       ARG   1  -4.764   3.148  11.657
    3    H3   ARG   1           H3       ARG   1  -4.268   4.758  11.976
    4    HA   ARG   1           HA       ARG   1  -2.092   4.337  11.392
    5    HB2  ARG   1           HB2      ARG   1  -2.683   1.760  12.321
    6    HB3  ARG   1           HB3      ARG   1  -2.400   1.528  10.609
    7    HG2  ARG   1           HG2      ARG   1  -0.202   2.790  10.973
    8    HG3  ARG   1           HG3      ARG   1  -0.494   2.539  12.699
    9    HD2  ARG   1           HD2      ARG   1   0.734   0.680  12.248
   10    HD3  ARG   1           HD3      ARG   1  -0.876   0.051  11.909
   11    HE   ARG   1           HE       ARG   1   1.176   0.759   9.942
   12   HH11  ARG   1          HH11      ARG   1  -2.014  -0.546  10.605
   13   HH12  ARG   1          HH12      ARG   1  -2.176  -1.258   9.036
   14   HH21  ARG   1          HH21      ARG   1   0.947  -0.188   7.885
   15   HH22  ARG   1          HH22      ARG   1  -0.498  -1.059   7.498
   16    H    TRP   2           H        TRP   2  -1.372   4.430   9.301
   17    HA   TRP   2           HA       TRP   2  -3.410   4.072   7.202
   18    HB2  TRP   2           HB2      TRP   2  -1.271   6.132   7.605
   19    HB3  TRP   2           HB3      TRP   2  -1.898   5.824   6.032
   20    HD1  TRP   2           HD1      TRP   2  -2.615   7.666   9.123
   21    HE1  TRP   2           HE1      TRP   2  -4.841   8.962   8.892
   22    HE3  TRP   2           HE3      TRP   2  -4.232   5.554   4.858
   23    HZ2  TRP   2           HZ2      TRP   2  -7.019   9.043   7.057
   24    HZ3  TRP   2           HZ3      TRP   2  -6.380   6.255   3.879
   25    HH2  TRP   2           HH2      TRP   2  -7.749   7.974   4.963
   26    H    PHE   3           H        PHE   3  -2.627   3.433   5.089
   27    HA   PHE   3           HA       PHE   3  -0.028   2.802   4.438
   28    HB2  PHE   3           HB2      PHE   3   0.278   0.503   4.778
   29    HB3  PHE   3           HB3      PHE   3  -0.221   1.189   6.269
   30    HD1  PHE   3           HD1      PHE   3  -3.129   1.199   6.242
   31    HD2  PHE   3           HD2      PHE   3  -0.445  -1.591   4.499
   32    HE1  PHE   3           HE1      PHE   3  -4.886  -0.491   6.194
   33    HE2  PHE   3           HE2      PHE   3  -2.197  -3.296   4.461
   34    HZ   PHE   3           HZ       PHE   3  -4.454  -2.727   5.304
   35    H    TYR   4           H        TYR   4   0.167   1.063   2.706
   36    HA   TYR   4           HA       TYR   4  -1.885   1.590   0.717
   37    HB2  TYR   4           HB2      TYR   4   0.798   0.675   0.023
   38    HB3  TYR   4           HB3      TYR   4  -0.070   1.989  -0.576
   39    HD1  TYR   4           HD2      TYR   4  -0.401   3.276   2.266
   40    HD2  TYR   4           HD1      TYR   4   3.080   1.988   0.050
   41    HE1  TYR   4           HE2      TYR   4   0.876   4.939   3.351
   42    HE2  TYR   4           HE1      TYR   4   4.322   3.709   1.197
   43    HH   TYR   4           HH       TYR   4   3.415   6.217   2.497
   44    H    PHE   5           H        PHE   5  -2.143  -0.166  -0.963
   45    HA   PHE   5           HA       PHE   5  -1.465  -2.852  -0.066
   46    HB2  PHE   5           HB2      PHE   5  -3.652  -2.310   0.927
   47    HB3  PHE   5           HB3      PHE   5  -4.299  -1.993  -0.660
   48    HD1  PHE   5           HD1      PHE   5  -2.345  -4.712   1.012
   49    HD2  PHE   5           HD2      PHE   5  -5.495  -3.626  -1.642
   50    HE1  PHE   5           HE1      PHE   5  -2.862  -7.090   0.621
   51    HE2  PHE   5           HE2      PHE   5  -5.996  -5.976  -2.049
   52    HZ   PHE   5           HZ       PHE   5  -4.674  -7.694  -0.952
   53    H    ASN   6           H        ASN   6  -1.117  -4.277  -1.790
   54    HA   ASN   6           HA       ASN   6  -1.757  -3.170  -4.455
   55    HB2  ASN   6           HB2      ASN   6   0.677  -3.656  -3.915
   56    HB3  ASN   6           HB3      ASN   6   0.266  -5.316  -3.715
   57   HD21  ASN   6          HD21      ASN   6   0.899  -2.788  -6.137
   58   HD22  ASN   6          HD22      ASN   6   0.717  -3.816  -7.498
   59    H    ARG   7           H        ARG   7  -3.318  -4.111  -5.514
   60    HA   ARG   7           HA       ARG   7  -4.686  -6.367  -4.420
   61    HB2  ARG   7           HB2      ARG   7  -6.409  -5.759  -5.827
   62    HB3  ARG   7           HB3      ARG   7  -5.528  -4.242  -5.655
   63    HG2  ARG   7           HG2      ARG   7  -4.600  -4.366  -7.723
   64    HG3  ARG   7           HG3      ARG   7  -4.899  -6.083  -7.888
   65    HD2  ARG   7           HD2      ARG   7  -7.351  -5.622  -7.979
   66    HD3  ARG   7           HD3      ARG   7  -6.983  -3.884  -7.940
   67    HE   ARG   7           HE       ARG   7  -5.589  -5.245 -10.092
   68   HH11  ARG   7          HH11      ARG   7  -8.684  -3.851  -9.163
   69   HH12  ARG   7          HH12      ARG   7  -9.166  -3.536 -10.795
   70   HH21  ARG   7          HH21      ARG   7  -6.243  -4.822 -12.228
   71   HH22  ARG   7          HH22      ARG   7  -7.781  -4.087 -12.535
   72    H    ILE   8           H        ILE   8  -2.322  -5.949  -6.911
   73    HA   ILE   8           HA       ILE   8  -2.977  -8.393  -8.311
   74    HB   ILE   8           HB       ILE   8  -0.565  -6.571  -8.539
   75   HG12  ILE   8          HG12      ILE   8  -3.091  -5.904  -9.307
   76   HG13  ILE   8          HG13      ILE   8  -1.634  -5.307 -10.076
   77   HG21  ILE   8          HG21      ILE   8  -1.383  -8.800 -10.394
   78   HG22  ILE   8          HG22      ILE   8  -0.019  -8.825  -9.274
   79   HG23  ILE   8          HG23      ILE   8  -0.032  -7.690 -10.623
   80   HD11  ILE   8          HD11      ILE   8  -2.218  -7.711 -11.378
   81   HD12  ILE   8          HD12      ILE   8  -2.420  -6.069 -11.984
   82   HD13  ILE   8          HD13      ILE   8  -3.759  -6.878 -11.173
   83    H    THR   9           H        THR   9  -0.342  -7.333  -6.155
   84    HA   THR   9           HA       THR   9   0.579 -10.100  -5.975
   85    HB   THR   9           HB       THR   9   2.644  -9.233  -5.144
   86    HG1  THR   9           HG1      THR   9   2.889  -6.986  -4.783
   87   HG21  THR   9          HG21      THR   9   3.444  -8.220  -7.017
   88   HG22  THR   9          HG22      THR   9   2.029  -7.176  -7.178
   89   HG23  THR   9          HG23      THR   9   1.926  -8.876  -7.635
   90    H    GLY  10           H        GLY  10  -1.049  -7.738  -4.230
   91    HA2  GLY  10           HA2      GLY  10  -2.014  -7.691  -2.122
   92    HA3  GLY  10           HA3      GLY  10  -1.746  -9.414  -2.131
   93    H    LYS  11           H        LYS  11   1.013  -7.136  -2.358
   94    HA   LYS  11           HA       LYS  11   1.789  -8.116   0.277
   95    HB2  LYS  11           HB2      LYS  11   3.605  -7.211  -1.944
   96    HB3  LYS  11           HB3      LYS  11   4.045  -8.037  -0.478
   97    HG2  LYS  11           HG2      LYS  11   2.166  -9.342  -2.365
   98    HG3  LYS  11           HG3      LYS  11   3.890  -9.334  -2.718
   99    HD2  LYS  11           HD2      LYS  11   2.704 -10.323  -0.130
  100    HD3  LYS  11           HD3      LYS  11   3.074 -11.366  -1.502
  101    HE2  LYS  11           HE2      LYS  11   5.258  -9.598  -0.601
  102    HE3  LYS  11           HE3      LYS  11   4.789 -10.872   0.523
  103    HZ1  LYS  11           HZ1      LYS  11   6.549 -11.586  -0.981
  104    HZ2  LYS  11           HZ2      LYS  11   5.554 -11.291  -2.317
  105    HZ3  LYS  11           HZ3      LYS  11   5.146 -12.503  -1.210
  106    H    ARG  12           H        ARG  12   0.425  -6.100   0.835
  107    HA   ARG  12           HA       ARG  12   1.043  -3.523   0.698
  108    HB2  ARG  12           HB2      ARG  12   0.061  -3.260   2.915
  109    HB3  ARG  12           HB3      ARG  12  -0.817  -4.482   2.053
  110    HG2  ARG  12           HG2      ARG  12  -0.361  -6.029   3.579
  111    HG3  ARG  12           HG3      ARG  12   1.338  -5.584   3.644
  112    HD2  ARG  12           HD2      ARG  12   0.995  -4.658   5.626
  113    HD3  ARG  12           HD3      ARG  12  -0.065  -3.480   4.856
  114    HE   ARG  12           HE       ARG  12  -1.525  -5.829   5.311
  115   HH11  ARG  12          HH11      ARG  12  -0.027  -3.237   7.128
  116   HH12  ARG  12          HH12      ARG  12  -1.139  -3.356   8.449
  117   HH21  ARG  12          HH21      ARG  12  -2.986  -5.980   7.055
  118   HH22  ARG  12          HH22      ARG  12  -2.818  -4.914   8.410
  119    H    GLN  13           H        GLN  13   2.634  -2.186   1.438
  120    HA   GLN  13           HA       GLN  13   4.935  -3.220   2.930
  121    HB2  GLN  13           HB2      GLN  13   4.684  -2.718   0.216
  122    HB3  GLN  13           HB3      GLN  13   5.488  -1.311   0.913
  123    HG2  GLN  13           HG2      GLN  13   7.204  -2.588   1.720
  124    HG3  GLN  13           HG3      GLN  13   6.333  -4.042   1.388
  125   HE21  GLN  13          HE21      GLN  13   6.520  -1.307  -0.775
  126   HE22  GLN  13          HE22      GLN  13   7.396  -2.127  -2.016
  127    H    PHE  14           H        PHE  14   4.399  -1.853   4.691
  128    HA   PHE  14           HA       PHE  14   3.493   0.732   4.819
  129    HB2  PHE  14           HB2      PHE  14   4.364  -0.765   6.847
  130    HB3  PHE  14           HB3      PHE  14   5.903   0.025   6.558
  131    HD1  PHE  14           HD2      PHE  14   2.332   1.098   6.750
  132    HD2  PHE  14           HD1      PHE  14   6.345   1.756   7.986
  133    HE1  PHE  14           HE2      PHE  14   1.606   3.017   8.081
  134    HE2  PHE  14           HE1      PHE  14   5.621   3.677   9.325
  135    HZ   PHE  14           HZ       PHE  14   3.249   4.304   9.370
  136    H    GLU  15           H        GLU  15   6.601  -0.302   3.586
  137    HA   GLU  15           HA       GLU  15   8.047   2.092   3.634
  138    HB2  GLU  15           HB2      GLU  15   8.408  -0.410   2.585
  139    HB3  GLU  15           HB3      GLU  15   8.204   0.549   1.186
  140    HG2  GLU  15           HG2      GLU  15   9.967   1.880   2.945
  141    HG3  GLU  15           HG3      GLU  15  10.483   0.205   2.791
  142    H    ARG  16           H        ARG  16   8.575   2.927   1.382
  143    HA   ARG  16           HA       ARG  16   6.719   4.678   0.563
  144    HB2  ARG  16           HB2      ARG  16   8.881   5.135   0.000
  145    HB3  ARG  16           HB3      ARG  16   9.113   3.559  -0.702
  146    HG2  ARG  16           HG2      ARG  16   7.588   4.182  -2.516
  147    HG3  ARG  16           HG3      ARG  16   7.534   5.821  -1.873
  148    HD2  ARG  16           HD2      ARG  16  10.030   4.382  -2.771
  149    HD3  ARG  16           HD3      ARG  16   9.149   5.569  -3.729
  150    HE   ARG  16           HE       ARG  16   9.876   7.264  -2.274
  151   HH11  ARG  16          HH11      ARG  16  11.174   4.133  -1.367
  152   HH12  ARG  16          HH12      ARG  16  12.410   4.805  -0.361
  153   HH21  ARG  16          HH21      ARG  16  11.508   8.133  -0.944
  154   HH22  ARG  16          HH22      ARG  16  12.600   7.072  -0.120
  155    HA   PRO  17           HA       PRO  17   5.468   1.664  -2.997
  156    HB2  PRO  17           HB2      PRO  17   6.578  -0.781  -2.826
  157    HB3  PRO  17           HB3      PRO  17   7.282   0.569  -3.730
  158    HG2  PRO  17           HG2      PRO  17   7.985  -0.383  -0.992
  159    HG3  PRO  17           HG3      PRO  17   9.049   0.276  -2.248
  160    HD2  PRO  17           HD2      PRO  17   8.118   1.724  -0.085
  161    HD3  PRO  17           HD3      PRO  17   8.506   2.461  -1.601
  162    H    LYS  18           H        LYS  18   4.025   0.173  -3.113
  163    HA   LYS  18           HA       LYS  18   2.523  -1.235  -2.460
  164    HB2  LYS  18           HB2      LYS  18   2.043  -1.921  -0.300
  165    HB3  LYS  18           HB3      LYS  18   3.754  -1.514  -0.230
  166    HG2  LYS  18           HG2      LYS  18   3.419   0.118   1.148
  167    HG3  LYS  18           HG3      LYS  18   2.171   0.778   0.226
  168    HD2  LYS  18           HD2      LYS  18   0.602   0.016   1.583
  169    HD3  LYS  18           HD3      LYS  18   1.241  -1.575   1.629
  170    HE2  LYS  18           HE2      LYS  18   2.947  -0.006   3.191
  171    HE3  LYS  18           HE3      LYS  18   1.352   0.523   3.600
  172    HZ1  LYS  18           HZ1      LYS  18   1.522  -1.201   5.028
  173    HZ2  LYS  18           HZ2      LYS  18   2.569  -2.085   4.046
  174    HZ3  LYS  18           HZ3      LYS  18   0.933  -2.048   3.696
  175    H    GLY  19           H        GLY  19   3.198   1.843  -2.186
  176    HA2  GLY  19           HA2      GLY  19   0.468   2.774  -2.547
  177    HA3  GLY  19           HA3      GLY  19   1.568   3.640  -1.480
  178    H    LEU  20           H        LEU  20   4.013   3.342  -3.103
  179    HA   LEU  20           HA       LEU  20   3.232   5.226  -5.212
  180    HB2  LEU  20           HB2      LEU  20   5.675   4.784  -3.642
  181    HB3  LEU  20           HB3      LEU  20   5.932   5.307  -5.285
  182    HG   LEU  20           HG       LEU  20   4.115   6.888  -3.472
  183   HD11  LEU  20          HD11      LEU  20   6.175   8.277  -2.981
  184   HD12  LEU  20          HD12      LEU  20   7.110   6.864  -3.470
  185   HD13  LEU  20          HD13      LEU  20   6.000   6.758  -2.104
  186   HD21  LEU  20          HD21      LEU  20   3.999   8.096  -5.358
  187   HD22  LEU  20          HD22      LEU  20   5.319   7.193  -6.106
  188   HD23  LEU  20          HD23      LEU  20   5.671   8.557  -5.047
  189    H    VAL  21           H        VAL  21   2.571   2.700  -5.696
  190    HA   VAL  21           HA       VAL  21   3.938   2.044  -8.097
  191    HB   VAL  21           HB       VAL  21   3.697   0.291  -5.778
  192   HG11  VAL  21          HG11      VAL  21   4.484  -1.573  -7.283
  193   HG12  VAL  21          HG12      VAL  21   4.199  -0.525  -8.665
  194   HG13  VAL  21          HG13      VAL  21   2.842  -1.072  -7.683
  195   HG21  VAL  21          HG21      VAL  21   5.530   1.629  -6.027
  196   HG22  VAL  21          HG22      VAL  21   5.848   0.912  -7.615
  197   HG23  VAL  21          HG23      VAL  21   5.912  -0.088  -6.159
  198    H    LYS  22           H        LYS  22   2.767   0.343  -9.193
  199    HA   LYS  22           HA       LYS  22   0.000   1.118  -9.504
  200    HB2  LYS  22           HB2      LYS  22   1.531  -0.984 -11.029
  201    HB3  LYS  22           HB3      LYS  22  -0.064  -0.401 -11.429
  202    HG2  LYS  22           HG2      LYS  22   2.493   0.644 -12.205
  203    HG3  LYS  22           HG3      LYS  22   0.886   1.057 -12.787
  204    HD2  LYS  22           HD2      LYS  22   1.214   3.073 -11.898
  205    HD3  LYS  22           HD3      LYS  22   1.028   2.314 -10.319
  206    HE2  LYS  22           HE2      LYS  22   3.521   1.817 -10.438
  207    HE3  LYS  22           HE3      LYS  22   3.568   2.921 -11.811
  208    HZ1  LYS  22           HZ1      LYS  22   4.088   3.868  -9.529
  209    HZ2  LYS  22           HZ2      LYS  22   2.433   3.742  -9.206
  210    HZ3  LYS  22           HZ3      LYS  22   2.973   4.720 -10.475
  211    H    GLY  23           H        GLY  23  -1.770  -0.274  -9.447
  212    HA2  GLY  23           HA2      GLY  23  -3.013  -2.254  -8.715
  213    HA3  GLY  23           HA3      GLY  23  -1.497  -2.928  -8.166
  214    H    TRP  24           H        TRP  24  -0.740  -0.557  -6.739
  215    HA   TRP  24           HA       TRP  24  -1.598  -1.156  -4.204
  216    HB2  TRP  24           HB2      TRP  24  -0.052   1.116  -5.412
  217    HB3  TRP  24           HB3      TRP  24  -0.190   0.852  -3.695
  218    HD1  TRP  24           HD1      TRP  24   1.878  -0.078  -6.554
  219    HE1  TRP  24           HE1      TRP  24   3.517  -1.994  -5.915
  220    HE3  TRP  24           HE3      TRP  24  -0.179  -1.391  -2.101
  221    HZ2  TRP  24           HZ2      TRP  24   3.765  -3.909  -3.894
  222    HZ3  TRP  24           HZ3      TRP  24   0.739  -3.399  -0.954
  223    HH2  TRP  24           HH2      TRP  24   2.710  -4.550  -1.780
  224    H    GLU  25           H        GLU  25  -2.826  -0.014  -2.648
  225    HA   GLU  25           HA       GLU  25  -4.141   2.464  -3.426
  226    HB2  GLU  25           HB2      GLU  25  -5.641  -0.114  -3.051
  227    HB3  GLU  25           HB3      GLU  25  -6.391   1.414  -2.618
  228    HG2  GLU  25           HG2      GLU  25  -7.105   1.398  -4.731
  229    HG3  GLU  25           HG3      GLU  25  -5.488   2.000  -5.091
  230    H    LYS  26           H        LYS  26  -3.519   3.678  -1.723
  231    HA   LYS  26           HA       LYS  26  -3.049   2.682   0.888
  232    HB2  LYS  26           HB2      LYS  26  -1.965   4.854   0.506
  233    HB3  LYS  26           HB3      LYS  26  -3.402   5.494  -0.209
  234    HG2  LYS  26           HG2      LYS  26  -3.488   6.605   1.704
  235    HG3  LYS  26           HG3      LYS  26  -4.394   5.200   2.185
  236    HD2  LYS  26           HD2      LYS  26  -2.918   5.320   3.934
  237    HD3  LYS  26           HD3      LYS  26  -1.976   4.323   2.816
  238    HE2  LYS  26           HE2      LYS  26  -0.596   6.116   2.149
  239    HE3  LYS  26           HE3      LYS  26  -1.753   7.315   2.744
  240    HZ1  LYS  26           HZ1      LYS  26  -1.045   7.088   4.882
  241    HZ2  LYS  26           HZ2      LYS  26   0.404   6.761   4.076
  242    HZ3  LYS  26           HZ3      LYS  26  -0.529   5.488   4.684
  243    H    ARG  27           H        ARG  27  -4.321   2.253   2.552
  244    HA   ARG  27           HA       ARG  27  -7.157   3.026   2.372
  245    HB2  ARG  27           HB2      ARG  27  -6.233   0.496   2.237
  246    HB3  ARG  27           HB3      ARG  27  -6.446   0.573   3.948
  247    HG2  ARG  27           HG2      ARG  27  -8.324   0.168   1.788
  248    HG3  ARG  27           HG3      ARG  27  -8.542  -0.073   3.505
  249    HD2  ARG  27           HD2      ARG  27  -9.674   1.859   3.756
  250    HD3  ARG  27           HD3      ARG  27  -8.643   2.733   2.632
  251    HE   ARG  27           HE       ARG  27 -11.052   1.235   1.996
  252   HH11  ARG  27          HH11      ARG  27  -8.282   3.019   0.797
  253   HH12  ARG  27          HH12      ARG  27  -8.986   3.299  -0.758
  254   HH21  ARG  27          HH21      ARG  27 -11.965   1.608  -0.056
  255   HH22  ARG  27          HH22      ARG  27 -11.073   2.500  -1.243
  256    H    TRP  28           H        TRP  28  -8.200   2.724   4.576
  257    HA   TRP  28           HA       TRP  28  -6.529   4.018   6.629
  258    HB2  TRP  28           HB2      TRP  28  -8.255   5.531   5.791
  259    HB3  TRP  28           HB3      TRP  28  -9.494   4.330   6.107
  260    HD1  TRP  28           HD1      TRP  28 -10.879   5.531   7.907
  261    HE1  TRP  28           HE1      TRP  28 -10.418   6.416  10.263
  262    HE3  TRP  28           HE3      TRP  28  -5.796   5.082   7.943
  263    HZ2  TRP  28           HZ2      TRP  28  -8.182   6.874  11.937
  264    HZ3  TRP  28           HZ3      TRP  28  -4.568   5.767   9.961
  265    HH2  TRP  28           HH2      TRP  28  -5.734   6.644  11.914
  266    H    ASP  29           H        ASP  29  -6.225   2.932   8.464
  267    HA   ASP  29           HA       ASP  29  -8.311   1.228   9.538
  268    HB2  ASP  29           HB2      ASP  29  -6.848  -0.153   7.966
  269    HB3  ASP  29           HB3      ASP  29  -5.567   0.037   9.155
  Start of MODEL   16
    1    H1   ARG   1           H1       ARG   1  -4.472   3.857  12.639
    2    H2   ARG   1           H2       ARG   1  -3.799   2.426  13.300
    3    H3   ARG   1           H3       ARG   1  -4.808   2.342  11.914
    4    HA   ARG   1           HA       ARG   1  -2.398   3.974  11.840
    5    HB2  ARG   1           HB2      ARG   1  -2.416   1.204  12.497
    6    HB3  ARG   1           HB3      ARG   1  -1.935   1.306  10.814
    7    HG2  ARG   1           HG2      ARG   1  -0.163   2.968  11.553
    8    HG3  ARG   1           HG3      ARG   1  -0.553   2.496  13.209
    9    HD2  ARG   1           HD2      ARG   1  -0.125   0.122  12.523
   10    HD3  ARG   1           HD3      ARG   1   0.487   0.746  10.992
   11    HE   ARG   1           HE       ARG   1   1.784   0.860  13.573
   12   HH11  ARG   1          HH11      ARG   1   1.699   2.137  10.311
   13   HH12  ARG   1          HH12      ARG   1   3.337   2.693  10.359
   14   HH21  ARG   1          HH21      ARG   1   3.939   1.599  13.625
   15   HH22  ARG   1          HH22      ARG   1   4.608   2.390  12.237
   16    H    TRP   2           H        TRP   2  -1.564   4.037   9.646
   17    HA   TRP   2           HA       TRP   2  -3.645   3.591   7.609
   18    HB2  TRP   2           HB2      TRP   2  -1.667   5.810   8.025
   19    HB3  TRP   2           HB3      TRP   2  -2.340   5.527   6.463
   20    HD1  TRP   2           HD1      TRP   2  -2.945   7.367   9.525
   21    HE1  TRP   2           HE1      TRP   2  -5.306   8.417   9.521
   22    HE3  TRP   2           HE3      TRP   2  -4.858   4.833   5.619
   23    HZ2  TRP   2           HZ2      TRP   2  -7.691   8.171   7.989
   24    HZ3  TRP   2           HZ3      TRP   2  -7.178   5.270   4.894
   25    HH2  TRP   2           HH2      TRP   2  -8.566   6.908   6.067
   26    H    PHE   3           H        PHE   3  -2.786   3.169   5.404
   27    HA   PHE   3           HA       PHE   3  -0.158   2.753   4.743
   28    HB2  PHE   3           HB2      PHE   3   0.135   0.333   4.808
   29    HB3  PHE   3           HB3      PHE   3  -0.005   1.075   6.379
   30    HD1  PHE   3           HD1      PHE   3  -1.771  -0.838   3.812
   31    HD2  PHE   3           HD2      PHE   3  -1.702   0.315   7.896
   32    HE1  PHE   3           HE1      PHE   3  -3.537  -2.475   4.290
   33    HE2  PHE   3           HE2      PHE   3  -3.444  -1.331   8.399
   34    HZ   PHE   3           HZ       PHE   3  -4.398  -2.710   6.579
   35    H    TYR   4           H        TYR   4   0.196   1.372   2.817
   36    HA   TYR   4           HA       TYR   4  -2.077   1.755   1.063
   37    HB2  TYR   4           HB2      TYR   4   0.683   1.354   0.062
   38    HB3  TYR   4           HB3      TYR   4  -0.550   2.467  -0.415
   39    HD1  TYR   4           HD1      TYR   4  -0.731   3.469   2.738
   40    HD2  TYR   4           HD2      TYR   4   2.271   3.156  -0.270
   41    HE1  TYR   4           HE1      TYR   4   0.470   5.223   3.808
   42    HE2  TYR   4           HE2      TYR   4   3.513   4.952   0.833
   43    HH   TYR   4           HH       TYR   4   3.378   5.846   3.660
   44    H    PHE   5           H        PHE   5  -2.812   0.192  -0.273
   45    HA   PHE   5           HA       PHE   5  -1.657  -2.491   0.058
   46    HB2  PHE   5           HB2      PHE   5  -3.875  -2.156   1.101
   47    HB3  PHE   5           HB3      PHE   5  -4.540  -1.788  -0.466
   48    HD1  PHE   5           HD1      PHE   5  -2.285  -4.473   0.839
   49    HD2  PHE   5           HD2      PHE   5  -5.799  -3.471  -1.330
   50    HE1  PHE   5           HE1      PHE   5  -2.663  -6.844   0.359
   51    HE2  PHE   5           HE2      PHE   5  -6.181  -5.836  -1.819
   52    HZ   PHE   5           HZ       PHE   5  -4.609  -7.513  -0.985
   53    H    ASN   6           H        ASN   6  -1.068  -3.582  -1.718
   54    HA   ASN   6           HA       ASN   6  -1.905  -2.453  -4.302
   55    HB2  ASN   6           HB2      ASN   6   0.563  -2.605  -3.943
   56    HB3  ASN   6           HB3      ASN   6   0.415  -4.306  -3.619
   57   HD21  ASN   6          HD21      ASN   6  -0.822  -2.037  -6.085
   58   HD22  ASN   6          HD22      ASN   6  -0.411  -3.001  -7.452
   59    H    ARG   7           H        ARG   7  -3.583  -3.448  -5.101
   60    HA   ARG   7           HA       ARG   7  -4.474  -6.005  -4.257
   61    HB2  ARG   7           HB2      ARG   7  -6.369  -5.600  -5.522
   62    HB3  ARG   7           HB3      ARG   7  -5.793  -3.992  -5.107
   63    HG2  ARG   7           HG2      ARG   7  -4.995  -3.572  -7.206
   64    HG3  ARG   7           HG3      ARG   7  -4.979  -5.265  -7.659
   65    HD2  ARG   7           HD2      ARG   7  -7.468  -5.289  -7.588
   66    HD3  ARG   7           HD3      ARG   7  -7.441  -3.547  -7.236
   67    HE   ARG   7           HE       ARG   7  -5.961  -4.189  -9.648
   68   HH11  ARG   7          HH11      ARG   7  -9.201  -3.662  -8.379
   69   HH12  ARG   7          HH12      ARG   7  -9.848  -3.172  -9.908
   70   HH21  ARG   7          HH21      ARG   7  -6.834  -3.541 -11.647
   71   HH22  ARG   7          HH22      ARG   7  -8.506  -3.104 -11.763
   72    H    ILE   8           H        ILE   8  -2.376  -4.986  -6.772
   73    HA   ILE   8           HA       ILE   8  -2.802  -7.204  -8.538
   74    HB   ILE   8           HB       ILE   8  -0.499  -5.241  -8.343
   75   HG12  ILE   8          HG12      ILE   8  -3.017  -4.624  -9.176
   76   HG13  ILE   8          HG13      ILE   8  -1.565  -3.836  -9.758
   77   HG21  ILE   8          HG21      ILE   8   0.206  -5.993 -10.552
   78   HG22  ILE   8          HG22      ILE   8  -1.042  -7.238 -10.532
   79   HG23  ILE   8          HG23      ILE   8   0.279  -7.294  -9.364
   80   HD11  ILE   8          HD11      ILE   8  -3.521  -5.284 -11.219
   81   HD12  ILE   8          HD12      ILE   8  -1.967  -6.100 -11.393
   82   HD13  ILE   8          HD13      ILE   8  -2.120  -4.396 -11.810
   83    H    THR   9           H        THR   9  -0.227  -6.415  -6.193
   84    HA   THR   9           HA       THR   9   0.762  -9.150  -6.418
   85    HB   THR   9           HB       THR   9   2.770  -8.401  -5.371
   86    HG1  THR   9           HG1      THR   9   2.926  -6.200  -4.659
   87   HG21  THR   9          HG21      THR   9   2.290  -7.725  -7.768
   88   HG22  THR   9          HG22      THR   9   3.587  -6.871  -6.925
   89   HG23  THR   9          HG23      THR   9   2.005  -6.109  -7.124
   90    H    GLY  10           H        GLY  10  -0.945  -7.122  -4.341
   91    HA2  GLY  10           HA2      GLY  10  -2.250  -7.688  -2.507
   92    HA3  GLY  10           HA3      GLY  10  -1.475  -9.240  -2.505
   93    H    LYS  11           H        LYS  11   0.749  -6.625  -2.557
   94    HA   LYS  11           HA       LYS  11   1.457  -7.135   0.206
   95    HB2  LYS  11           HB2      LYS  11   2.849  -5.842  -2.128
   96    HB3  LYS  11           HB3      LYS  11   3.541  -5.897  -0.520
   97    HG2  LYS  11           HG2      LYS  11   2.689  -8.362  -1.990
   98    HG3  LYS  11           HG3      LYS  11   4.270  -7.635  -2.241
   99    HD2  LYS  11           HD2      LYS  11   3.155  -8.757   0.319
  100    HD3  LYS  11           HD3      LYS  11   4.481  -9.404  -0.637
  101    HE2  LYS  11           HE2      LYS  11   4.603  -6.654   0.564
  102    HE3  LYS  11           HE3      LYS  11   5.065  -8.085   1.480
  103    HZ1  LYS  11           HZ1      LYS  11   6.275  -7.163  -1.071
  104    HZ2  LYS  11           HZ2      LYS  11   6.678  -8.603  -0.280
  105    HZ3  LYS  11           HZ3      LYS  11   6.993  -7.115   0.461
  106    H    ARG  12           H        ARG  12   1.973  -5.272   1.609
  107    HA   ARG  12           HA       ARG  12   0.902  -2.719   0.947
  108    HB2  ARG  12           HB2      ARG  12  -0.987  -2.874   2.317
  109    HB3  ARG  12           HB3      ARG  12  -0.945  -4.420   1.529
  110    HG2  ARG  12           HG2      ARG  12   0.056  -3.858   4.303
  111    HG3  ARG  12           HG3      ARG  12  -1.508  -4.541   3.912
  112    HD2  ARG  12           HD2      ARG  12   1.167  -5.785   3.250
  113    HD3  ARG  12           HD3      ARG  12   0.114  -6.247   4.581
  114    HE   ARG  12           HE       ARG  12  -0.896  -6.488   1.802
  115   HH11  ARG  12          HH11      ARG  12   0.029  -8.001   4.844
  116   HH12  ARG  12          HH12      ARG  12  -0.729  -9.506   4.455
  117   HH21  ARG  12          HH21      ARG  12  -1.887  -8.474   1.324
  118   HH22  ARG  12          HH22      ARG  12  -1.813  -9.775   2.464
  119    H    GLN  13           H        GLN  13   1.593  -1.078   2.443
  120    HA   GLN  13           HA       GLN  13   2.434  -1.652   5.061
  121    HB2  GLN  13           HB2      GLN  13   4.707  -0.400   4.171
  122    HB3  GLN  13           HB3      GLN  13   4.564  -2.005   4.819
  123    HG2  GLN  13           HG2      GLN  13   5.586  -2.528   2.971
  124    HG3  GLN  13           HG3      GLN  13   3.986  -2.478   2.282
  125   HE21  GLN  13          HE21      GLN  13   3.473   0.145   1.833
  126   HE22  GLN  13          HE22      GLN  13   4.682   0.844   0.821
  127    H    PHE  14           H        PHE  14   3.790   0.222   5.867
  128    HA   PHE  14           HA       PHE  14   2.195   2.644   5.514
  129    HB2  PHE  14           HB2      PHE  14   3.073   1.636   7.791
  130    HB3  PHE  14           HB3      PHE  14   4.614   2.327   7.315
  131    HD1  PHE  14           HD1      PHE  14   1.149   3.617   7.067
  132    HD2  PHE  14           HD2      PHE  14   5.040   4.135   8.647
  133    HE1  PHE  14           HE1      PHE  14   0.451   5.758   8.038
  134    HE2  PHE  14           HE2      PHE  14   4.367   6.285   9.625
  135    HZ   PHE  14           HZ       PHE  14   2.069   7.092   9.316
  136    H    GLU  15           H        GLU  15   5.109   1.246   4.413
  137    HA   GLU  15           HA       GLU  15   6.568   3.663   3.896
  138    HB2  GLU  15           HB2      GLU  15   7.139   1.004   4.155
  139    HB3  GLU  15           HB3      GLU  15   7.318   1.265   2.470
  140    HG2  GLU  15           HG2      GLU  15   8.560   3.358   3.957
  141    HG3  GLU  15           HG3      GLU  15   9.118   1.789   4.521
  142    H    ARG  16           H        ARG  16   7.616   3.460   1.694
  143    HA   ARG  16           HA       ARG  16   5.948   4.475  -0.284
  144    HB2  ARG  16           HB2      ARG  16   8.323   4.808  -0.346
  145    HB3  ARG  16           HB3      ARG  16   8.635   3.086  -0.295
  146    HG2  ARG  16           HG2      ARG  16   7.498   2.926  -2.502
  147    HG3  ARG  16           HG3      ARG  16   7.566   4.684  -2.591
  148    HD2  ARG  16           HD2      ARG  16   9.444   3.669  -3.778
  149    HD3  ARG  16           HD3      ARG  16  10.001   4.596  -2.388
  150    HE   ARG  16           HE       ARG  16   9.977   1.674  -2.641
  151   HH11  ARG  16          HH11      ARG  16  10.878   4.526  -0.808
  152   HH12  ARG  16          HH12      ARG  16  11.951   3.659   0.235
  153   HH21  ARG  16          HH21      ARG  16  11.389   0.548  -1.258
  154   HH22  ARG  16          HH22      ARG  16  12.242   1.405  -0.018
  155    HA   PRO  17           HA       PRO  17   3.695   1.006  -1.816
  156    HB2  PRO  17           HB2      PRO  17   4.352   1.104  -4.532
  157    HB3  PRO  17           HB3      PRO  17   3.006   1.940  -3.761
  158    HG2  PRO  17           HG2      PRO  17   5.718   2.965  -4.451
  159    HG3  PRO  17           HG3      PRO  17   4.153   3.790  -4.552
  160    HD2  PRO  17           HD2      PRO  17   5.846   4.328  -2.577
  161    HD3  PRO  17           HD3      PRO  17   4.125   4.185  -2.274
  162    H    LYS  18           H        LYS  18   4.147  -1.098  -1.869
  163    HA   LYS  18           HA       LYS  18   6.876  -1.980  -1.874
  164    HB2  LYS  18           HB2      LYS  18   4.484  -3.148  -0.954
  165    HB3  LYS  18           HB3      LYS  18   4.990  -4.174  -2.279
  166    HG2  LYS  18           HG2      LYS  18   6.291  -3.668   0.345
  167    HG3  LYS  18           HG3      LYS  18   6.011  -5.184  -0.509
  168    HD2  LYS  18           HD2      LYS  18   7.739  -4.489  -2.172
  169    HD3  LYS  18           HD3      LYS  18   8.089  -3.094  -1.150
  170    HE2  LYS  18           HE2      LYS  18   9.489  -4.347   0.030
  171    HE3  LYS  18           HE3      LYS  18   8.130  -5.352   0.530
  172    HZ1  LYS  18           HZ1      LYS  18   9.876  -5.758  -1.836
  173    HZ2  LYS  18           HZ2      LYS  18   8.474  -6.655  -1.535
  174    HZ3  LYS  18           HZ3      LYS  18   9.777  -6.737  -0.460
  175    H    GLY  19           H        GLY  19   6.800  -0.719  -4.018
  176    HA2  GLY  19           HA2      GLY  19   7.860  -1.984  -6.056
  177    HA3  GLY  19           HA3      GLY  19   6.168  -2.354  -6.327
  178    H    LEU  20           H        LEU  20   6.011   0.759  -5.040
  179    HA   LEU  20           HA       LEU  20   5.541   2.766  -6.073
  180    HB2  LEU  20           HB2      LEU  20   8.142   1.868  -6.831
  181    HB3  LEU  20           HB3      LEU  20   7.477   2.801  -8.144
  182    HG   LEU  20           HG       LEU  20   7.694   3.886  -5.318
  183   HD11  LEU  20          HD11      LEU  20   9.908   3.233  -6.069
  184   HD12  LEU  20          HD12      LEU  20   9.741   4.988  -6.029
  185   HD13  LEU  20          HD13      LEU  20   9.678   4.131  -7.569
  186   HD21  LEU  20          HD21      LEU  20   6.519   5.564  -6.233
  187   HD22  LEU  20          HD22      LEU  20   6.676   4.886  -7.856
  188   HD23  LEU  20          HD23      LEU  20   7.949   5.913  -7.202
  189    H    VAL  21           H        VAL  21   3.746   1.233  -6.837
  190    HA   VAL  21           HA       VAL  21   3.389   1.561  -9.661
  191    HB   VAL  21           HB       VAL  21   2.181  -0.898  -8.656
  192   HG11  VAL  21          HG11      VAL  21   3.795  -1.279 -10.958
  193   HG12  VAL  21          HG12      VAL  21   2.945   0.251 -11.173
  194   HG13  VAL  21          HG13      VAL  21   2.035  -1.228 -10.865
  195   HG21  VAL  21          HG21      VAL  21   5.020  -1.011  -9.360
  196   HG22  VAL  21          HG22      VAL  21   4.039  -2.091  -8.372
  197   HG23  VAL  21          HG23      VAL  21   4.558  -0.536  -7.739
  198    H    LYS  22           H        LYS  22   1.210   0.478 -10.141
  199    HA   LYS  22           HA       LYS  22  -0.843   2.176  -8.948
  200    HB2  LYS  22           HB2      LYS  22  -0.661   0.662 -11.557
  201    HB3  LYS  22           HB3      LYS  22  -2.201   1.257 -10.954
  202    HG2  LYS  22           HG2      LYS  22  -1.664   3.445 -11.326
  203    HG3  LYS  22           HG3      LYS  22   0.069   3.166 -11.147
  204    HD2  LYS  22           HD2      LYS  22  -0.681   1.649 -13.365
  205    HD3  LYS  22           HD3      LYS  22  -1.561   3.169 -13.534
  206    HE2  LYS  22           HE2      LYS  22   1.376   3.092 -12.906
  207    HE3  LYS  22           HE3      LYS  22   0.776   3.029 -14.563
  208    HZ1  LYS  22           HZ1      LYS  22   0.281   5.205 -12.602
  209    HZ2  LYS  22           HZ2      LYS  22  -0.373   5.140 -14.160
  210    HZ3  LYS  22           HZ3      LYS  22   1.299   5.285 -13.951
  211    H    GLY  23           H        GLY  23  -3.105   0.876  -8.908
  212    HA2  GLY  23           HA2      GLY  23  -4.205  -1.234  -8.238
  213    HA3  GLY  23           HA3      GLY  23  -2.607  -1.925  -8.038
  214    H    TRP  24           H        TRP  24  -1.523   0.253  -6.605
  215    HA   TRP  24           HA       TRP  24  -1.877  -0.439  -3.983
  216    HB2  TRP  24           HB2      TRP  24  -0.681   1.912  -5.446
  217    HB3  TRP  24           HB3      TRP  24  -0.560   1.751  -3.715
  218    HD1  TRP  24           HD1      TRP  24   1.218   0.721  -6.804
  219    HE1  TRP  24           HE1      TRP  24   3.009  -0.962  -6.236
  220    HE3  TRP  24           HE3      TRP  24  -0.236  -0.441  -2.063
  221    HZ2  TRP  24           HZ2      TRP  24   3.724  -2.651  -4.118
  222    HZ3  TRP  24           HZ3      TRP  24   1.025  -2.195  -0.887
  223    HH2  TRP  24           HH2      TRP  24   2.977  -3.211  -1.855
  224    H    GLU  25           H        GLU  25  -3.149   0.371  -2.292
  225    HA   GLU  25           HA       GLU  25  -4.628   2.856  -2.693
  226    HB2  GLU  25           HB2      GLU  25  -5.938   0.166  -2.674
  227    HB3  GLU  25           HB3      GLU  25  -6.733   1.473  -1.812
  228    HG2  GLU  25           HG2      GLU  25  -7.682   1.970  -3.753
  229    HG3  GLU  25           HG3      GLU  25  -6.120   2.646  -4.208
  230    H    LYS  26           H        LYS  26  -4.155   3.944  -0.892
  231    HA   LYS  26           HA       LYS  26  -3.356   2.654   1.494
  232    HB2  LYS  26           HB2      LYS  26  -2.506   4.985   1.072
  233    HB3  LYS  26           HB3      LYS  26  -4.138   5.560   0.900
  234    HG2  LYS  26           HG2      LYS  26  -4.561   5.360   3.264
  235    HG3  LYS  26           HG3      LYS  26  -2.961   4.648   3.522
  236    HD2  LYS  26           HD2      LYS  26  -1.856   6.642   3.037
  237    HD3  LYS  26           HD3      LYS  26  -3.269   7.322   2.212
  238    HE2  LYS  26           HE2      LYS  26  -4.476   7.485   4.352
  239    HE3  LYS  26           HE3      LYS  26  -3.082   6.776   5.179
  240    HZ1  LYS  26           HZ1      LYS  26  -1.755   8.685   4.502
  241    HZ2  LYS  26           HZ2      LYS  26  -3.099   9.171   5.405
  242    HZ3  LYS  26           HZ3      LYS  26  -3.096   9.366   3.725
  243    H    ARG  27           H        ARG  27  -4.477   1.942   3.204
  244    HA   ARG  27           HA       ARG  27  -7.365   2.548   3.312
  245    HB2  ARG  27           HB2      ARG  27  -6.164   0.033   3.016
  246    HB3  ARG  27           HB3      ARG  27  -6.699   0.011   4.653
  247    HG2  ARG  27           HG2      ARG  27  -8.222   0.174   2.081
  248    HG3  ARG  27           HG3      ARG  27  -8.469  -0.862   3.469
  249    HD2  ARG  27           HD2      ARG  27  -9.639   0.761   4.644
  250    HD3  ARG  27           HD3      ARG  27  -8.928   2.077   3.713
  251    HE   ARG  27           HE       ARG  27 -11.268   0.548   3.053
  252   HH11  ARG  27          HH11      ARG  27  -8.697   2.547   1.758
  253   HH12  ARG  27          HH12      ARG  27  -9.597   3.004   0.352
  254   HH21  ARG  27          HH21      ARG  27 -12.445   1.155   1.198
  255   HH22  ARG  27          HH22      ARG  27 -11.723   2.215   0.034
  256    H    TRP  28           H        TRP  28  -8.313   2.143   5.411
  257    HA   TRP  28           HA       TRP  28  -6.668   3.291   7.549
  258    HB2  TRP  28           HB2      TRP  28  -8.729   4.484   7.054
  259    HB3  TRP  28           HB3      TRP  28  -9.673   3.030   7.293
  260    HD1  TRP  28           HD1      TRP  28 -11.040   3.510   9.368
  261    HE1  TRP  28           HE1      TRP  28 -10.565   4.296  11.757
  262    HE3  TRP  28           HE3      TRP  28  -6.085   4.607   8.866
  263    HZ2  TRP  28           HZ2      TRP  28  -8.367   5.269  13.248
  264    HZ3  TRP  28           HZ3      TRP  28  -4.865   5.469  10.821
  265    HH2  TRP  28           HH2      TRP  28  -5.984   5.793  12.966
  266    H    ASP  29           H        ASP  29  -5.659   1.716   8.598
  267    HA   ASP  29           HA       ASP  29  -7.240  -0.217  10.055
  268    HB2  ASP  29           HB2      ASP  29  -5.980  -0.932   7.583
  269    HB3  ASP  29           HB3      ASP  29  -5.185  -1.797   8.900
  Start of MODEL   17
    1    H1   ARG   1           H1       ARG   1  -4.255   2.995  11.921
    2    H2   ARG   1           H2       ARG   1  -5.107   4.312  11.230
    3    H3   ARG   1           H3       ARG   1  -4.198   4.536  12.667
    4    HA   ARG   1           HA       ARG   1  -2.828   5.417  11.122
    5    HB2  ARG   1           HB2      ARG   1  -2.278   2.603  11.863
    6    HB3  ARG   1           HB3      ARG   1  -1.319   3.214  10.528
    7    HG2  ARG   1           HG2      ARG   1  -0.485   5.026  11.926
    8    HG3  ARG   1           HG3      ARG   1  -1.490   4.466  13.263
    9    HD2  ARG   1           HD2      ARG   1  -0.173   2.194  12.686
   10    HD3  ARG   1           HD3      ARG   1   1.038   3.381  12.203
   11    HE   ARG   1           HE       ARG   1  -0.083   3.894  14.794
   12   HH11  ARG   1          HH11      ARG   1   2.368   2.083  13.066
   13   HH12  ARG   1          HH12      ARG   1   3.395   1.919  14.450
   14   HH21  ARG   1          HH21      ARG   1   1.274   3.674  16.611
   15   HH22  ARG   1          HH22      ARG   1   2.774   2.821  16.463
   16    H    TRP   2           H        TRP   2  -1.609   5.120   9.033
   17    HA   TRP   2           HA       TRP   2  -3.495   4.211   6.964
   18    HB2  TRP   2           HB2      TRP   2  -1.475   6.427   6.996
   19    HB3  TRP   2           HB3      TRP   2  -2.227   5.884   5.538
   20    HD1  TRP   2           HD1      TRP   2  -2.594   8.404   8.062
   21    HE1  TRP   2           HE1      TRP   2  -4.957   9.446   8.030
   22    HE3  TRP   2           HE3      TRP   2  -4.883   4.946   5.191
   23    HZ2  TRP   2           HZ2      TRP   2  -7.489   8.836   6.894
   24    HZ3  TRP   2           HZ3      TRP   2  -7.280   5.210   4.647
   25    HH2  TRP   2           HH2      TRP   2  -8.553   7.121   5.487
   26    H    PHE   3           H        PHE   3  -2.666   3.288   5.039
   27    HA   PHE   3           HA       PHE   3   0.079   2.675   4.715
   28    HB2  PHE   3           HB2      PHE   3  -0.052   0.210   4.882
   29    HB3  PHE   3           HB3      PHE   3  -0.270   1.022   6.386
   30    HD1  PHE   3           HD1      PHE   3  -2.999   1.470   6.807
   31    HD2  PHE   3           HD2      PHE   3  -1.192  -1.637   4.525
   32    HE1  PHE   3           HE1      PHE   3  -5.007   0.071   7.100
   33    HE2  PHE   3           HE2      PHE   3  -3.179  -3.036   4.821
   34    HZ   PHE   3           HZ       PHE   3  -5.101  -2.180   6.113
   35    H    TYR   4           H        TYR   4   0.011   0.584   2.922
   36    HA   TYR   4           HA       TYR   4  -1.830   1.482   0.859
   37    HB2  TYR   4           HB2      TYR   4   1.056   0.768   0.398
   38    HB3  TYR   4           HB3      TYR   4  -0.028   1.698  -0.576
   39    HD1  TYR   4           HD2      TYR   4   1.816   1.760   2.621
   40    HD2  TYR   4           HD1      TYR   4  -0.093   4.045  -0.419
   41    HE1  TYR   4           HE2      TYR   4   2.677   3.769   3.632
   42    HE2  TYR   4           HE1      TYR   4   0.764   6.103   0.607
   43    HH   TYR   4           HH       TYR   4   1.633   6.552   3.411
   44    H    PHE   5           H        PHE   5  -2.669  -0.118  -0.395
   45    HA   PHE   5           HA       PHE   5  -1.576  -2.817  -0.005
   46    HB2  PHE   5           HB2      PHE   5  -3.783  -2.522   1.073
   47    HB3  PHE   5           HB3      PHE   5  -4.481  -2.127  -0.473
   48    HD1  PHE   5           HD1      PHE   5  -2.180  -4.822   0.744
   49    HD2  PHE   5           HD2      PHE   5  -5.727  -3.813  -1.375
   50    HE1  PHE   5           HE1      PHE   5  -2.531  -7.187   0.193
   51    HE2  PHE   5           HE2      PHE   5  -6.080  -6.166  -1.922
   52    HZ   PHE   5           HZ       PHE   5  -4.481  -7.842  -1.147
   53    H    ASN   6           H        ASN   6  -0.935  -3.822  -1.805
   54    HA   ASN   6           HA       ASN   6  -1.833  -2.685  -4.360
   55    HB2  ASN   6           HB2      ASN   6   0.637  -2.765  -4.005
   56    HB3  ASN   6           HB3      ASN   6   0.546  -4.478  -3.712
   57   HD21  ASN   6          HD21      ASN   6  -0.736  -2.195  -6.149
   58   HD22  ASN   6          HD22      ASN   6  -0.282  -3.120  -7.529
   59    H    ARG   7           H        ARG   7  -3.488  -3.689  -5.172
   60    HA   ARG   7           HA       ARG   7  -4.345  -6.266  -4.379
   61    HB2  ARG   7           HB2      ARG   7  -6.251  -5.847  -5.621
   62    HB3  ARG   7           HB3      ARG   7  -5.682  -4.243  -5.182
   63    HG2  ARG   7           HG2      ARG   7  -4.901  -3.783  -7.278
   64    HG3  ARG   7           HG3      ARG   7  -4.878  -5.467  -7.762
   65    HD2  ARG   7           HD2      ARG   7  -7.366  -5.508  -7.674
   66    HD3  ARG   7           HD3      ARG   7  -7.346  -3.772  -7.291
   67    HE   ARG   7           HE       ARG   7  -5.880  -4.371  -9.724
   68   HH11  ARG   7          HH11      ARG   7  -9.108  -3.856  -8.422
   69   HH12  ARG   7          HH12      ARG   7  -9.762  -3.326  -9.935
   70   HH21  ARG   7          HH21      ARG   7  -6.760  -3.672 -11.700
   71   HH22  ARG   7          HH22      ARG   7  -8.430  -3.221 -11.796
   72    H    ILE   8           H        ILE   8  -2.331  -5.160  -6.958
   73    HA   ILE   8           HA       ILE   8  -2.759  -7.361  -8.731
   74    HB   ILE   8           HB       ILE   8  -0.461  -5.389  -8.547
   75   HG12  ILE   8          HG12      ILE   8  -2.992  -4.783  -9.351
   76   HG13  ILE   8          HG13      ILE   8  -1.550  -3.982  -9.942
   77   HG21  ILE   8          HG21      ILE   8  -1.010  -7.408 -10.715
   78   HG22  ILE   8          HG22      ILE   8   0.355  -7.393  -9.598
   79   HG23  ILE   8          HG23      ILE   8   0.188  -6.117 -10.803
   80   HD11  ILE   8          HD11      ILE   8  -2.144  -4.520 -11.990
   81   HD12  ILE   8          HD12      ILE   8  -3.506  -5.462 -11.389
   82   HD13  ILE   8          HD13      ILE   8  -1.930  -6.224 -11.597
   83    H    THR   9           H        THR   9  -0.158  -6.603  -6.411
   84    HA   THR   9           HA       THR   9   0.846  -9.328  -6.701
   85    HB   THR   9           HB       THR   9   2.853  -8.587  -5.656
   86    HG1  THR   9           HG1      THR   9   2.998  -6.401  -4.890
   87   HG21  THR   9          HG21      THR   9   3.644  -6.994  -7.167
   88   HG22  THR   9          HG22      THR   9   2.047  -6.261  -7.346
   89   HG23  THR   9          HG23      THR   9   2.365  -7.857  -8.027
   90    H    GLY  10           H        GLY  10  -0.903  -7.381  -4.598
   91    HA2  GLY  10           HA2      GLY  10  -2.161  -7.966  -2.735
   92    HA3  GLY  10           HA3      GLY  10  -1.388  -9.521  -2.785
   93    H    LYS  11           H        LYS  11   0.794  -6.853  -2.822
   94    HA   LYS  11           HA       LYS  11   1.651  -7.490  -0.146
   95    HB2  LYS  11           HB2      LYS  11   2.846  -5.925  -2.429
   96    HB3  LYS  11           HB3      LYS  11   3.624  -6.087  -0.866
   97    HG2  LYS  11           HG2      LYS  11   2.824  -8.489  -2.452
   98    HG3  LYS  11           HG3      LYS  11   4.324  -7.629  -2.804
   99    HD2  LYS  11           HD2      LYS  11   3.849  -8.249   0.020
  100    HD3  LYS  11           HD3      LYS  11   4.104  -9.648  -1.018
  101    HE2  LYS  11           HE2      LYS  11   5.958  -7.329  -1.261
  102    HE3  LYS  11           HE3      LYS  11   6.125  -8.393   0.134
  103    HZ1  LYS  11           HZ1      LYS  11   7.544  -9.103  -1.680
  104    HZ2  LYS  11           HZ2      LYS  11   6.211  -9.240  -2.713
  105    HZ3  LYS  11           HZ3      LYS  11   6.356 -10.271  -1.379
  106    H    ARG  12           H        ARG  12   2.196  -5.689   1.332
  107    HA   ARG  12           HA       ARG  12   1.029  -3.149   0.976
  108    HB2  ARG  12           HB2      ARG  12  -0.812  -3.456   2.388
  109    HB3  ARG  12           HB3      ARG  12  -0.806  -4.902   1.425
  110    HG2  ARG  12           HG2      ARG  12   0.262  -4.642   4.217
  111    HG3  ARG  12           HG3      ARG  12  -1.287  -5.322   3.776
  112    HD2  ARG  12           HD2      ARG  12   1.384  -6.410   2.875
  113    HD3  ARG  12           HD3      ARG  12   0.449  -7.018   4.235
  114    HE   ARG  12           HE       ARG  12  -0.711  -7.077   1.496
  115   HH11  ARG  12          HH11      ARG  12   0.259  -8.747   4.445
  116   HH12  ARG  12          HH12      ARG  12  -0.555 -10.210   4.014
  117   HH21  ARG  12          HH21      ARG  12  -1.771  -9.009   0.966
  118   HH22  ARG  12          HH22      ARG  12  -1.699 -10.363   2.044
  119    H    GLN  13           H        GLN  13   1.755  -1.694   2.607
  120    HA   GLN  13           HA       GLN  13   2.826  -2.570   5.095
  121    HB2  GLN  13           HB2      GLN  13   4.937  -1.094   4.236
  122    HB3  GLN  13           HB3      GLN  13   4.926  -2.821   4.495
  123    HG2  GLN  13           HG2      GLN  13   5.880  -2.457   2.461
  124    HG3  GLN  13           HG3      GLN  13   4.252  -2.995   2.110
  125   HE21  GLN  13          HE21      GLN  13   6.136  -1.130   0.475
  126   HE22  GLN  13          HE22      GLN  13   5.144   0.247   0.213
  127    H    PHE  14           H        PHE  14   4.225  -0.646   5.934
  128    HA   PHE  14           HA       PHE  14   2.379   1.634   6.002
  129    HB2  PHE  14           HB2      PHE  14   3.779   0.423   8.051
  130    HB3  PHE  14           HB3      PHE  14   4.767   1.833   7.688
  131    HD1  PHE  14           HD2      PHE  14   1.436   0.691   8.705
  132    HD2  PHE  14           HD1      PHE  14   4.008   4.028   8.221
  133    HE1  PHE  14           HE2      PHE  14  -0.149   2.072   9.922
  134    HE2  PHE  14           HE1      PHE  14   2.429   5.434   9.441
  135    HZ   PHE  14           HZ       PHE  14   0.343   4.457  10.299
  136    H    GLU  15           H        GLU  15   5.135   0.681   4.356
  137    HA   GLU  15           HA       GLU  15   6.263   3.335   4.143
  138    HB2  GLU  15           HB2      GLU  15   7.217   0.767   3.953
  139    HB3  GLU  15           HB3      GLU  15   7.246   1.347   2.341
  140    HG2  GLU  15           HG2      GLU  15   8.243   3.339   4.079
  141    HG3  GLU  15           HG3      GLU  15   9.041   1.813   4.434
  142    H    ARG  16           H        ARG  16   7.021   3.708   1.933
  143    HA   ARG  16           HA       ARG  16   4.984   4.540   0.242
  144    HB2  ARG  16           HB2      ARG  16   7.192   5.481   0.119
  145    HB3  ARG  16           HB3      ARG  16   7.916   3.911  -0.158
  146    HG2  ARG  16           HG2      ARG  16   6.651   3.815  -2.288
  147    HG3  ARG  16           HG3      ARG  16   6.260   5.519  -2.064
  148    HD2  ARG  16           HD2      ARG  16   9.098   4.584  -1.896
  149    HD3  ARG  16           HD3      ARG  16   8.351   4.837  -3.470
  150    HE   ARG  16           HE       ARG  16   7.887   7.115  -1.927
  151   HH11  ARG  16          HH11      ARG  16  10.595   5.436  -3.378
  152   HH12  ARG  16          HH12      ARG  16  11.546   6.871  -3.557
  153   HH21  ARG  16          HH21      ARG  16   9.144   9.001  -2.160
  154   HH22  ARG  16          HH22      ARG  16  10.722   8.897  -2.865
  155    HA   PRO  17           HA       PRO  17   3.252   0.920  -1.562
  156    HB2  PRO  17           HB2      PRO  17   4.052   1.622  -4.265
  157    HB3  PRO  17           HB3      PRO  17   2.441   1.560  -3.565
  158    HG2  PRO  17           HG2      PRO  17   4.174   3.862  -3.968
  159    HG3  PRO  17           HG3      PRO  17   2.454   3.815  -3.572
  160    HD2  PRO  17           HD2      PRO  17   4.354   4.659  -1.830
  161    HD3  PRO  17           HD3      PRO  17   2.876   3.866  -1.337
  162    H    LYS  18           H        LYS  18   4.000  -1.064  -1.755
  163    HA   LYS  18           HA       LYS  18   6.791  -1.600  -1.797
  164    HB2  LYS  18           HB2      LYS  18   4.588  -3.134  -1.051
  165    HB3  LYS  18           HB3      LYS  18   5.100  -3.903  -2.542
  166    HG2  LYS  18           HG2      LYS  18   6.467  -3.710   0.080
  167    HG3  LYS  18           HG3      LYS  18   6.291  -5.086  -1.008
  168    HD2  LYS  18           HD2      LYS  18   7.864  -3.858  -2.583
  169    HD3  LYS  18           HD3      LYS  18   8.197  -2.767  -1.236
  170    HE2  LYS  18           HE2      LYS  18   8.450  -5.737  -0.919
  171    HE3  LYS  18           HE3      LYS  18   9.759  -4.785  -1.617
  172    HZ1  LYS  18           HZ1      LYS  18  10.070  -5.070   0.750
  173    HZ2  LYS  18           HZ2      LYS  18   8.558  -4.383   1.071
  174    HZ3  LYS  18           HZ3      LYS  18   9.792  -3.439   0.400
  175    H    GLY  19           H        GLY  19   6.722  -0.138  -3.741
  176    HA2  GLY  19           HA2      GLY  19   7.979  -0.899  -5.861
  177    HA3  GLY  19           HA3      GLY  19   6.400  -1.542  -6.270
  178    H    LEU  20           H        LEU  20   5.684   1.364  -4.596
  179    HA   LEU  20           HA       LEU  20   4.840   3.323  -5.448
  180    HB2  LEU  20           HB2      LEU  20   7.600   3.073  -6.070
  181    HB3  LEU  20           HB3      LEU  20   6.851   3.909  -7.406
  182    HG   LEU  20           HG       LEU  20   6.657   4.851  -4.531
  183   HD11  LEU  20          HD11      LEU  20   8.548   5.782  -6.683
  184   HD12  LEU  20          HD12      LEU  20   8.993   4.773  -5.306
  185   HD13  LEU  20          HD13      LEU  20   8.411   6.417  -5.043
  186   HD21  LEU  20          HD21      LEU  20   5.494   5.725  -7.056
  187   HD22  LEU  20          HD22      LEU  20   6.457   6.989  -6.296
  188   HD23  LEU  20          HD23      LEU  20   5.130   6.247  -5.408
  189    H    VAL  21           H        VAL  21   3.552   1.408  -6.534
  190    HA   VAL  21           HA       VAL  21   3.241   2.036  -9.323
  191    HB   VAL  21           HB       VAL  21   2.282  -0.624  -8.599
  192   HG11  VAL  21          HG11      VAL  21   4.009  -0.648 -10.829
  193   HG12  VAL  21          HG12      VAL  21   3.063   0.834 -10.959
  194   HG13  VAL  21          HG13      VAL  21   2.246  -0.724 -10.833
  195   HG21  VAL  21          HG21      VAL  21   4.248  -1.620  -8.305
  196   HG22  VAL  21          HG22      VAL  21   4.584  -0.073  -7.545
  197   HG23  VAL  21          HG23      VAL  21   5.137  -0.380  -9.178
  198    H    LYS  22           H        LYS  22   1.224   0.753 -10.027
  199    HA   LYS  22           HA       LYS  22  -1.050   2.180  -8.912
  200    HB2  LYS  22           HB2      LYS  22  -0.581   0.696 -11.496
  201    HB3  LYS  22           HB3      LYS  22  -2.207   1.097 -10.969
  202    HG2  LYS  22           HG2      LYS  22  -1.988   3.089 -11.893
  203    HG3  LYS  22           HG3      LYS  22  -0.695   3.460 -10.753
  204    HD2  LYS  22           HD2      LYS  22   0.474   1.835 -12.713
  205    HD3  LYS  22           HD3      LYS  22  -0.555   2.968 -13.591
  206    HE2  LYS  22           HE2      LYS  22   1.589   3.978 -13.393
  207    HE3  LYS  22           HE3      LYS  22   0.514   4.815 -12.275
  208    HZ1  LYS  22           HZ1      LYS  22   2.272   2.592 -11.413
  209    HZ2  LYS  22           HZ2      LYS  22   1.477   3.729 -10.446
  210    HZ3  LYS  22           HZ3      LYS  22   2.785   4.204 -11.407
  211    H    GLY  23           H        GLY  23  -3.161   0.694  -8.951
  212    HA2  GLY  23           HA2      GLY  23  -4.130  -1.474  -8.294
  213    HA3  GLY  23           HA3      GLY  23  -2.495  -2.069  -8.083
  214    H    TRP  24           H        TRP  24  -1.505   0.077  -6.568
  215    HA   TRP  24           HA       TRP  24  -1.911  -0.674  -3.979
  216    HB2  TRP  24           HB2      TRP  24  -0.806   1.789  -5.321
  217    HB3  TRP  24           HB3      TRP  24  -0.714   1.551  -3.596
  218    HD1  TRP  24           HD1      TRP  24   1.127   0.732  -6.701
  219    HE1  TRP  24           HE1      TRP  24   2.998  -0.896  -6.192
  220    HE3  TRP  24           HE3      TRP  24  -0.265  -0.647  -1.997
  221    HZ2  TRP  24           HZ2      TRP  24   3.771  -2.640  -4.138
  222    HZ3  TRP  24           HZ3      TRP  24   1.058  -2.410  -0.896
  223    HH2  TRP  24           HH2      TRP  24   3.048  -3.310  -1.899
  224    H    GLU  25           H        GLU  25  -3.191   0.095  -2.276
  225    HA   GLU  25           HA       GLU  25  -4.921   2.400  -2.823
  226    HB2  GLU  25           HB2      GLU  25  -5.890  -0.290  -2.918
  227    HB3  GLU  25           HB3      GLU  25  -6.537   0.475  -1.474
  228    HG2  GLU  25           HG2      GLU  25  -7.945   1.730  -2.644
  229    HG3  GLU  25           HG3      GLU  25  -6.704   2.188  -3.809
  230    H    LYS  26           H        LYS  26  -4.373   3.729  -1.238
  231    HA   LYS  26           HA       LYS  26  -3.319   2.881   1.234
  232    HB2  LYS  26           HB2      LYS  26  -2.807   5.224   0.522
  233    HB3  LYS  26           HB3      LYS  26  -4.511   5.555   0.303
  234    HG2  LYS  26           HG2      LYS  26  -4.865   5.533   2.736
  235    HG3  LYS  26           HG3      LYS  26  -3.138   5.218   2.972
  236    HD2  LYS  26           HD2      LYS  26  -2.964   7.447   3.096
  237    HD3  LYS  26           HD3      LYS  26  -3.074   7.381   1.329
  238    HE2  LYS  26           HE2      LYS  26  -5.505   7.718   1.430
  239    HE3  LYS  26           HE3      LYS  26  -5.425   7.725   3.198
  240    HZ1  LYS  26           HZ1      LYS  26  -4.111   9.723   3.132
  241    HZ2  LYS  26           HZ2      LYS  26  -5.529   9.964   2.243
  242    HZ3  LYS  26           HZ3      LYS  26  -4.065   9.696   1.441
  243    H    ARG  27           H        ARG  27  -4.267   2.315   3.118
  244    HA   ARG  27           HA       ARG  27  -7.157   2.798   3.406
  245    HB2  ARG  27           HB2      ARG  27  -6.099   0.341   2.718
  246    HB3  ARG  27           HB3      ARG  27  -6.310   0.117   4.411
  247    HG2  ARG  27           HG2      ARG  27  -8.629  -0.020   4.160
  248    HG3  ARG  27           HG3      ARG  27  -8.663   1.068   2.774
  249    HD2  ARG  27           HD2      ARG  27  -9.040  -0.847   1.673
  250    HD3  ARG  27           HD3      ARG  27  -7.281  -0.937   1.694
  251    HE   ARG  27           HE       ARG  27  -9.140  -2.505   3.310
  252   HH11  ARG  27          HH11      ARG  27  -5.812  -1.738   2.510
  253   HH12  ARG  27          HH12      ARG  27  -5.181  -3.167   3.254
  254   HH21  ARG  27          HH21      ARG  27  -8.295  -4.380   4.286
  255   HH22  ARG  27          HH22      ARG  27  -6.587  -4.664   4.262
  256    H    TRP  28           H        TRP  28  -7.945   2.234   5.515
  257    HA   TRP  28           HA       TRP  28  -6.318   3.468   7.563
  258    HB2  TRP  28           HB2      TRP  28  -8.792   3.954   7.157
  259    HB3  TRP  28           HB3      TRP  28  -9.119   2.390   7.876
  260    HD1  TRP  28           HD1      TRP  28 -10.049   2.833  10.160
  261    HE1  TRP  28           HE1      TRP  28  -9.439   4.290  12.175
  262    HE3  TRP  28           HE3      TRP  28  -6.147   5.399   8.118
  263    HZ2  TRP  28           HZ2      TRP  28  -7.543   6.288  12.821
  264    HZ3  TRP  28           HZ3      TRP  28  -4.987   7.073   9.498
  265    HH2  TRP  28           HH2      TRP  28  -5.672   7.509  11.800
  266    H    ASP  29           H        ASP  29  -5.780   2.570   9.555
  267    HA   ASP  29           HA       ASP  29  -5.908  -0.376   9.699
  268    HB2  ASP  29           HB2      ASP  29  -3.598   0.728   9.375
  269    HB3  ASP  29           HB3      ASP  29  -3.750   1.257  11.034
  Start of MODEL   18
    1    H1   ARG   1           H1       ARG   1  -4.099   3.052  13.376
    2    H2   ARG   1           H2       ARG   1  -5.128   2.820  12.022
    3    H3   ARG   1           H3       ARG   1  -4.718   4.407  12.530
    4    HA   ARG   1           HA       ARG   1  -2.625   4.305  11.738
    5    HB2  ARG   1           HB2      ARG   1  -2.522   1.850  12.883
    6    HB3  ARG   1           HB3      ARG   1  -2.722   1.344  11.217
    7    HG2  ARG   1           HG2      ARG   1  -0.506   3.197  12.080
    8    HG3  ARG   1           HG3      ARG   1  -0.365   1.445  12.081
    9    HD2  ARG   1           HD2      ARG   1  -1.429   2.277   9.575
   10    HD3  ARG   1           HD3      ARG   1   0.010   3.227   9.929
   11    HE   ARG   1           HE       ARG   1   1.294   1.270   9.893
   12   HH11  ARG   1          HH11      ARG   1  -2.089   0.585   9.274
   13   HH12  ARG   1          HH12      ARG   1  -1.775  -0.987   8.625
   14   HH21  ARG   1          HH21      ARG   1   1.693  -0.802   9.033
   15   HH22  ARG   1          HH22      ARG   1   0.368  -1.775   8.487
   16    H    TRP   2           H        TRP   2  -2.001   4.463   9.619
   17    HA   TRP   2           HA       TRP   2  -4.027   3.720   7.613
   18    HB2  TRP   2           HB2      TRP   2  -2.194   6.085   7.838
   19    HB3  TRP   2           HB3      TRP   2  -2.920   5.657   6.331
   20    HD1  TRP   2           HD1      TRP   2  -3.504   7.687   9.263
   21    HE1  TRP   2           HE1      TRP   2  -5.944   8.534   9.339
   22    HE3  TRP   2           HE3      TRP   2  -5.430   4.666   5.718
   23    HZ2  TRP   2           HZ2      TRP   2  -8.392   7.953   8.011
   24    HZ3  TRP   2           HZ3      TRP   2  -7.828   4.839   5.142
   25    HH2  TRP   2           HH2      TRP   2  -9.275   6.454   6.271
   26    H    PHE   3           H        PHE   3  -3.204   3.146   5.479
   27    HA   PHE   3           HA       PHE   3  -0.492   2.830   4.904
   28    HB2  PHE   3           HB2      PHE   3  -0.060   0.531   5.174
   29    HB3  PHE   3           HB3      PHE   3  -0.643   1.176   6.673
   30    HD1  PHE   3           HD2      PHE   3  -3.410   0.980   6.775
   31    HD2  PHE   3           HD1      PHE   3  -0.706  -1.527   4.654
   32    HE1  PHE   3           HE2      PHE   3  -5.111  -0.804   6.733
   33    HE2  PHE   3           HE1      PHE   3  -2.406  -3.315   4.603
   34    HZ   PHE   3           HZ       PHE   3  -4.607  -2.953   5.647
   35    H    TYR   4           H        TYR   4  -0.050   1.365   3.078
   36    HA   TYR   4           HA       TYR   4  -2.206   1.714   1.174
   37    HB2  TYR   4           HB2      TYR   4   0.611   1.294   0.352
   38    HB3  TYR   4           HB3      TYR   4  -0.589   2.409  -0.210
   39    HD1  TYR   4           HD1      TYR   4  -0.993   3.476   2.872
   40    HD2  TYR   4           HD2      TYR   4   2.257   3.055   0.161
   41    HE1  TYR   4           HE1      TYR   4   0.129   5.237   4.014
   42    HE2  TYR   4           HE2      TYR   4   3.426   4.857   1.332
   43    HH   TYR   4           HH       TYR   4   3.030   5.831   4.125
   44    H    PHE   5           H        PHE   5  -2.879   0.150  -0.153
   45    HA   PHE   5           HA       PHE   5  -1.796  -2.555   0.247
   46    HB2  PHE   5           HB2      PHE   5  -4.039  -2.181   1.202
   47    HB3  PHE   5           HB3      PHE   5  -4.639  -1.771  -0.378
   48    HD1  PHE   5           HD1      PHE   5  -2.503  -4.571   0.920
   49    HD2  PHE   5           HD2      PHE   5  -5.959  -3.385  -1.258
   50    HE1  PHE   5           HE1      PHE   5  -2.972  -6.915   0.387
   51    HE2  PHE   5           HE2      PHE   5  -6.436  -5.725  -1.785
   52    HZ   PHE   5           HZ       PHE   5  -4.944  -7.478  -0.968
   53    H    ASN   6           H        ASN   6  -1.121  -3.634  -1.519
   54    HA   ASN   6           HA       ASN   6  -1.801  -2.459  -4.123
   55    HB2  ASN   6           HB2      ASN   6   0.641  -2.717  -3.675
   56    HB3  ASN   6           HB3      ASN   6   0.409  -4.412  -3.344
   57   HD21  ASN   6          HD21      ASN   6  -0.598  -2.109  -5.887
   58   HD22  ASN   6          HD22      ASN   6  -0.170  -3.110  -7.221
   59    H    ARG   7           H        ARG   7  -3.586  -3.313  -4.850
   60    HA   ARG   7           HA       ARG   7  -4.592  -5.856  -4.156
   61    HB2  ARG   7           HB2      ARG   7  -6.469  -5.278  -5.381
   62    HB3  ARG   7           HB3      ARG   7  -5.797  -3.733  -4.881
   63    HG2  ARG   7           HG2      ARG   7  -4.991  -3.238  -6.959
   64    HG3  ARG   7           HG3      ARG   7  -5.074  -4.900  -7.510
   65    HD2  ARG   7           HD2      ARG   7  -7.558  -4.790  -7.422
   66    HD3  ARG   7           HD3      ARG   7  -7.434  -3.078  -6.960
   67    HE   ARG   7           HE       ARG   7  -6.006  -3.651  -9.423
   68   HH11  ARG   7          HH11      ARG   7  -9.196  -2.999  -8.087
   69   HH12  ARG   7          HH12      ARG   7  -9.820  -2.369  -9.574
   70   HH21  ARG   7          HH21      ARG   7  -6.847  -2.819 -11.364
   71   HH22  ARG   7          HH22      ARG   7  -8.487  -2.268 -11.435
   72    H    ILE   8           H        ILE   8  -2.500  -4.830  -6.695
   73    HA   ILE   8           HA       ILE   8  -3.096  -6.907  -8.558
   74    HB   ILE   8           HB       ILE   8  -0.627  -5.173  -8.253
   75   HG12  ILE   8          HG12      ILE   8  -3.064  -4.305  -9.094
   76   HG13  ILE   8          HG13      ILE   8  -1.540  -3.632  -9.635
   77   HG21  ILE   8          HG21      ILE   8   0.003  -7.235  -9.351
   78   HG22  ILE   8          HG22      ILE   8   0.046  -5.890 -10.489
   79   HG23  ILE   8          HG23      ILE   8  -1.297  -7.032 -10.526
   80   HD11  ILE   8          HD11      ILE   8  -2.142  -4.053 -11.708
   81   HD12  ILE   8          HD12      ILE   8  -3.596  -4.884 -11.161
   82   HD13  ILE   8          HD13      ILE   8  -2.091  -5.780 -11.363
   83    H    THR   9           H        THR   9  -0.498  -6.520  -6.148
   84    HA   THR   9           HA       THR   9   0.208  -9.332  -6.529
   85    HB   THR   9           HB       THR   9   2.282  -8.856  -5.478
   86    HG1  THR   9           HG1      THR   9   2.697  -6.824  -4.549
   87   HG21  THR   9          HG21      THR   9   1.736  -6.395  -7.079
   88   HG22  THR   9          HG22      THR   9   1.890  -7.991  -7.815
   89   HG23  THR   9          HG23      THR   9   3.248  -7.295  -6.925
   90    H    GLY  10           H        GLY  10  -1.340  -7.271  -4.385
   91    HA2  GLY  10           HA2      GLY  10  -2.673  -7.801  -2.551
   92    HA3  GLY  10           HA3      GLY  10  -1.979  -9.393  -2.584
   93    H    LYS  11           H        LYS  11   0.294  -6.790  -2.640
   94    HA   LYS  11           HA       LYS  11   1.158  -7.448   0.051
   95    HB2  LYS  11           HB2      LYS  11   2.420  -5.916  -2.211
   96    HB3  LYS  11           HB3      LYS  11   3.176  -6.194  -0.655
   97    HG2  LYS  11           HG2      LYS  11   2.246  -8.462  -2.362
   98    HG3  LYS  11           HG3      LYS  11   3.809  -7.697  -2.630
   99    HD2  LYS  11           HD2      LYS  11   2.855  -9.126  -0.158
  100    HD3  LYS  11           HD3      LYS  11   4.162  -9.601  -1.238
  101    HE2  LYS  11           HE2      LYS  11   5.532  -8.574   0.191
  102    HE3  LYS  11           HE3      LYS  11   4.892  -7.062  -0.449
  103    HZ1  LYS  11           HZ1      LYS  11   4.160  -8.472   2.037
  104    HZ2  LYS  11           HZ2      LYS  11   3.084  -7.379   1.325
  105    HZ3  LYS  11           HZ3      LYS  11   4.612  -6.855   1.825
  106    H    ARG  12           H        ARG  12   2.185  -5.384   1.130
  107    HA   ARG  12           HA       ARG  12   0.651  -3.010   0.857
  108    HB2  ARG  12           HB2      ARG  12  -0.467  -3.187   2.971
  109    HB3  ARG  12           HB3      ARG  12  -0.884  -4.567   2.003
  110    HG2  ARG  12           HG2      ARG  12   0.000  -5.994   3.480
  111    HG3  ARG  12           HG3      ARG  12   1.378  -4.963   3.827
  112    HD2  ARG  12           HD2      ARG  12   0.381  -4.722   5.816
  113    HD3  ARG  12           HD3      ARG  12  -0.592  -3.529   4.962
  114    HE   ARG  12           HE       ARG  12  -1.856  -5.976   4.634
  115   HH11  ARG  12          HH11      ARG  12  -1.019  -3.849   7.288
  116   HH12  ARG  12          HH12      ARG  12  -2.354  -4.349   8.271
  117   HH21  ARG  12          HH21      ARG  12  -3.613  -6.629   5.933
  118   HH22  ARG  12          HH22      ARG  12  -3.826  -5.927   7.502
  119    H    GLN  13           H        GLN  13   1.618  -1.266   1.820
  120    HA   GLN  13           HA       GLN  13   3.688  -1.654   3.812
  121    HB2  GLN  13           HB2      GLN  13   4.080  -1.123   1.048
  122    HB3  GLN  13           HB3      GLN  13   4.652   0.246   1.992
  123    HG2  GLN  13           HG2      GLN  13   5.550  -1.991   3.349
  124    HG3  GLN  13           HG3      GLN  13   5.713  -2.333   1.659
  125   HE21  GLN  13          HE21      GLN  13   6.221   0.343   0.771
  126   HE22  GLN  13          HE22      GLN  13   7.811   0.742   1.333
  127    H    PHE  14           H        PHE  14   4.363   0.162   4.906
  128    HA   PHE  14           HA       PHE  14   2.444   2.339   5.108
  129    HB2  PHE  14           HB2      PHE  14   3.579   1.111   7.138
  130    HB3  PHE  14           HB3      PHE  14   5.021   2.017   6.684
  131    HD1  PHE  14           HD2      PHE  14   1.417   2.614   7.275
  132    HD2  PHE  14           HD1      PHE  14   5.388   4.005   7.745
  133    HE1  PHE  14           HE2      PHE  14   0.579   4.546   8.529
  134    HE2  PHE  14           HE1      PHE  14   4.571   5.947   9.009
  135    HZ   PHE  14           HZ       PHE  14   2.161   6.212   9.400
  136    H    GLU  15           H        GLU  15   5.698   1.588   3.931
  137    HA   GLU  15           HA       GLU  15   6.334   4.357   3.347
  138    HB2  GLU  15           HB2      GLU  15   7.741   2.214   4.231
  139    HB3  GLU  15           HB3      GLU  15   8.145   2.235   2.551
  140    HG2  GLU  15           HG2      GLU  15   8.251   4.855   3.540
  141    HG3  GLU  15           HG3      GLU  15   9.085   3.811   4.679
  142    H    ARG  16           H        ARG  16   7.829   4.179   1.311
  143    HA   ARG  16           HA       ARG  16   6.413   4.515  -0.951
  144    HB2  ARG  16           HB2      ARG  16   8.748   5.024  -0.870
  145    HB3  ARG  16           HB3      ARG  16   9.171   3.357  -0.525
  146    HG2  ARG  16           HG2      ARG  16   8.017   2.930  -2.805
  147    HG3  ARG  16           HG3      ARG  16   8.430   4.616  -3.102
  148    HD2  ARG  16           HD2      ARG  16  10.561   4.080  -3.480
  149    HD3  ARG  16           HD3      ARG  16  10.662   3.210  -1.950
  150    HE   ARG  16           HE       ARG  16  10.251   2.087  -4.572
  151   HH11  ARG  16          HH11      ARG  16   9.900   1.555  -1.127
  152   HH12  ARG  16          HH12      ARG  16   9.865  -0.168  -1.274
  153   HH21  ARG  16          HH21      ARG  16  10.199  -0.185  -4.757
  154   HH22  ARG  16          HH22      ARG  16  10.033  -1.157  -3.333
  155    HA   PRO  17           HA       PRO  17   4.213   0.686  -1.522
  156    HB2  PRO  17           HB2      PRO  17   4.775   1.335  -4.385
  157    HB3  PRO  17           HB3      PRO  17   3.280   0.786  -3.631
  158    HG2  PRO  17           HG2      PRO  17   3.668   3.361  -4.228
  159    HG3  PRO  17           HG3      PRO  17   2.783   2.864  -2.775
  160    HD2  PRO  17           HD2      PRO  17   5.479   4.044  -3.018
  161    HD3  PRO  17           HD3      PRO  17   4.383   4.022  -1.662
  162    H    LYS  18           H        LYS  18   4.601  -1.413  -2.016
  163    HA   LYS  18           HA       LYS  18   7.325  -2.253  -2.096
  164    HB2  LYS  18           HB2      LYS  18   4.949  -3.540  -1.392
  165    HB3  LYS  18           HB3      LYS  18   5.389  -4.325  -2.897
  166    HG2  LYS  18           HG2      LYS  18   6.757  -4.343  -0.259
  167    HG3  LYS  18           HG3      LYS  18   6.397  -5.673  -1.356
  168    HD2  LYS  18           HD2      LYS  18   8.443  -5.557  -2.212
  169    HD3  LYS  18           HD3      LYS  18   8.185  -3.873  -2.667
  170    HE2  LYS  18           HE2      LYS  18   8.910  -4.633   0.142
  171    HE3  LYS  18           HE3      LYS  18  10.148  -4.442  -1.098
  172    HZ1  LYS  18           HZ1      LYS  18   9.272  -2.176  -1.483
  173    HZ2  LYS  18           HZ2      LYS  18   9.906  -2.391   0.070
  174    HZ3  LYS  18           HZ3      LYS  18   8.231  -2.376  -0.163
  175    H    GLY  19           H        GLY  19   7.401  -0.712  -3.976
  176    HA2  GLY  19           HA2      GLY  19   8.539  -1.376  -6.141
  177    HA3  GLY  19           HA3      GLY  19   6.962  -2.030  -6.548
  178    H    LEU  20           H        LEU  20   6.416   0.860  -4.732
  179    HA   LEU  20           HA       LEU  20   5.492   2.840  -5.461
  180    HB2  LEU  20           HB2      LEU  20   8.197   2.577  -6.295
  181    HB3  LEU  20           HB3      LEU  20   7.362   3.479  -7.533
  182    HG   LEU  20           HG       LEU  20   7.368   4.312  -4.616
  183   HD11  LEU  20          HD11      LEU  20   9.180   5.312  -6.797
  184   HD12  LEU  20          HD12      LEU  20   9.662   4.169  -5.544
  185   HD13  LEU  20          HD13      LEU  20   9.162   5.801  -5.103
  186   HD21  LEU  20          HD21      LEU  20   7.162   6.515  -6.302
  187   HD22  LEU  20          HD22      LEU  20   5.857   5.791  -5.366
  188   HD23  LEU  20          HD23      LEU  20   6.115   5.307  -7.044
  189    H    VAL  21           H        VAL  21   4.034   1.064  -6.458
  190    HA   VAL  21           HA       VAL  21   3.648   1.595  -9.255
  191    HB   VAL  21           HB       VAL  21   2.503  -0.924  -8.318
  192   HG11  VAL  21          HG11      VAL  21   3.280   0.302 -10.806
  193   HG12  VAL  21          HG12      VAL  21   2.369  -1.184 -10.538
  194   HG13  VAL  21          HG13      VAL  21   4.130  -1.229 -10.606
  195   HG21  VAL  21          HG21      VAL  21   4.439  -2.081  -8.162
  196   HG22  VAL  21          HG22      VAL  21   4.816  -0.584  -7.329
  197   HG23  VAL  21          HG23      VAL  21   5.372  -0.831  -8.970
  198    H    LYS  22           H        LYS  22   1.513   0.444  -9.813
  199    HA   LYS  22           HA       LYS  22  -0.615   2.102  -8.711
  200    HB2  LYS  22           HB2      LYS  22  -0.366   0.498 -11.265
  201    HB3  LYS  22           HB3      LYS  22  -1.897   1.173 -10.728
  202    HG2  LYS  22           HG2      LYS  22  -1.389   3.160 -11.561
  203    HG3  LYS  22           HG3      LYS  22   0.149   3.192 -10.696
  204    HD2  LYS  22           HD2      LYS  22   0.492   1.358 -12.788
  205    HD3  LYS  22           HD3      LYS  22  -0.371   2.727 -13.491
  206    HE2  LYS  22           HE2      LYS  22   1.841   3.351 -13.754
  207    HE3  LYS  22           HE3      LYS  22   1.399   4.160 -12.251
  208    HZ1  LYS  22           HZ1      LYS  22   3.561   3.022 -12.142
  209    HZ2  LYS  22           HZ2      LYS  22   2.790   1.540 -12.405
  210    HZ3  LYS  22           HZ3      LYS  22   2.462   2.426 -11.002
  211    H    GLY  23           H        GLY  23  -2.835   0.800  -8.654
  212    HA2  GLY  23           HA2      GLY  23  -3.941  -1.306  -7.980
  213    HA3  GLY  23           HA3      GLY  23  -2.343  -1.992  -7.757
  214    H    TRP  24           H        TRP  24  -1.308   0.256  -6.347
  215    HA   TRP  24           HA       TRP  24  -1.734  -0.428  -3.708
  216    HB2  TRP  24           HB2      TRP  24  -0.437   1.885  -5.153
  217    HB3  TRP  24           HB3      TRP  24  -0.358   1.711  -3.421
  218    HD1  TRP  24           HD1      TRP  24   1.494   0.701  -6.457
  219    HE1  TRP  24           HE1      TRP  24   3.226  -1.035  -5.885
  220    HE3  TRP  24           HE3      TRP  24  -0.126  -0.542  -1.787
  221    HZ2  TRP  24           HZ2      TRP  24   3.853  -2.779  -3.788
  222    HZ3  TRP  24           HZ3      TRP  24   1.081  -2.339  -0.615
  223    HH2  TRP  24           HH2      TRP  24   3.046  -3.367  -1.556
  224    H    GLU  25           H        GLU  25  -3.157   0.349  -2.152
  225    HA   GLU  25           HA       GLU  25  -4.513   2.901  -2.626
  226    HB2  GLU  25           HB2      GLU  25  -5.920   0.249  -2.633
  227    HB3  GLU  25           HB3      GLU  25  -6.718   1.631  -1.899
  228    HG2  GLU  25           HG2      GLU  25  -7.498   2.026  -3.943
  229    HG3  GLU  25           HG3      GLU  25  -5.896   2.683  -4.268
  230    H    LYS  26           H        LYS  26  -4.365   4.020  -0.785
  231    HA   LYS  26           HA       LYS  26  -3.609   2.706   1.610
  232    HB2  LYS  26           HB2      LYS  26  -2.794   5.062   1.292
  233    HB3  LYS  26           HB3      LYS  26  -4.427   5.605   1.045
  234    HG2  LYS  26           HG2      LYS  26  -4.978   5.317   3.384
  235    HG3  LYS  26           HG3      LYS  26  -3.373   4.647   3.705
  236    HD2  LYS  26           HD2      LYS  26  -2.794   6.744   4.208
  237    HD3  LYS  26           HD3      LYS  26  -2.780   7.004   2.456
  238    HE2  LYS  26           HE2      LYS  26  -5.112   7.769   2.511
  239    HE3  LYS  26           HE3      LYS  26  -5.170   7.453   4.252
  240    HZ1  LYS  26           HZ1      LYS  26  -4.803   9.804   3.719
  241    HZ2  LYS  26           HZ2      LYS  26  -3.346   9.407   2.958
  242    HZ3  LYS  26           HZ3      LYS  26  -3.529   9.151   4.620
  243    H    ARG  27           H        ARG  27  -4.787   1.904   3.213
  244    HA   ARG  27           HA       ARG  27  -7.653   2.564   3.339
  245    HB2  ARG  27           HB2      ARG  27  -6.596   0.124   2.617
  246    HB3  ARG  27           HB3      ARG  27  -6.992  -0.174   4.271
  247    HG2  ARG  27           HG2      ARG  27  -8.692   0.348   1.880
  248    HG3  ARG  27           HG3      ARG  27  -8.895  -0.803   3.181
  249    HD2  ARG  27           HD2      ARG  27  -9.903   0.750   4.579
  250    HD3  ARG  27           HD3      ARG  27  -9.229   2.119   3.696
  251    HE   ARG  27           HE       ARG  27 -11.652   0.687   3.101
  252   HH11  ARG  27          HH11      ARG  27  -9.150   2.763   1.793
  253   HH12  ARG  27          HH12      ARG  27 -10.146   3.356   0.508
  254   HH21  ARG  27          HH21      ARG  27 -12.956   1.474   1.404
  255   HH22  ARG  27          HH22      ARG  27 -12.306   2.627   0.287
  256    H    TRP  28           H        TRP  28  -8.568   1.763   5.437
  257    HA   TRP  28           HA       TRP  28  -7.055   2.934   7.608
  258    HB2  TRP  28           HB2      TRP  28  -9.475   3.448   7.221
  259    HB3  TRP  28           HB3      TRP  28  -9.853   1.787   7.637
  260    HD1  TRP  28           HD1      TRP  28 -11.060   1.990   9.855
  261    HE1  TRP  28           HE1      TRP  28 -10.561   3.030  12.139
  262    HE3  TRP  28           HE3      TRP  28  -6.762   4.471   8.672
  263    HZ2  TRP  28           HZ2      TRP  28  -8.598   4.701  13.300
  264    HZ3  TRP  28           HZ3      TRP  28  -5.635   5.774  10.426
  265    HH2  TRP  28           HH2      TRP  28  -6.535   5.886  12.692
  266    H    ASP  29           H        ASP  29  -6.450   1.930   9.505
  267    HA   ASP  29           HA       ASP  29  -6.581  -1.019   9.524
  268    HB2  ASP  29           HB2      ASP  29  -4.274   0.131   9.208
  269    HB3  ASP  29           HB3      ASP  29  -4.394   0.516  10.909
  Start of MODEL   19
    1    H1   ARG   1           H1       ARG   1  -3.980   2.482  12.155
    2    H2   ARG   1           H2       ARG   1  -5.015   3.842  12.027
    3    H3   ARG   1           H3       ARG   1  -3.819   3.787  13.254
    4    HA   ARG   1           HA       ARG   1  -3.077   5.223  11.581
    5    HB2  ARG   1           HB2      ARG   1  -1.794   2.749  12.317
    6    HB3  ARG   1           HB3      ARG   1  -1.329   3.156  10.676
    7    HG2  ARG   1           HG2      ARG   1  -0.640   5.425  11.549
    8    HG3  ARG   1           HG3      ARG   1  -0.886   4.777  13.176
    9    HD2  ARG   1           HD2      ARG   1   0.687   2.954  11.616
   10    HD3  ARG   1           HD3      ARG   1   1.399   4.565  11.554
   11    HE   ARG   1           HE       ARG   1   1.239   2.816  13.836
   12   HH11  ARG   1          HH11      ARG   1   1.617   6.137  12.787
   13   HH12  ARG   1          HH12      ARG   1   2.404   6.636  14.246
   14   HH21  ARG   1          HH21      ARG   1   2.276   3.482  15.755
   15   HH22  ARG   1          HH22      ARG   1   2.779   5.130  15.930
   16    H    TRP   2           H        TRP   2  -2.056   5.234   9.336
   17    HA   TRP   2           HA       TRP   2  -4.047   4.242   7.424
   18    HB2  TRP   2           HB2      TRP   2  -1.990   6.443   7.305
   19    HB3  TRP   2           HB3      TRP   2  -2.871   5.934   5.911
   20    HD1  TRP   2           HD1      TRP   2  -3.064   8.217   8.730
   21    HE1  TRP   2           HE1      TRP   2  -5.379   9.358   8.832
   22    HE3  TRP   2           HE3      TRP   2  -5.466   5.254   5.452
   23    HZ2  TRP   2           HZ2      TRP   2  -7.926   9.003   7.616
   24    HZ3  TRP   2           HZ3      TRP   2  -7.837   5.684   4.928
   25    HH2  TRP   2           HH2      TRP   2  -9.044   7.524   5.998
   26    H    PHE   3           H        PHE   3  -3.236   3.430   5.278
   27    HA   PHE   3           HA       PHE   3  -0.533   2.685   4.918
   28    HB2  PHE   3           HB2      PHE   3  -0.420   0.461   5.382
   29    HB3  PHE   3           HB3      PHE   3  -1.371   1.091   6.682
   30    HD1  PHE   3           HD1      PHE   3  -4.059   1.135   5.961
   31    HD2  PHE   3           HD2      PHE   3  -1.044  -1.501   4.535
   32    HE1  PHE   3           HE1      PHE   3  -5.782  -0.459   5.291
   33    HE2  PHE   3           HE2      PHE   3  -2.790  -3.115   3.852
   34    HZ   PHE   3           HZ       PHE   3  -5.179  -2.569   4.223
   35    H    TYR   4           H        TYR   4  -0.200   1.147   3.149
   36    HA   TYR   4           HA       TYR   4  -2.204   1.663   1.100
   37    HB2  TYR   4           HB2      TYR   4   0.638   1.113   0.441
   38    HB3  TYR   4           HB3      TYR   4  -0.481   2.241  -0.227
   39    HD1  TYR   4           HD1      TYR   4  -0.875   3.329   2.916
   40    HD2  TYR   4           HD2      TYR   4   2.271   2.946   0.092
   41    HE1  TYR   4           HE1      TYR   4   0.233   5.052   4.041
   42    HE2  TYR   4           HE2      TYR   4   3.453   4.752   1.248
   43    HH   TYR   4           HH       TYR   4   3.146   5.679   4.069
   44    H    PHE   5           H        PHE   5  -2.806   0.074  -0.310
   45    HA   PHE   5           HA       PHE   5  -1.689  -2.611   0.121
   46    HB2  PHE   5           HB2      PHE   5  -3.914  -2.349   1.153
   47    HB3  PHE   5           HB3      PHE   5  -4.584  -1.948  -0.401
   48    HD1  PHE   5           HD1      PHE   5  -2.286  -4.646   0.823
   49    HD2  PHE   5           HD2      PHE   5  -5.818  -3.622  -1.314
   50    HE1  PHE   5           HE1      PHE   5  -2.633  -7.002   0.259
   51    HE2  PHE   5           HE2      PHE   5  -6.169  -5.976  -1.873
   52    HZ   PHE   5           HZ       PHE   5  -4.573  -7.656  -1.094
   53    H    ASN   6           H        ASN   6  -1.061  -3.670  -1.671
   54    HA   ASN   6           HA       ASN   6  -1.891  -2.512  -4.243
   55    HB2  ASN   6           HB2      ASN   6   0.574  -2.650  -3.878
   56    HB3  ASN   6           HB3      ASN   6   0.439  -4.355  -3.560
   57   HD21  ASN   6          HD21      ASN   6  -0.781  -2.084  -6.036
   58   HD22  ASN   6          HD22      ASN   6  -0.349  -3.045  -7.398
   59    H    ARG   7           H        ARG   7  -3.538  -3.495  -5.107
   60    HA   ARG   7           HA       ARG   7  -4.434  -6.071  -4.310
   61    HB2  ARG   7           HB2      ARG   7  -6.340  -5.633  -5.541
   62    HB3  ARG   7           HB3      ARG   7  -5.763  -4.036  -5.088
   63    HG2  ARG   7           HG2      ARG   7  -4.986  -3.560  -7.185
   64    HG3  ARG   7           HG3      ARG   7  -4.980  -5.240  -7.685
   65    HD2  ARG   7           HD2      ARG   7  -7.470  -5.258  -7.575
   66    HD3  ARG   7           HD3      ARG   7  -7.428  -3.524  -7.187
   67    HE   ARG   7           HE       ARG   7  -5.985  -4.131  -9.632
   68   HH11  ARG   7          HH11      ARG   7  -9.198  -3.581  -8.306
   69   HH12  ARG   7          HH12      ARG   7  -9.859  -3.050  -9.815
   70   HH21  ARG   7          HH21      ARG   7  -6.876  -3.431 -11.603
   71   HH22  ARG   7          HH22      ARG   7  -8.542  -2.965 -11.687
   72    H    ILE   8           H        ILE   8  -2.402  -4.967  -6.868
   73    HA   ILE   8           HA       ILE   8  -2.853  -7.147  -8.665
   74    HB   ILE   8           HB       ILE   8  -0.542  -5.194  -8.466
   75   HG12  ILE   8          HG12      ILE   8  -3.064  -4.566  -9.271
   76   HG13  ILE   8          HG13      ILE   8  -1.617  -3.777  -9.863
   77   HG21  ILE   8          HG21      ILE   8   0.223  -7.242  -9.521
   78   HG22  ILE   8          HG22      ILE   8   0.155  -5.920 -10.684
   79   HG23  ILE   8          HG23      ILE   8  -1.102  -7.156 -10.683
   80   HD11  ILE   8          HD11      ILE   8  -2.223  -4.305 -11.911
   81   HD12  ILE   8          HD12      ILE   8  -3.587  -5.244 -11.310
   82   HD13  ILE   8          HD13      ILE   8  -2.013  -6.010 -11.524
   83    H    THR   9           H        THR   9  -0.248  -6.442  -6.330
   84    HA   THR   9           HA       THR   9   0.712  -9.182  -6.647
   85    HB   THR   9           HB       THR   9   2.740  -8.490  -5.622
   86    HG1  THR   9           HG1      THR   9   2.955  -6.362  -4.785
   87   HG21  THR   9          HG21      THR   9   3.543  -6.874  -7.111
   88   HG22  THR   9          HG22      THR   9   1.947  -6.133  -7.278
   89   HG23  THR   9          HG23      THR   9   2.259  -7.724  -7.973
   90    H    GLY  10           H        GLY  10  -0.984  -7.215  -4.514
   91    HA2  GLY  10           HA2      GLY  10  -2.239  -7.802  -2.649
   92    HA3  GLY  10           HA3      GLY  10  -1.486  -9.366  -2.716
   93    H    LYS  11           H        LYS  11   0.699  -6.681  -2.743
   94    HA   LYS  11           HA       LYS  11   1.573  -7.355  -0.062
   95    HB2  LYS  11           HB2      LYS  11   2.796  -5.820  -2.346
   96    HB3  LYS  11           HB3      LYS  11   3.568  -6.006  -0.782
   97    HG2  LYS  11           HG2      LYS  11   2.713  -8.355  -2.426
   98    HG3  LYS  11           HG3      LYS  11   4.257  -7.554  -2.691
   99    HD2  LYS  11           HD2      LYS  11   3.303  -8.983  -0.225
  100    HD3  LYS  11           HD3      LYS  11   4.671  -9.395  -1.253
  101    HE2  LYS  11           HE2      LYS  11   5.151  -6.776  -0.408
  102    HE3  LYS  11           HE3      LYS  11   4.549  -7.618   1.018
  103    HZ1  LYS  11           HZ1      LYS  11   6.941  -7.793   0.862
  104    HZ2  LYS  11           HZ2      LYS  11   6.829  -8.479  -0.680
  105    HZ3  LYS  11           HZ3      LYS  11   6.241  -9.321   0.664
  106    H    ARG  12           H        ARG  12   2.180  -5.529   1.391
  107    HA   ARG  12           HA       ARG  12   0.885  -3.015   0.997
  108    HB2  ARG  12           HB2      ARG  12  -0.744  -3.357   2.701
  109    HB3  ARG  12           HB3      ARG  12  -0.873  -4.720   1.625
  110    HG2  ARG  12           HG2      ARG  12   0.637  -4.741   4.224
  111    HG3  ARG  12           HG3      ARG  12  -1.031  -5.241   4.069
  112    HD2  ARG  12           HD2      ARG  12   1.304  -6.494   2.612
  113    HD3  ARG  12           HD3      ARG  12   0.552  -7.121   4.071
  114    HE   ARG  12           HE       ARG  12  -1.080  -6.834   1.607
  115   HH11  ARG  12          HH11      ARG  12   0.322  -8.869   4.118
  116   HH12  ARG  12          HH12      ARG  12  -0.659 -10.234   3.715
  117   HH21  ARG  12          HH21      ARG  12  -2.358  -8.649   1.107
  118   HH22  ARG  12          HH22      ARG  12  -2.173 -10.113   2.013
  119    H    GLN  13           H        GLN  13   1.585  -1.433   2.523
  120    HA   GLN  13           HA       GLN  13   2.750  -2.059   4.990
  121    HB2  GLN  13           HB2      GLN  13   4.854  -0.725   4.251
  122    HB3  GLN  13           HB3      GLN  13   4.817  -2.461   4.220
  123    HG2  GLN  13           HG2      GLN  13   5.761  -0.935   2.259
  124    HG3  GLN  13           HG3      GLN  13   5.074  -2.491   2.035
  125   HE21  GLN  13          HE21      GLN  13   3.928   0.850   2.143
  126   HE22  GLN  13          HE22      GLN  13   2.825   0.669   0.842
  127    H    PHE  14           H        PHE  14   3.827  -0.124   5.935
  128    HA   PHE  14           HA       PHE  14   2.107   2.194   5.592
  129    HB2  PHE  14           HB2      PHE  14   2.913   1.227   7.890
  130    HB3  PHE  14           HB3      PHE  14   4.485   1.892   7.468
  131    HD1  PHE  14           HD2      PHE  14   1.046   3.221   7.114
  132    HD2  PHE  14           HD1      PHE  14   4.905   3.712   8.782
  133    HE1  PHE  14           HE2      PHE  14   0.360   5.395   8.024
  134    HE2  PHE  14           HE1      PHE  14   4.242   5.891   9.706
  135    HZ   PHE  14           HZ       PHE  14   1.965   6.727   9.321
  136    H    GLU  15           H        GLU  15   5.252   1.004   4.754
  137    HA   GLU  15           HA       GLU  15   6.569   3.462   4.214
  138    HB2  GLU  15           HB2      GLU  15   7.220   0.815   4.354
  139    HB3  GLU  15           HB3      GLU  15   7.334   1.128   2.675
  140    HG2  GLU  15           HG2      GLU  15   8.596   3.221   4.125
  141    HG3  GLU  15           HG3      GLU  15   9.192   1.670   4.700
  142    H    ARG  16           H        ARG  16   7.580   3.352   1.976
  143    HA   ARG  16           HA       ARG  16   5.844   4.413   0.079
  144    HB2  ARG  16           HB2      ARG  16   8.202   4.813  -0.008
  145    HB3  ARG  16           HB3      ARG  16   8.564   3.101  -0.025
  146    HG2  ARG  16           HG2      ARG  16   7.466   2.964  -2.231
  147    HG3  ARG  16           HG3      ARG  16   7.387   4.725  -2.252
  148    HD2  ARG  16           HD2      ARG  16   9.343   3.872  -3.477
  149    HD3  ARG  16           HD3      ARG  16   9.800   4.861  -2.091
  150    HE   ARG  16           HE       ARG  16   9.717   1.984  -1.665
  151   HH11  ARG  16          HH11      ARG  16  11.683   4.801  -2.358
  152   HH12  ARG  16          HH12      ARG  16  13.154   4.050  -1.842
  153   HH21  ARG  16          HH21      ARG  16  11.660   1.005  -0.986
  154   HH22  ARG  16          HH22      ARG  16  13.142   1.896  -1.064
  155    HA   PRO  17           HA       PRO  17   3.663   0.976  -1.650
  156    HB2  PRO  17           HB2      PRO  17   4.311   1.248  -4.350
  157    HB3  PRO  17           HB3      PRO  17   2.953   2.020  -3.531
  158    HG2  PRO  17           HG2      PRO  17   5.651   3.120  -4.160
  159    HG3  PRO  17           HG3      PRO  17   4.076   3.925  -4.223
  160    HD2  PRO  17           HD2      PRO  17   5.752   4.382  -2.218
  161    HD3  PRO  17           HD3      PRO  17   4.031   4.198  -1.928
  162    H    LYS  18           H        LYS  18   4.169  -1.112  -1.845
  163    HA   LYS  18           HA       LYS  18   6.914  -1.928  -1.878
  164    HB2  LYS  18           HB2      LYS  18   4.563  -3.195  -1.053
  165    HB3  LYS  18           HB3      LYS  18   5.029  -4.101  -2.474
  166    HG2  LYS  18           HG2      LYS  18   6.424  -3.811   0.145
  167    HG3  LYS  18           HG3      LYS  18   6.032  -5.264  -0.770
  168    HD2  LYS  18           HD2      LYS  18   7.936  -3.338  -1.998
  169    HD3  LYS  18           HD3      LYS  18   8.505  -4.311  -0.643
  170    HE2  LYS  18           HE2      LYS  18   7.821  -6.346  -1.825
  171    HE3  LYS  18           HE3      LYS  18   7.265  -5.368  -3.182
  172    HZ1  LYS  18           HZ1      LYS  18   9.519  -4.608  -3.533
  173    HZ2  LYS  18           HZ2      LYS  18   9.473  -6.299  -3.562
  174    HZ3  LYS  18           HZ3      LYS  18  10.066  -5.493  -2.198
  175    H    GLY  19           H        GLY  19   6.868  -0.528  -3.926
  176    HA2  GLY  19           HA2      GLY  19   8.000  -1.573  -6.021
  177    HA3  GLY  19           HA3      GLY  19   6.347  -2.059  -6.346
  178    H    LEU  20           H        LEU  20   5.992   0.973  -4.873
  179    HA   LEU  20           HA       LEU  20   5.359   2.984  -5.806
  180    HB2  LEU  20           HB2      LEU  20   8.027   2.330  -6.575
  181    HB3  LEU  20           HB3      LEU  20   7.303   3.264  -7.858
  182    HG   LEU  20           HG       LEU  20   7.408   4.240  -4.987
  183   HD11  LEU  20          HD11      LEU  20   9.359   5.543  -5.643
  184   HD12  LEU  20          HD12      LEU  20   9.381   4.727  -7.207
  185   HD13  LEU  20          HD13      LEU  20   9.672   3.810  -5.729
  186   HD21  LEU  20          HD21      LEU  20   6.322   5.262  -7.486
  187   HD22  LEU  20          HD22      LEU  20   7.508   6.360  -6.785
  188   HD23  LEU  20          HD23      LEU  20   6.108   5.859  -5.838
  189    H    VAL  21           H        VAL  21   3.714   1.318  -6.660
  190    HA   VAL  21           HA       VAL  21   3.354   1.732  -9.476
  191    HB   VAL  21           HB       VAL  21   2.237  -0.792  -8.528
  192   HG11  VAL  21          HG11      VAL  21   2.967   0.434 -11.019
  193   HG12  VAL  21          HG12      VAL  21   2.117  -1.086 -10.743
  194   HG13  VAL  21          HG13      VAL  21   3.878  -1.064 -10.826
  195   HG21  VAL  21          HG21      VAL  21   5.090  -0.742  -9.206
  196   HG22  VAL  21          HG22      VAL  21   4.154  -1.922  -8.292
  197   HG23  VAL  21          HG23      VAL  21   4.577  -0.376  -7.574
  198    H    LYS  22           H        LYS  22   1.223   0.572 -10.002
  199    HA   LYS  22           HA       LYS  22  -0.902   2.182  -8.818
  200    HB2  LYS  22           HB2      LYS  22  -0.612   0.718 -11.439
  201    HB3  LYS  22           HB3      LYS  22  -2.200   1.172 -10.843
  202    HG2  LYS  22           HG2      LYS  22   0.075   3.059 -11.424
  203    HG3  LYS  22           HG3      LYS  22  -1.354   2.807 -12.427
  204    HD2  LYS  22           HD2      LYS  22  -1.423   3.798  -9.577
  205    HD3  LYS  22           HD3      LYS  22  -1.464   4.845 -10.996
  206    HE2  LYS  22           HE2      LYS  22  -3.457   2.630 -10.679
  207    HE3  LYS  22           HE3      LYS  22  -3.689   4.167  -9.848
  208    HZ1  LYS  22           HZ1      LYS  22  -4.829   4.170 -11.958
  209    HZ2  LYS  22           HZ2      LYS  22  -3.401   3.791 -12.781
  210    HZ3  LYS  22           HZ3      LYS  22  -3.558   5.285 -12.005
  211    H    GLY  23           H        GLY  23  -3.118   0.800  -8.835
  212    HA2  GLY  23           HA2      GLY  23  -4.161  -1.333  -8.164
  213    HA3  GLY  23           HA3      GLY  23  -2.545  -1.982  -7.960
  214    H    TRP  24           H        TRP  24  -1.526   0.215  -6.500
  215    HA   TRP  24           HA       TRP  24  -1.904  -0.503  -3.884
  216    HB2  TRP  24           HB2      TRP  24  -0.739   1.889  -5.309
  217    HB3  TRP  24           HB3      TRP  24  -0.633   1.704  -3.579
  218    HD1  TRP  24           HD1      TRP  24   1.204   0.765  -6.660
  219    HE1  TRP  24           HE1      TRP  24   3.017  -0.900  -6.104
  220    HE3  TRP  24           HE3      TRP  24  -0.283  -0.506  -1.953
  221    HZ2  TRP  24           HZ2      TRP  24   3.734  -2.618  -4.006
  222    HZ3  TRP  24           HZ3      TRP  24   0.992  -2.263  -0.797
  223    HH2  TRP  24           HH2      TRP  24   2.971  -3.226  -1.761
  224    H    GLU  25           H        GLU  25  -3.282   0.230  -2.245
  225    HA   GLU  25           HA       GLU  25  -4.792   2.694  -2.696
  226    HB2  GLU  25           HB2      GLU  25  -6.036  -0.022  -2.735
  227    HB3  GLU  25           HB3      GLU  25  -6.890   1.252  -1.879
  228    HG2  GLU  25           HG2      GLU  25  -7.798   1.730  -3.847
  229    HG3  GLU  25           HG3      GLU  25  -6.252   2.485  -4.228
  230    H    LYS  26           H        LYS  26  -4.590   3.821  -0.890
  231    HA   LYS  26           HA       LYS  26  -3.991   2.453   1.577
  232    HB2  LYS  26           HB2      LYS  26  -2.710   4.589   1.221
  233    HB3  LYS  26           HB3      LYS  26  -4.178   5.426   0.820
  234    HG2  LYS  26           HG2      LYS  26  -4.919   5.424   3.106
  235    HG3  LYS  26           HG3      LYS  26  -3.514   4.465   3.590
  236    HD2  LYS  26           HD2      LYS  26  -2.570   6.445   4.034
  237    HD3  LYS  26           HD3      LYS  26  -2.334   6.532   2.281
  238    HE2  LYS  26           HE2      LYS  26  -4.442   7.767   2.021
  239    HE3  LYS  26           HE3      LYS  26  -4.723   7.641   3.764
  240    HZ1  LYS  26           HZ1      LYS  26  -3.802   9.800   3.091
  241    HZ2  LYS  26           HZ2      LYS  26  -2.403   9.028   2.536
  242    HZ3  LYS  26           HZ3      LYS  26  -2.795   8.986   4.181
  243    H    ARG  27           H        ARG  27  -5.430   2.023   3.241
  244    HA   ARG  27           HA       ARG  27  -8.021   3.295   3.039
  245    HB2  ARG  27           HB2      ARG  27  -7.801   0.829   2.127
  246    HB3  ARG  27           HB3      ARG  27  -8.061   0.363   3.774
  247    HG2  ARG  27           HG2      ARG  27 -10.104   1.719   3.814
  248    HG3  ARG  27           HG3      ARG  27  -9.878   1.995   2.101
  249    HD2  ARG  27           HD2      ARG  27 -11.466   0.153   2.610
  250    HD3  ARG  27           HD3      ARG  27 -10.108  -0.327   1.596
  251    HE   ARG  27           HE       ARG  27  -9.488  -0.821   4.305
  252   HH11  ARG  27          HH11      ARG  27 -11.539  -2.033   1.740
  253   HH12  ARG  27          HH12      ARG  27 -11.581  -3.645   2.369
  254   HH21  ARG  27          HH21      ARG  27  -9.546  -2.946   5.129
  255   HH22  ARG  27          HH22      ARG  27 -10.451  -4.164   4.293
  256    H    TRP  28           H        TRP  28  -6.337   1.279   5.192
  257    HA   TRP  28           HA       TRP  28  -6.162   2.866   7.409
  258    HB2  TRP  28           HB2      TRP  28  -8.689   2.741   7.094
  259    HB3  TRP  28           HB3      TRP  28  -8.546   1.080   7.586
  260    HD1  TRP  28           HD1      TRP  28  -9.442   0.942   9.934
  261    HE1  TRP  28           HE1      TRP  28  -9.175   2.250  12.118
  262    HE3  TRP  28           HE3      TRP  28  -6.515   4.765   8.220
  263    HZ2  TRP  28           HZ2      TRP  28  -7.898   4.609  13.008
  264    HZ3  TRP  28           HZ3      TRP  28  -5.823   6.511   9.804
  265    HH2  TRP  28           HH2      TRP  28  -6.499   6.434  12.147
  266    H    ASP  29           H        ASP  29  -4.858   1.860   8.853
  267    HA   ASP  29           HA       ASP  29  -5.120  -0.779   9.760
  268    HB2  ASP  29           HB2      ASP  29  -4.210  -1.280   7.467
  269    HB3  ASP  29           HB3      ASP  29  -2.736  -0.437   7.929
  Start of MODEL   20
    1    H1   ARG   1           H1       ARG   1  -3.321   8.192   3.211
    2    H2   ARG   1           H2       ARG   1  -2.173   8.789   4.338
    3    H3   ARG   1           H3       ARG   1  -3.847   9.067   4.588
    4    HA   ARG   1           HA       ARG   1  -3.005   7.359   6.037
    5    HB2  ARG   1           HB2      ARG   1  -5.400   7.339   4.980
    6    HB3  ARG   1           HB3      ARG   1  -4.759   6.228   3.789
    7    HG2  ARG   1           HG2      ARG   1  -4.263   4.575   5.631
    8    HG3  ARG   1           HG3      ARG   1  -5.083   5.701   6.741
    9    HD2  ARG   1           HD2      ARG   1  -6.247   4.205   4.417
   10    HD3  ARG   1           HD3      ARG   1  -6.714   4.129   6.102
   11    HE   ARG   1           HE       ARG   1  -7.184   6.722   5.367
   12   HH11  ARG   1          HH11      ARG   1  -8.267   3.580   4.265
   13   HH12  ARG   1          HH12      ARG   1  -9.800   4.166   3.716
   14   HH21  ARG   1          HH21      ARG   1  -9.206   7.487   4.645
   15   HH22  ARG   1          HH22      ARG   1 -10.334   6.383   3.932
   16    H    TRP   2           H        TRP   2  -2.135   5.413   6.294
   17    HA   TRP   2           HA       TRP   2  -0.504   4.401   4.223
   18    HB2  TRP   2           HB2      TRP   2   1.066   4.180   6.208
   19    HB3  TRP   2           HB3      TRP   2   0.811   5.678   5.411
   20    HD1  TRP   2           HD1      TRP   2   1.325   7.066   7.488
   21    HE1  TRP   2           HE1      TRP   2   0.416   7.353   9.870
   22    HE3  TRP   2           HE3      TRP   2  -2.275   3.798   6.990
   23    HZ2  TRP   2           HZ2      TRP   2  -1.736   6.203  11.361
   24    HZ3  TRP   2           HZ3      TRP   2  -3.723   3.354   8.910
   25    HH2  TRP   2           HH2      TRP   2  -3.545   4.561  11.029
   26    H    PHE   3           H        PHE   3  -0.316   2.420   3.793
   27    HA   PHE   3           HA       PHE   3   0.004   0.095   5.182
   28    HB2  PHE   3           HB2      PHE   3  -2.409   1.260   5.439
   29    HB3  PHE   3           HB3      PHE   3  -2.591   0.104   4.200
   30    HD1  PHE   3           HD2      PHE   3  -2.305  -2.185   4.539
   31    HD2  PHE   3           HD1      PHE   3  -2.012   0.670   7.584
   32    HE1  PHE   3           HE2      PHE   3  -2.652  -3.971   6.177
   33    HE2  PHE   3           HE1      PHE   3  -2.400  -1.035   9.279
   34    HZ   PHE   3           HZ       PHE   3  -2.773  -3.370   8.586
   35    H    TYR   4           H        TYR   4  -1.341   1.613   2.525
   36    HA   TYR   4           HA       TYR   4  -2.517   0.665   0.597
   37    HB2  TYR   4           HB2      TYR   4   0.221   0.797  -0.457
   38    HB3  TYR   4           HB3      TYR   4  -1.252   1.622  -0.911
   39    HD1  TYR   4           HD1      TYR   4   0.959   1.447   1.948
   40    HD2  TYR   4           HD2      TYR   4  -1.235   3.953  -0.632
   41    HE1  TYR   4           HE1      TYR   4   1.697   3.336   3.231
   42    HE2  TYR   4           HE2      TYR   4  -0.484   5.913   0.629
   43    HH   TYR   4           HH       TYR   4   0.386   6.190   3.275
   44    H    PHE   5           H        PHE   5  -3.289  -1.067   0.052
   45    HA   PHE   5           HA       PHE   5  -1.809  -3.540  -0.007
   46    HB2  PHE   5           HB2      PHE   5  -4.050  -3.480   1.032
   47    HB3  PHE   5           HB3      PHE   5  -4.735  -3.010  -0.511
   48    HD1  PHE   5           HD2      PHE   5  -2.299  -5.617   0.583
   49    HD2  PHE   5           HD1      PHE   5  -5.857  -4.694  -1.541
   50    HE1  PHE   5           HE2      PHE   5  -2.472  -7.939  -0.091
   51    HE2  PHE   5           HE1      PHE   5  -6.047  -7.032  -2.240
   52    HZ   PHE   5           HZ       PHE   5  -4.362  -8.645  -1.525
   53    H    ASN   6           H        ASN   6  -0.934  -4.256  -1.892
   54    HA   ASN   6           HA       ASN   6  -1.817  -2.894  -4.322
   55    HB2  ASN   6           HB2      ASN   6   0.644  -2.861  -3.832
   56    HB3  ASN   6           HB3      ASN   6   0.660  -4.605  -3.817
   57   HD21  ASN   6          HD21      ASN   6  -0.632  -2.017  -5.927
   58   HD22  ASN   6          HD22      ASN   6  -0.089  -2.702  -7.409
   59    H    ARG   7           H        ARG   7  -3.628  -3.916  -4.750
   60    HA   ARG   7           HA       ARG   7  -4.318  -6.563  -4.542
   61    HB2  ARG   7           HB2      ARG   7  -6.180  -6.015  -5.852
   62    HB3  ARG   7           HB3      ARG   7  -5.678  -4.506  -5.097
   63    HG2  ARG   7           HG2      ARG   7  -4.822  -3.642  -7.004
   64    HG3  ARG   7           HG3      ARG   7  -4.663  -5.202  -7.784
   65    HD2  ARG   7           HD2      ARG   7  -7.126  -5.379  -7.948
   66    HD3  ARG   7           HD3      ARG   7  -7.272  -3.778  -7.191
   67    HE   ARG   7           HE       ARG   7  -5.596  -3.730  -9.568
   68   HH11  ARG   7          HH11      ARG   7  -8.930  -3.671  -8.441
   69   HH12  ARG   7          HH12      ARG   7  -9.514  -2.846  -9.846
   70   HH21  ARG   7          HH21      ARG   7  -6.387  -2.648 -11.403
   71   HH22  ARG   7          HH22      ARG   7  -8.071  -2.266 -11.528
   72    H    ILE   8           H        ILE   8  -2.293  -5.113  -6.952
   73    HA   ILE   8           HA       ILE   8  -2.653  -7.081  -8.987
   74    HB   ILE   8           HB       ILE   8  -0.411  -5.094  -8.524
   75   HG12  ILE   8          HG12      ILE   8  -2.946  -4.457  -9.285
   76   HG13  ILE   8          HG13      ILE   8  -1.520  -3.555  -9.754
   77   HG21  ILE   8          HG21      ILE   8   0.471  -6.936  -9.800
   78   HG22  ILE   8          HG22      ILE   8   0.300  -5.517 -10.832
   79   HG23  ILE   8          HG23      ILE   8  -0.870  -6.830 -10.941
   80   HD11  ILE   8          HD11      ILE   8  -3.424  -4.871 -11.399
   81   HD12  ILE   8          HD12      ILE   8  -1.839  -5.596 -11.672
   82   HD13  ILE   8          HD13      ILE   8  -2.060  -3.858 -11.863
   83    H    THR   9           H        THR   9  -0.106  -6.602  -6.538
   84    HA   THR   9           HA       THR   9   0.966  -9.241  -7.190
   85    HB   THR   9           HB       THR   9   2.939  -8.596  -6.002
   86    HG1  THR   9           HG1      THR   9   3.031  -6.549  -4.963
   87   HG21  THR   9          HG21      THR   9   3.706  -6.782  -7.286
   88   HG22  THR   9          HG22      THR   9   2.070  -6.142  -7.471
   89   HG23  THR   9          HG23      THR   9   2.529  -7.638  -8.285
   90    H    GLY  10           H        GLY  10  -0.890  -7.665  -4.904
   91    HA2  GLY  10           HA2      GLY  10  -2.184  -8.596  -3.211
   92    HA3  GLY  10           HA3      GLY  10  -1.213 -10.026  -3.319
   93    H    LYS  11           H        LYS  11   0.686  -7.220  -3.118
   94    HA   LYS  11           HA       LYS  11   1.442  -7.821  -0.383
   95    HB2  LYS  11           HB2      LYS  11   2.609  -6.039  -2.510
   96    HB3  LYS  11           HB3      LYS  11   3.303  -6.276  -0.920
   97    HG2  LYS  11           HG2      LYS  11   2.823  -8.584  -2.756
   98    HG3  LYS  11           HG3      LYS  11   4.264  -7.582  -2.911
   99    HD2  LYS  11           HD2      LYS  11   3.415  -9.157  -0.482
  100    HD3  LYS  11           HD3      LYS  11   4.751  -9.532  -1.564
  101    HE2  LYS  11           HE2      LYS  11   4.568  -6.994   0.051
  102    HE3  LYS  11           HE3      LYS  11   5.410  -8.442   0.595
  103    HZ1  LYS  11           HZ1      LYS  11   6.835  -8.285  -1.367
  104    HZ2  LYS  11           HZ2      LYS  11   6.947  -6.897  -0.409
  105    HZ3  LYS  11           HZ3      LYS  11   6.047  -6.864  -1.840
  106    H    ARG  12           H        ARG  12   2.125  -5.655   0.776
  107    HA   ARG  12           HA       ARG  12   0.528  -3.428   0.416
  108    HB2  ARG  12           HB2      ARG  12  -1.296  -3.892   1.682
  109    HB3  ARG  12           HB3      ARG  12  -0.852  -5.548   1.441
  110    HG2  ARG  12           HG2      ARG  12  -0.140  -5.787   3.603
  111    HG3  ARG  12           HG3      ARG  12   0.217  -4.085   3.777
  112    HD2  ARG  12           HD2      ARG  12  -1.726  -4.650   5.078
  113    HD3  ARG  12           HD3      ARG  12  -2.194  -3.613   3.730
  114    HE   ARG  12           HE       ARG  12  -2.440  -6.435   3.165
  115   HH11  ARG  12          HH11      ARG  12  -4.072  -3.606   4.446
  116   HH12  ARG  12          HH12      ARG  12  -5.654  -4.246   4.167
  117   HH21  ARG  12          HH21      ARG  12  -4.526  -7.261   2.798
  118   HH22  ARG  12          HH22      ARG  12  -5.913  -6.319   3.232
  119    H    GLN  13           H        GLN  13   0.936  -1.686   1.998
  120    HA   GLN  13           HA       GLN  13   3.027  -2.328   3.897
  121    HB2  GLN  13           HB2      GLN  13   3.433  -1.313   1.268
  122    HB3  GLN  13           HB3      GLN  13   3.979  -0.142   2.478
  123    HG2  GLN  13           HG2      GLN  13   5.221  -1.914   3.562
  124    HG3  GLN  13           HG3      GLN  13   4.717  -2.980   2.317
  125   HE21  GLN  13          HE21      GLN  13   5.411   0.193   1.311
  126   HE22  GLN  13          HE22      GLN  13   6.952  -0.149   0.615
  127    H    PHE  14           H        PHE  14   2.832  -1.183   5.612
  128    HA   PHE  14           HA       PHE  14   0.971   0.985   5.869
  129    HB2  PHE  14           HB2      PHE  14   2.054  -0.621   7.766
  130    HB3  PHE  14           HB3      PHE  14   3.292   0.624   7.795
  131    HD1  PHE  14           HD2      PHE  14  -0.432   0.997   7.433
  132    HD2  PHE  14           HD1      PHE  14   3.048   1.598   9.840
  133    HE1  PHE  14           HE2      PHE  14  -1.756   2.181   9.103
  134    HE2  PHE  14           HE1      PHE  14   1.702   2.801  11.494
  135    HZ   PHE  14           HZ       PHE  14  -0.703   3.090  11.120
  136    H    GLU  15           H        GLU  15   4.314   0.614   4.898
  137    HA   GLU  15           HA       GLU  15   4.944   3.427   5.056
  138    HB2  GLU  15           HB2      GLU  15   6.367   1.077   5.050
  139    HB3  GLU  15           HB3      GLU  15   6.660   1.728   3.492
  140    HG2  GLU  15           HG2      GLU  15   6.878   3.770   5.438
  141    HG3  GLU  15           HG3      GLU  15   7.828   2.381   5.944
  142    H    ARG  16           H        ARG  16   6.192   3.986   3.010
  143    HA   ARG  16           HA       ARG  16   4.445   4.658   0.997
  144    HB2  ARG  16           HB2      ARG  16   6.568   5.770   1.259
  145    HB3  ARG  16           HB3      ARG  16   7.445   4.269   1.024
  146    HG2  ARG  16           HG2      ARG  16   6.326   4.229  -1.256
  147    HG3  ARG  16           HG3      ARG  16   6.045   5.949  -1.000
  148    HD2  ARG  16           HD2      ARG  16   8.774   4.828  -0.548
  149    HD3  ARG  16           HD3      ARG  16   8.229   5.094  -2.203
  150    HE   ARG  16           HE       ARG  16   7.695   7.460  -1.124
  151   HH11  ARG  16          HH11      ARG  16  10.567   5.471  -0.844
  152   HH12  ARG  16          HH12      ARG  16  11.625   6.821  -0.617
  153   HH21  ARG  16          HH21      ARG  16   9.098   9.230  -0.826
  154   HH22  ARG  16          HH22      ARG  16  10.793   8.953  -0.607
  155    HA   PRO  17           HA       PRO  17   3.278   0.790  -0.827
  156    HB2  PRO  17           HB2      PRO  17   3.868   1.770  -3.498
  157    HB3  PRO  17           HB3      PRO  17   2.324   1.343  -2.779
  158    HG2  PRO  17           HG2      PRO  17   3.531   3.959  -3.081
  159    HG3  PRO  17           HG3      PRO  17   1.882   3.538  -2.605
  160    HD2  PRO  17           HD2      PRO  17   3.685   4.654  -0.920
  161    HD3  PRO  17           HD3      PRO  17   2.418   3.571  -0.393
  162    H    LYS  18           H        LYS  18   4.111  -1.037  -1.583
  163    HA   LYS  18           HA       LYS  18   6.959  -1.336  -1.549
  164    HB2  LYS  18           HB2      LYS  18   4.857  -3.115  -1.155
  165    HB3  LYS  18           HB3      LYS  18   5.446  -3.573  -2.744
  166    HG2  LYS  18           HG2      LYS  18   6.748  -3.771  -0.093
  167    HG3  LYS  18           HG3      LYS  18   6.679  -4.938  -1.410
  168    HD2  LYS  18           HD2      LYS  18   8.117  -2.952  -2.569
  169    HD3  LYS  18           HD3      LYS  18   8.621  -2.786  -0.886
  170    HE2  LYS  18           HE2      LYS  18   9.798  -4.695  -0.932
  171    HE3  LYS  18           HE3      LYS  18   8.547  -5.553  -1.831
  172    HZ1  LYS  18           HZ1      LYS  18   9.342  -4.463  -3.858
  173    HZ2  LYS  18           HZ2      LYS  18  10.553  -5.394  -3.132
  174    HZ3  LYS  18           HZ3      LYS  18  10.576  -3.710  -2.977
  175    H    GLY  19           H        GLY  19   6.628   0.493  -3.269
  176    HA2  GLY  19           HA2      GLY  19   8.009   0.238  -5.442
  177    HA3  GLY  19           HA3      GLY  19   6.537  -0.547  -5.982
  178    H    LEU  20           H        LEU  20   5.471   1.954  -3.895
  179    HA   LEU  20           HA       LEU  20   4.368   3.894  -4.437
  180    HB2  LEU  20           HB2      LEU  20   7.120   4.084  -5.127
  181    HB3  LEU  20           HB3      LEU  20   6.223   5.037  -6.281
  182    HG   LEU  20           HG       LEU  20   6.013   5.447  -3.282
  183   HD11  LEU  20          HD11      LEU  20   7.754   6.937  -5.232
  184   HD12  LEU  20          HD12      LEU  20   8.329   5.744  -4.068
  185   HD13  LEU  20          HD13      LEU  20   7.588   7.241  -3.503
  186   HD21  LEU  20          HD21      LEU  20   5.562   7.821  -4.658
  187   HD22  LEU  20          HD22      LEU  20   4.337   6.806  -3.903
  188   HD23  LEU  20          HD23      LEU  20   4.716   6.608  -5.616
  189    H    VAL  21           H        VAL  21   3.295   2.012  -5.785
  190    HA   VAL  21           HA       VAL  21   2.828   2.993  -8.449
  191    HB   VAL  21           HB       VAL  21   2.199   0.165  -8.114
  192   HG11  VAL  21          HG11      VAL  21   2.167   0.335 -10.340
  193   HG12  VAL  21          HG12      VAL  21   3.886   0.729 -10.328
  194   HG13  VAL  21          HG13      VAL  21   2.686   2.018 -10.238
  195   HG21  VAL  21          HG21      VAL  21   4.273  -0.630  -7.988
  196   HG22  VAL  21          HG22      VAL  21   4.446   0.813  -7.001
  197   HG23  VAL  21          HG23      VAL  21   4.994   0.824  -8.664
  198    H    LYS  22           H        LYS  22   0.945   1.575  -9.301
  199    HA   LYS  22           HA       LYS  22  -1.444   2.588  -7.987
  200    HB2  LYS  22           HB2      LYS  22  -0.896   1.474 -10.738
  201    HB3  LYS  22           HB3      LYS  22  -2.538   1.657 -10.142
  202    HG2  LYS  22           HG2      LYS  22  -2.426   3.965 -10.142
  203    HG3  LYS  22           HG3      LYS  22  -0.662   3.983 -10.095
  204    HD2  LYS  22           HD2      LYS  22  -0.477   3.812 -12.335
  205    HD3  LYS  22           HD3      LYS  22  -1.826   2.681 -12.461
  206    HE2  LYS  22           HE2      LYS  22  -3.271   4.776 -11.895
  207    HE3  LYS  22           HE3      LYS  22  -1.851   5.671 -12.434
  208    HZ1  LYS  22           HZ1      LYS  22  -3.336   3.651 -14.031
  209    HZ2  LYS  22           HZ2      LYS  22  -1.969   4.502 -14.551
  210    HZ3  LYS  22           HZ3      LYS  22  -3.412   5.329 -14.240
  211    H    GLY  23           H        GLY  23  -3.390   0.925  -8.171
  212    HA2  GLY  23           HA2      GLY  23  -4.145  -1.387  -7.776
  213    HA3  GLY  23           HA3      GLY  23  -2.465  -1.854  -7.666
  214    H    TRP  24           H        TRP  24  -1.705   0.261  -5.926
  215    HA   TRP  24           HA       TRP  24  -1.991  -0.898  -3.436
  216    HB2  TRP  24           HB2      TRP  24  -0.999   1.770  -4.446
  217    HB3  TRP  24           HB3      TRP  24  -0.832   1.272  -2.789
  218    HD1  TRP  24           HD1      TRP  24   0.964   1.120  -5.999
  219    HE1  TRP  24           HE1      TRP  24   2.982  -0.386  -5.803
  220    HE3  TRP  24           HE3      TRP  24  -0.187  -1.177  -1.642
  221    HZ2  TRP  24           HZ2      TRP  24   3.980  -2.363  -4.088
  222    HZ3  TRP  24           HZ3      TRP  24   1.331  -2.944  -0.838
  223    HH2  TRP  24           HH2      TRP  24   3.388  -3.468  -1.979
  224    H    GLU  25           H        GLU  25  -3.331  -0.484  -1.743
  225    HA   GLU  25           HA       GLU  25  -4.970   1.929  -1.636
  226    HB2  GLU  25           HB2      GLU  25  -6.125  -0.825  -2.007
  227    HB3  GLU  25           HB3      GLU  25  -6.983   0.354  -1.022
  228    HG2  GLU  25           HG2      GLU  25  -7.936   0.946  -2.947
  229    HG3  GLU  25           HG3      GLU  25  -6.438   1.839  -3.207
  230    H    LYS  26           H        LYS  26  -4.033   2.572   0.261
  231    HA   LYS  26           HA       LYS  26  -3.328   0.794   2.309
  232    HB2  LYS  26           HB2      LYS  26  -2.490   2.755   3.463
  233    HB3  LYS  26           HB3      LYS  26  -2.381   3.266   1.811
  234    HG2  LYS  26           HG2      LYS  26  -4.411   4.080   3.880
  235    HG3  LYS  26           HG3      LYS  26  -3.172   5.024   3.104
  236    HD2  LYS  26           HD2      LYS  26  -4.544   5.655   1.500
  237    HD3  LYS  26           HD3      LYS  26  -4.699   3.972   1.003
  238    HE2  LYS  26           HE2      LYS  26  -6.500   3.750   2.826
  239    HE3  LYS  26           HE3      LYS  26  -6.456   5.517   2.891
  240    HZ1  LYS  26           HZ1      LYS  26  -7.063   3.896   0.478
  241    HZ2  LYS  26           HZ2      LYS  26  -7.031   5.586   0.546
  242    HZ3  LYS  26           HZ3      LYS  26  -8.196   4.728   1.421
  243    H    ARG  27           H        ARG  27  -3.810   1.340   4.553
  244    HA   ARG  27           HA       ARG  27  -6.678   1.564   5.085
  245    HB2  ARG  27           HB2      ARG  27  -5.248  -0.772   5.385
  246    HB3  ARG  27           HB3      ARG  27  -5.180  -0.162   7.008
  247    HG2  ARG  27           HG2      ARG  27  -7.457  -1.150   5.350
  248    HG3  ARG  27           HG3      ARG  27  -7.065  -1.440   7.029
  249    HD2  ARG  27           HD2      ARG  27  -8.036   0.563   7.737
  250    HD3  ARG  27           HD3      ARG  27  -7.981   1.256   6.118
  251    HE   ARG  27           HE       ARG  27 -10.016  -0.464   7.208
  252   HH11  ARG  27          HH11      ARG  27  -8.561   0.770   4.269
  253   HH12  ARG  27          HH12      ARG  27  -9.968   0.476   3.305
  254   HH21  ARG  27          HH21      ARG  27 -11.865  -0.849   5.930
  255   HH22  ARG  27          HH22      ARG  27 -11.843  -0.442   4.247
  256    H    TRP  28           H        TRP  28  -6.975   2.231   7.303
  257    HA   TRP  28           HA       TRP  28  -4.795   3.999   8.104
  258    HB2  TRP  28           HB2      TRP  28  -6.837   5.083   7.465
  259    HB3  TRP  28           HB3      TRP  28  -7.702   4.306   8.769
  260    HD1  TRP  28           HD1      TRP  28  -8.188   5.942  10.525
  261    HE1  TRP  28           HE1      TRP  28  -7.101   7.979  11.610
  262    HE3  TRP  28           HE3      TRP  28  -3.764   6.142   7.819
  263    HZ2  TRP  28           HZ2      TRP  28  -4.743   9.479  11.376
  264    HZ3  TRP  28           HZ3      TRP  28  -2.191   7.928   8.378
  265    HH2  TRP  28           HH2      TRP  28  -2.672   9.541  10.054
  266    H    ASP  29           H        ASP  29  -4.212   1.747   8.640
  267    HA   ASP  29           HA       ASP  29  -3.669   0.111  10.194
  268    HB2  ASP  29           HB2      ASP  29  -2.453   1.068  11.794
  269    HB3  ASP  29           HB3      ASP  29  -3.040   2.600  11.175
  Start of MODEL   21
    1    H1   ARG   1           H1       ARG   1  -4.454   1.908  12.336
    2    H2   ARG   1           H2       ARG   1  -4.993   3.530  12.188
    3    H3   ARG   1           H3       ARG   1  -3.933   3.088  13.463
    4    HA   ARG   1           HA       ARG   1  -2.629   4.168  11.920
    5    HB2  ARG   1           HB2      ARG   1  -2.468   1.232  12.181
    6    HB3  ARG   1           HB3      ARG   1  -1.564   1.878  10.822
    7    HG2  ARG   1           HG2      ARG   1  -0.336   3.356  12.364
    8    HG3  ARG   1           HG3      ARG   1  -1.225   2.654  13.716
    9    HD2  ARG   1           HD2      ARG   1   0.515   1.102  11.809
   10    HD3  ARG   1           HD3      ARG   1   1.028   1.675  13.394
   11    HE   ARG   1           HE       ARG   1  -1.100   0.258  14.074
   12   HH11  ARG   1          HH11      ARG   1   1.468  -0.553  11.831
   13   HH12  ARG   1          HH12      ARG   1   1.323  -2.257  12.094
   14   HH21  ARG   1          HH21      ARG   1  -1.280  -1.988  14.415
   15   HH22  ARG   1          HH22      ARG   1  -0.234  -3.071  13.561
   16    H    TRP   2           H        TRP   2  -1.613   3.996   9.704
   17    HA   TRP   2           HA       TRP   2  -3.710   3.662   7.655
   18    HB2  TRP   2           HB2      TRP   2  -1.566   5.726   8.034
   19    HB3  TRP   2           HB3      TRP   2  -2.283   5.479   6.481
   20    HD1  TRP   2           HD1      TRP   2  -2.626   7.564   9.360
   21    HE1  TRP   2           HE1      TRP   2  -4.943   8.708   9.436
   22    HE3  TRP   2           HE3      TRP   2  -4.972   4.686   5.962
   23    HZ2  TRP   2           HZ2      TRP   2  -7.466   8.392   8.154
   24    HZ3  TRP   2           HZ3      TRP   2  -7.323   5.137   5.387
   25    HH2  TRP   2           HH2      TRP   2  -8.553   6.955   6.477
   26    H    PHE   3           H        PHE   3  -2.847   3.162   5.436
   27    HA   PHE   3           HA       PHE   3  -0.247   2.505   4.858
   28    HB2  PHE   3           HB2      PHE   3  -0.015   0.181   5.017
   29    HB3  PHE   3           HB3      PHE   3  -0.469   0.831   6.562
   30    HD1  PHE   3           HD1      PHE   3  -3.419   0.924   6.425
   31    HD2  PHE   3           HD2      PHE   3  -0.680  -1.926   4.860
   32    HE1  PHE   3           HE1      PHE   3  -5.193  -0.762   6.422
   33    HE2  PHE   3           HE2      PHE   3  -2.456  -3.631   4.858
   34    HZ   PHE   3           HZ       PHE   3  -4.723  -3.039   5.630
   35    H    TYR   4           H        TYR   4   0.109   1.275   2.960
   36    HA   TYR   4           HA       TYR   4  -2.122   1.674   1.145
   37    HB2  TYR   4           HB2      TYR   4   0.724   1.468   0.264
   38    HB3  TYR   4           HB3      TYR   4  -0.572   2.448  -0.310
   39    HD1  TYR   4           HD1      TYR   4  -0.892   3.318   2.946
   40    HD2  TYR   4           HD2      TYR   4   2.029   3.601  -0.160
   41    HE1  TYR   4           HE1      TYR   4   0.077   5.135   4.097
   42    HE2  TYR   4           HE2      TYR   4   3.016   5.500   1.026
   43    HH   TYR   4           HH       TYR   4   2.851   6.198   3.912
   44    H    PHE   5           H        PHE   5  -2.812   0.136  -0.195
   45    HA   PHE   5           HA       PHE   5  -1.545  -2.512  -0.018
   46    HB2  PHE   5           HB2      PHE   5  -3.830  -2.266   0.970
   47    HB3  PHE   5           HB3      PHE   5  -4.439  -1.898  -0.620
   48    HD1  PHE   5           HD2      PHE   5  -2.126  -4.531   0.709
   49    HD2  PHE   5           HD1      PHE   5  -5.628  -3.600  -1.515
   50    HE1  PHE   5           HE2      PHE   5  -2.441  -6.908   0.202
   51    HE2  PHE   5           HE1      PHE   5  -5.940  -5.966  -2.034
   52    HZ   PHE   5           HZ       PHE   5  -4.349  -7.607  -1.181
   53    H    ASN   6           H        ASN   6  -0.728  -3.343  -1.862
   54    HA   ASN   6           HA       ASN   6  -1.540  -2.054  -4.365
   55    HB2  ASN   6           HB2      ASN   6   0.931  -2.148  -3.790
   56    HB3  ASN   6           HB3      ASN   6   0.829  -3.885  -3.836
   57   HD21  ASN   6          HD21      ASN   6  -0.030  -1.058  -5.878
   58   HD22  ASN   6          HD22      ASN   6   0.487  -1.761  -7.366
   59    H    ARG   7           H        ARG   7  -3.472  -3.062  -4.523
   60    HA   ARG   7           HA       ARG   7  -4.202  -5.668  -4.224
   61    HB2  ARG   7           HB2      ARG   7  -6.129  -5.126  -5.440
   62    HB3  ARG   7           HB3      ARG   7  -5.560  -3.625  -4.723
   63    HG2  ARG   7           HG2      ARG   7  -4.809  -2.777  -6.687
   64    HG3  ARG   7           HG3      ARG   7  -4.725  -4.344  -7.467
   65    HD2  ARG   7           HD2      ARG   7  -7.199  -4.480  -7.459
   66    HD3  ARG   7           HD3      ARG   7  -7.263  -2.866  -6.719
   67    HE   ARG   7           HE       ARG   7  -5.747  -2.874  -9.196
   68   HH11  ARG   7          HH11      ARG   7  -9.003  -2.774  -7.867
   69   HH12  ARG   7          HH12      ARG   7  -9.671  -1.978  -9.251
   70   HH21  ARG   7          HH21      ARG   7  -6.645  -1.828 -11.003
   71   HH22  ARG   7          HH22      ARG   7  -8.333  -1.439 -11.032
   72    H    ILE   8           H        ILE   8  -2.294  -4.394  -6.806
   73    HA   ILE   8           HA       ILE   8  -2.894  -6.370  -8.762
   74    HB   ILE   8           HB       ILE   8  -0.468  -4.578  -8.444
   75   HG12  ILE   8          HG12      ILE   8  -2.961  -3.748  -9.151
   76   HG13  ILE   8          HG13      ILE   8  -1.480  -2.994  -9.705
   77   HG21  ILE   8          HG21      ILE   8   0.138  -5.139 -10.748
   78   HG22  ILE   8          HG22      ILE   8  -1.158  -6.334 -10.793
   79   HG23  ILE   8          HG23      ILE   8   0.197  -6.543  -9.683
   80   HD11  ILE   8          HD11      ILE   8  -3.549  -4.223 -11.230
   81   HD12  ILE   8          HD12      ILE   8  -2.027  -5.062 -11.532
   82   HD13  ILE   8          HD13      ILE   8  -2.138  -3.322 -11.778
   83    H    THR   9           H        THR   9  -0.228  -6.060  -6.429
   84    HA   THR   9           HA       THR   9   0.482  -8.846  -6.983
   85    HB   THR   9           HB       THR   9   2.652  -8.381  -6.162
   86    HG1  THR   9           HG1      THR   9   3.175  -6.590  -5.052
   87   HG21  THR   9          HG21      THR   9   1.866  -7.365  -8.402
   88   HG22  THR   9          HG22      THR   9   3.432  -6.900  -7.733
   89   HG23  THR   9          HG23      THR   9   2.036  -5.830  -7.552
   90    H    GLY  10           H        GLY  10  -0.810  -6.836  -4.618
   91    HA2  GLY  10           HA2      GLY  10  -2.011  -7.526  -2.735
   92    HA3  GLY  10           HA3      GLY  10  -1.169  -9.043  -2.823
   93    H    LYS  11           H        LYS  11   0.922  -6.326  -3.040
   94    HA   LYS  11           HA       LYS  11   2.015  -6.909  -0.428
   95    HB2  LYS  11           HB2      LYS  11   2.873  -5.122  -2.697
   96    HB3  LYS  11           HB3      LYS  11   3.760  -5.283  -1.194
   97    HG2  LYS  11           HG2      LYS  11   3.100  -7.647  -2.909
   98    HG3  LYS  11           HG3      LYS  11   4.537  -6.672  -3.179
   99    HD2  LYS  11           HD2      LYS  11   3.851  -8.429  -0.851
  100    HD3  LYS  11           HD3      LYS  11   5.307  -8.418  -1.842
  101    HE2  LYS  11           HE2      LYS  11   5.420  -5.933  -0.792
  102    HE3  LYS  11           HE3      LYS  11   4.598  -6.788   0.512
  103    HZ1  LYS  11           HZ1      LYS  11   7.021  -6.802   0.756
  104    HZ2  LYS  11           HZ2      LYS  11   7.172  -7.629  -0.711
  105    HZ3  LYS  11           HZ3      LYS  11   6.398  -8.367   0.600
  106    H    ARG  12           H        ARG  12   2.512  -5.110   1.095
  107    HA   ARG  12           HA       ARG  12   0.988  -2.719   0.904
  108    HB2  ARG  12           HB2      ARG  12  -0.498  -3.329   2.732
  109    HB3  ARG  12           HB3      ARG  12  -0.715  -4.364   1.351
  110    HG2  ARG  12           HG2      ARG  12   0.880  -5.098   3.788
  111    HG3  ARG  12           HG3      ARG  12  -0.814  -5.496   3.563
  112    HD2  ARG  12           HD2      ARG  12  -0.124  -7.380   2.609
  113    HD3  ARG  12           HD3      ARG  12   0.355  -6.390   1.233
  114    HE   ARG  12           HE       ARG  12   2.445  -6.328   3.063
  115   HH11  ARG  12          HH11      ARG  12   0.824  -8.698   1.060
  116   HH12  ARG  12          HH12      ARG  12   2.228  -9.697   0.893
  117   HH21  ARG  12          HH21      ARG  12   4.291  -7.648   2.838
  118   HH22  ARG  12          HH22      ARG  12   4.196  -9.101   1.900
  119    H    GLN  13           H        GLN  13   1.706  -1.162   2.379
  120    HA   GLN  13           HA       GLN  13   2.807  -1.821   4.897
  121    HB2  GLN  13           HB2      GLN  13   4.813  -0.194   3.769
  122    HB3  GLN  13           HB3      GLN  13   4.956  -1.736   4.557
  123    HG2  GLN  13           HG2      GLN  13   5.754  -2.480   2.734
  124    HG3  GLN  13           HG3      GLN  13   4.160  -2.384   2.046
  125   HE21  GLN  13          HE21      GLN  13   3.738   0.179   1.373
  126   HE22  GLN  13          HE22      GLN  13   4.999   0.777   0.364
  127    H    PHE  14           H        PHE  14   3.971   0.183   5.740
  128    HA   PHE  14           HA       PHE  14   2.036   2.372   5.732
  129    HB2  PHE  14           HB2      PHE  14   3.409   1.438   7.800
  130    HB3  PHE  14           HB3      PHE  14   4.724   2.399   7.134
  131    HD1  PHE  14           HD2      PHE  14   1.212   2.635   8.164
  132    HD2  PHE  14           HD1      PHE  14   4.904   4.635   7.693
  133    HE1  PHE  14           HE2      PHE  14   0.257   4.615   9.243
  134    HE2  PHE  14           HE1      PHE  14   3.977   6.633   8.780
  135    HZ   PHE  14           HZ       PHE  14   1.646   6.618   9.558
  136    H    GLU  15           H        GLU  15   4.934   1.446   4.151
  137    HA   GLU  15           HA       GLU  15   5.789   4.129   3.523
  138    HB2  GLU  15           HB2      GLU  15   6.995   1.696   3.871
  139    HB3  GLU  15           HB3      GLU  15   7.069   1.937   2.175
  140    HG2  GLU  15           HG2      GLU  15   7.776   4.333   3.498
  141    HG3  GLU  15           HG3      GLU  15   8.681   3.000   4.202
  142    H    ARG  16           H        ARG  16   6.737   4.111   1.319
  143    HA   ARG  16           HA       ARG  16   4.637   4.209  -0.608
  144    HB2  ARG  16           HB2      ARG  16   6.493   5.831  -0.531
  145    HB3  ARG  16           HB3      ARG  16   7.650   4.538  -0.775
  146    HG2  ARG  16           HG2      ARG  16   6.494   4.068  -2.927
  147    HG3  ARG  16           HG3      ARG  16   5.654   5.605  -2.733
  148    HD2  ARG  16           HD2      ARG  16   7.445   6.749  -3.414
  149    HD3  ARG  16           HD3      ARG  16   8.497   5.889  -2.292
  150    HE   ARG  16           HE       ARG  16   8.138   5.358  -5.095
  151   HH11  ARG  16          HH11      ARG  16   9.128   3.979  -2.029
  152   HH12  ARG  16          HH12      ARG  16  10.100   2.748  -2.759
  153   HH21  ARG  16          HH21      ARG  16   9.423   3.733  -6.046
  154   HH22  ARG  16          HH22      ARG  16  10.269   2.608  -5.037
  155    HA   PRO  17           HA       PRO  17   4.239   0.409  -2.590
  156    HB2  PRO  17           HB2      PRO  17   6.181   1.333  -4.627
  157    HB3  PRO  17           HB3      PRO  17   4.552   0.701  -4.833
  158    HG2  PRO  17           HG2      PRO  17   5.378   3.459  -4.578
  159    HG3  PRO  17           HG3      PRO  17   3.764   2.825  -4.922
  160    HD2  PRO  17           HD2      PRO  17   4.354   4.105  -2.646
  161    HD3  PRO  17           HD3      PRO  17   3.229   2.746  -2.708
  162    H    LYS  18           H        LYS  18   5.055  -1.498  -2.278
  163    HA   LYS  18           HA       LYS  18   7.579  -1.969  -1.277
  164    HB2  LYS  18           HB2      LYS  18   5.928  -3.668  -0.797
  165    HB3  LYS  18           HB3      LYS  18   5.405  -3.664  -2.480
  166    HG2  LYS  18           HG2      LYS  18   8.110  -4.436  -2.444
  167    HG3  LYS  18           HG3      LYS  18   7.260  -5.395  -1.236
  168    HD2  LYS  18           HD2      LYS  18   6.566  -6.692  -2.915
  169    HD3  LYS  18           HD3      LYS  18   5.567  -5.338  -3.447
  170    HE2  LYS  18           HE2      LYS  18   7.181  -4.612  -4.992
  171    HE3  LYS  18           HE3      LYS  18   8.446  -5.598  -4.260
  172    HZ1  LYS  18           HZ1      LYS  18   6.069  -6.863  -5.470
  173    HZ2  LYS  18           HZ2      LYS  18   7.604  -7.522  -5.203
  174    HZ3  LYS  18           HZ3      LYS  18   7.374  -6.387  -6.435
  175    H    GLY  19           H        GLY  19   6.296  -1.350  -4.233
  176    HA2  GLY  19           HA2      GLY  19   8.199  -0.556  -5.781
  177    HA3  GLY  19           HA3      GLY  19   8.501  -2.287  -5.862
  178    H    LEU  20           H        LEU  20   5.216  -0.666  -5.740
  179    HA   LEU  20           HA       LEU  20   4.917  -1.292  -8.592
  180    HB2  LEU  20           HB2      LEU  20   3.239  -2.652  -6.543
  181    HB3  LEU  20           HB3      LEU  20   2.949  -2.723  -8.259
  182    HG   LEU  20           HG       LEU  20   5.633  -3.622  -7.502
  183   HD11  LEU  20          HD11      LEU  20   4.557  -5.869  -6.755
  184   HD12  LEU  20          HD12      LEU  20   3.238  -4.825  -6.229
  185   HD13  LEU  20          HD13      LEU  20   4.861  -4.587  -5.584
  186   HD21  LEU  20          HD21      LEU  20   3.366  -4.780  -9.107
  187   HD22  LEU  20          HD22      LEU  20   4.960  -5.519  -8.950
  188   HD23  LEU  20          HD23      LEU  20   4.791  -3.944  -9.724
  189    H    VAL  21           H        VAL  21   4.823   1.165  -7.798
  190    HA   VAL  21           HA       VAL  21   3.144   2.817  -6.916
  191    HB   VAL  21           HB       VAL  21   2.974   3.872  -9.053
  192   HG11  VAL  21          HG11      VAL  21   4.711   4.333  -7.305
  193   HG12  VAL  21          HG12      VAL  21   5.240   4.657  -8.956
  194   HG13  VAL  21          HG13      VAL  21   5.735   3.170  -8.148
  195   HG21  VAL  21          HG21      VAL  21   3.831   1.305  -9.613
  196   HG22  VAL  21          HG22      VAL  21   4.973   2.468 -10.301
  197   HG23  VAL  21          HG23      VAL  21   3.261   2.534 -10.733
  198    H    LYS  22           H        LYS  22   1.863   0.642  -9.253
  199    HA   LYS  22           HA       LYS  22  -0.711   2.032  -9.222
  200    HB2  LYS  22           HB2      LYS  22  -0.122  -0.110 -11.201
  201    HB3  LYS  22           HB3      LYS  22  -1.228   1.236 -11.336
  202    HG2  LYS  22           HG2      LYS  22   0.354   1.970 -12.768
  203    HG3  LYS  22           HG3      LYS  22   1.047   2.619 -11.283
  204    HD2  LYS  22           HD2      LYS  22   2.869   1.564 -12.258
  205    HD3  LYS  22           HD3      LYS  22   2.266   0.315 -11.167
  206    HE2  LYS  22           HE2      LYS  22   0.851  -0.365 -13.287
  207    HE3  LYS  22           HE3      LYS  22   2.149   0.471 -14.139
  208    HZ1  LYS  22           HZ1      LYS  22   3.742  -0.980 -12.996
  209    HZ2  LYS  22           HZ2      LYS  22   2.654  -1.858 -13.948
  210    HZ3  LYS  22           HZ3      LYS  22   2.462  -1.814 -12.268
  211    H    GLY  23           H        GLY  23  -2.435   1.043  -8.457
  212    HA2  GLY  23           HA2      GLY  23  -3.686  -1.100  -8.025
  213    HA3  GLY  23           HA3      GLY  23  -2.134  -1.806  -7.637
  214    H    TRP  24           H        TRP  24  -1.405   0.823  -6.283
  215    HA   TRP  24           HA       TRP  24  -1.840   0.066  -3.682
  216    HB2  TRP  24           HB2      TRP  24  -1.028   2.700  -4.905
  217    HB3  TRP  24           HB3      TRP  24  -0.920   2.341  -3.202
  218    HD1  TRP  24           HD1      TRP  24   1.149   2.267  -6.188
  219    HE1  TRP  24           HE1      TRP  24   3.160   0.756  -5.878
  220    HE3  TRP  24           HE3      TRP  24  -0.273  -0.166  -1.916
  221    HZ2  TRP  24           HZ2      TRP  24   4.049  -1.259  -4.129
  222    HZ3  TRP  24           HZ3      TRP  24   1.208  -1.936  -1.046
  223    HH2  TRP  24           HH2      TRP  24   3.339  -2.424  -2.097
  224    H    GLU  25           H        GLU  25  -3.250   0.557  -2.125
  225    HA   GLU  25           HA       GLU  25  -5.159   2.726  -2.468
  226    HB2  GLU  25           HB2      GLU  25  -5.956  -0.168  -2.515
  227    HB3  GLU  25           HB3      GLU  25  -7.002   0.995  -1.717
  228    HG2  GLU  25           HG2      GLU  25  -7.922   1.278  -3.718
  229    HG3  GLU  25           HG3      GLU  25  -6.490   2.238  -4.085
  230    H    LYS  26           H        LYS  26  -4.404   3.729  -0.676
  231    HA   LYS  26           HA       LYS  26  -3.599   2.431   1.660
  232    HB2  LYS  26           HB2      LYS  26  -2.878   4.801   1.363
  233    HB3  LYS  26           HB3      LYS  26  -4.531   5.307   1.146
  234    HG2  LYS  26           HG2      LYS  26  -4.982   4.888   3.545
  235    HG3  LYS  26           HG3      LYS  26  -3.265   4.487   3.747
  236    HD2  LYS  26           HD2      LYS  26  -3.132   6.678   4.275
  237    HD3  LYS  26           HD3      LYS  26  -3.017   6.841   2.514
  238    HE2  LYS  26           HE2      LYS  26  -5.414   7.293   2.347
  239    HE3  LYS  26           HE3      LYS  26  -5.591   7.025   4.088
  240    HZ1  LYS  26           HZ1      LYS  26  -3.970   9.186   2.854
  241    HZ2  LYS  26           HZ2      LYS  26  -4.202   8.942   4.511
  242    HZ3  LYS  26           HZ3      LYS  26  -5.508   9.381   3.531
  243    H    ARG  27           H        ARG  27  -4.640   1.759   3.497
  244    HA   ARG  27           HA       ARG  27  -7.568   2.100   3.581
  245    HB2  ARG  27           HB2      ARG  27  -7.609  -0.138   3.073
  246    HB3  ARG  27           HB3      ARG  27  -5.969  -0.445   3.566
  247    HG2  ARG  27           HG2      ARG  27  -7.075  -0.186   5.974
  248    HG3  ARG  27           HG3      ARG  27  -8.512  -0.634   5.067
  249    HD2  ARG  27           HD2      ARG  27  -6.308  -2.286   5.934
  250    HD3  ARG  27           HD3      ARG  27  -7.917  -2.736   5.392
  251    HE   ARG  27           HE       ARG  27  -5.579  -2.349   3.658
  252   HH11  ARG  27          HH11      ARG  27  -8.833  -3.575   4.120
  253   HH12  ARG  27          HH12      ARG  27  -8.825  -4.478   2.645
  254   HH21  ARG  27          HH21      ARG  27  -5.586  -3.541   1.723
  255   HH22  ARG  27          HH22      ARG  27  -6.987  -4.459   1.285
  256    H    TRP  28           H        TRP  28  -8.550   2.249   5.486
  257    HA   TRP  28           HA       TRP  28  -7.017   3.368   7.630
  258    HB2  TRP  28           HB2      TRP  28  -9.296   4.165   7.090
  259    HB3  TRP  28           HB3      TRP  28  -9.946   2.602   7.558
  260    HD1  TRP  28           HD1      TRP  28 -11.328   3.265   9.619
  261    HE1  TRP  28           HE1      TRP  28 -10.807   4.300  11.899
  262    HE3  TRP  28           HE3      TRP  28  -6.485   4.659   8.780
  263    HZ2  TRP  28           HZ2      TRP  28  -8.628   5.555  13.189
  264    HZ3  TRP  28           HZ3      TRP  28  -5.254   5.777  10.591
  265    HH2  TRP  28           HH2      TRP  28  -6.304   6.215  12.750
  266    H    ASP  29           H        ASP  29  -6.117   2.356   9.274
  267    HA   ASP  29           HA       ASP  29  -6.941  -0.418   9.861
  268    HB2  ASP  29           HB2      ASP  29  -4.545   0.043   8.998
  269    HB3  ASP  29           HB3      ASP  29  -4.236   0.708  10.595
  Start of MODEL   22
    1    H1   ARG   1           H1       ARG   1  -5.337   3.083  11.634
    2    H2   ARG   1           H2       ARG   1  -4.439   3.276  13.083
    3    H3   ARG   1           H3       ARG   1  -4.338   1.811  12.196
    4    HA   ARG   1           HA       ARG   1  -3.178   4.430  11.647
    5    HB2  ARG   1           HB2      ARG   1  -2.304   1.832  12.425
    6    HB3  ARG   1           HB3      ARG   1  -1.723   2.078  10.788
    7    HG2  ARG   1           HG2      ARG   1  -0.732   4.273  11.626
    8    HG3  ARG   1           HG3      ARG   1  -1.076   3.674  13.254
    9    HD2  ARG   1           HD2      ARG   1   0.164   1.535  12.063
   10    HD3  ARG   1           HD3      ARG   1   1.017   2.912  11.367
   11    HE   ARG   1           HE       ARG   1   1.081   2.020  14.112
   12   HH11  ARG   1          HH11      ARG   1   1.693   4.692  11.929
   13   HH12  ARG   1          HH12      ARG   1   2.812   5.467  12.998
   14   HH21  ARG   1          HH21      ARG   1   2.555   3.048  15.514
   15   HH22  ARG   1          HH22      ARG   1   3.302   4.535  15.032
   16    H    TRP   2           H        TRP   2  -2.219   4.759   9.535
   17    HA   TRP   2           HA       TRP   2  -3.980   3.803   7.398
   18    HB2  TRP   2           HB2      TRP   2  -2.181   6.204   7.660
   19    HB3  TRP   2           HB3      TRP   2  -2.884   5.751   6.148
   20    HD1  TRP   2           HD1      TRP   2  -3.538   7.821   9.030
   21    HE1  TRP   2           HE1      TRP   2  -6.001   8.605   9.072
   22    HE3  TRP   2           HE3      TRP   2  -5.361   4.659   5.557
   23    HZ2  TRP   2           HZ2      TRP   2  -8.427   7.921   7.747
   24    HZ3  TRP   2           HZ3      TRP   2  -7.757   4.749   4.962
   25    HH2  TRP   2           HH2      TRP   2  -9.258   6.352   6.042
   26    H    PHE   3           H        PHE   3  -3.037   3.264   5.304
   27    HA   PHE   3           HA       PHE   3  -0.323   2.951   4.814
   28    HB2  PHE   3           HB2      PHE   3   0.103   0.629   5.062
   29    HB3  PHE   3           HB3      PHE   3  -0.435   1.298   6.568
   30    HD1  PHE   3           HD2      PHE   3  -3.219   1.137   6.700
   31    HD2  PHE   3           HD1      PHE   3  -0.548  -1.446   4.624
   32    HE1  PHE   3           HE2      PHE   3  -4.936  -0.634   6.707
   33    HE2  PHE   3           HE1      PHE   3  -2.262  -3.220   4.636
   34    HZ   PHE   3           HZ       PHE   3  -4.454  -2.814   5.678
   35    H    TYR   4           H        TYR   4   0.137   1.453   2.967
   36    HA   TYR   4           HA       TYR   4  -2.014   1.843   1.062
   37    HB2  TYR   4           HB2      TYR   4   0.795   1.346   0.246
   38    HB3  TYR   4           HB3      TYR   4  -0.377   2.476  -0.337
   39    HD1  TYR   4           HD2      TYR   4  -0.779   3.568   2.736
   40    HD2  TYR   4           HD1      TYR   4   2.465   3.083   0.022
   41    HE1  TYR   4           HE2      TYR   4   0.371   5.318   3.868
   42    HE2  TYR   4           HE1      TYR   4   3.664   4.874   1.183
   43    HH   TYR   4           HH       TYR   4   3.263   5.866   3.993
   44    H    PHE   5           H        PHE   5  -2.697   0.294  -0.310
   45    HA   PHE   5           HA       PHE   5  -1.659  -2.427   0.098
   46    HB2  PHE   5           HB2      PHE   5  -3.885  -1.991   1.104
   47    HB3  PHE   5           HB3      PHE   5  -4.509  -1.637  -0.481
   48    HD1  PHE   5           HD2      PHE   5  -2.389  -4.368   0.951
   49    HD2  PHE   5           HD1      PHE   5  -5.785  -3.284  -1.364
   50    HE1  PHE   5           HE2      PHE   5  -2.862  -6.738   0.532
   51    HE2  PHE   5           HE1      PHE   5  -6.252  -5.642  -1.805
   52    HZ   PHE   5           HZ       PHE   5  -4.793  -7.364  -0.848
   53    H    ASN   6           H        ASN   6  -1.049  -3.515  -1.677
   54    HA   ASN   6           HA       ASN   6  -1.827  -2.373  -4.275
   55    HB2  ASN   6           HB2      ASN   6   0.629  -2.581  -3.919
   56    HB3  ASN   6           HB3      ASN   6   0.446  -4.268  -3.534
   57   HD21  ASN   6          HD21      ASN   6  -0.739  -2.075  -6.091
   58   HD22  ASN   6          HD22      ASN   6  -0.324  -3.090  -7.419
   59    H    ARG   7           H        ARG   7  -3.771  -3.290  -4.717
   60    HA   ARG   7           HA       ARG   7  -4.588  -5.840  -4.045
   61    HB2  ARG   7           HB2      ARG   7  -5.363  -3.432  -5.345
   62    HB3  ARG   7           HB3      ARG   7  -5.941  -4.775  -6.235
   63    HG2  ARG   7           HG2      ARG   7  -6.467  -4.470  -3.296
   64    HG3  ARG   7           HG3      ARG   7  -7.420  -3.677  -4.528
   65    HD2  ARG   7           HD2      ARG   7  -8.122  -5.762  -5.497
   66    HD3  ARG   7           HD3      ARG   7  -6.966  -6.658  -4.489
   67    HE   ARG   7           HE       ARG   7  -8.909  -5.152  -2.918
   68   HH11  ARG   7          HH11      ARG   7  -8.338  -8.167  -4.642
   69   HH12  ARG   7          HH12      ARG   7  -9.498  -9.055  -3.714
   70   HH21  ARG   7          HH21      ARG   7 -10.427  -6.340  -1.711
   71   HH22  ARG   7          HH22      ARG   7 -10.683  -8.019  -2.050
   72    H    ILE   8           H        ILE   8  -2.240  -5.063  -6.334
   73    HA   ILE   8           HA       ILE   8  -3.059  -7.019  -8.319
   74    HB   ILE   8           HB       ILE   8  -0.513  -5.386  -8.074
   75   HG12  ILE   8          HG12      ILE   8  -2.937  -4.350  -8.697
   76   HG13  ILE   8          HG13      ILE   8  -1.419  -3.728  -9.316
   77   HG21  ILE   8          HG21      ILE   8  -0.118  -7.456  -9.296
   78   HG22  ILE   8          HG22      ILE   8   0.018  -6.045 -10.344
   79   HG23  ILE   8          HG23      ILE   8  -1.426  -7.053 -10.411
   80   HD11  ILE   8          HD11      ILE   8  -2.236  -3.978 -11.348
   81   HD12  ILE   8          HD12      ILE   8  -3.646  -4.843 -10.740
   82   HD13  ILE   8          HD13      ILE   8  -2.166  -5.724 -11.121
   83    H    THR   9           H        THR   9  -0.356  -6.581  -6.037
   84    HA   THR   9           HA       THR   9   0.312  -9.407  -6.309
   85    HB   THR   9           HB       THR   9   2.420  -8.893  -5.310
   86    HG1  THR   9           HG1      THR   9   2.858  -6.835  -4.485
   87   HG21  THR   9          HG21      THR   9   3.356  -7.645  -6.961
   88   HG22  THR   9          HG22      THR   9   2.057  -6.448  -6.934
   89   HG23  THR   9          HG23      THR   9   1.796  -8.015  -7.701
   90    H    GLY  10           H        GLY  10  -1.090  -7.210  -4.172
   91    HA2  GLY  10           HA2      GLY  10  -2.448  -7.700  -2.338
   92    HA3  GLY  10           HA3      GLY  10  -1.727  -9.278  -2.295
   93    H    LYS  11           H        LYS  11   0.550  -6.698  -2.474
   94    HA   LYS  11           HA       LYS  11   1.377  -7.198   0.257
   95    HB2  LYS  11           HB2      LYS  11   2.610  -5.794  -2.097
   96    HB3  LYS  11           HB3      LYS  11   3.364  -5.860  -0.515
   97    HG2  LYS  11           HG2      LYS  11   2.571  -8.324  -2.016
   98    HG3  LYS  11           HG3      LYS  11   4.113  -7.523  -2.293
   99    HD2  LYS  11           HD2      LYS  11   3.112  -8.833   0.218
  100    HD3  LYS  11           HD3      LYS  11   4.536  -9.246  -0.732
  101    HE2  LYS  11           HE2      LYS  11   5.698  -8.023   0.729
  102    HE3  LYS  11           HE3      LYS  11   4.981  -6.612  -0.047
  103    HZ1  LYS  11           HZ1      LYS  11   3.055  -7.145   1.640
  104    HZ2  LYS  11           HZ2      LYS  11   4.400  -6.231   2.105
  105    HZ3  LYS  11           HZ3      LYS  11   4.312  -7.871   2.510
  106    H    ARG  12           H        ARG  12   2.147  -5.183   1.477
  107    HA   ARG  12           HA       ARG  12   0.902  -2.716   1.032
  108    HB2  ARG  12           HB2      ARG  12  -0.773  -2.928   2.765
  109    HB3  ARG  12           HB3      ARG  12  -1.028  -4.062   1.478
  110    HG2  ARG  12           HG2      ARG  12   0.008  -5.788   2.907
  111    HG3  ARG  12           HG3      ARG  12   0.061  -4.631   4.216
  112    HD2  ARG  12           HD2      ARG  12  -2.537  -4.419   3.496
  113    HD3  ARG  12           HD3      ARG  12  -2.221  -6.076   2.994
  114    HE   ARG  12           HE       ARG  12  -2.374  -5.179   5.784
  115   HH11  ARG  12          HH11      ARG  12  -1.197  -7.654   3.577
  116   HH12  ARG  12          HH12      ARG  12  -1.114  -8.868   4.807
  117   HH21  ARG  12          HH21      ARG  12  -2.256  -6.783   7.373
  118   HH22  ARG  12          HH22      ARG  12  -1.716  -8.375   6.960
  119    H    GLN  13           H        GLN  13   1.640  -1.144   2.506
  120    HA   GLN  13           HA       GLN  13   2.499  -1.666   5.128
  121    HB2  GLN  13           HB2      GLN  13   4.808  -0.593   4.288
  122    HB3  GLN  13           HB3      GLN  13   4.589  -2.273   4.704
  123    HG2  GLN  13           HG2      GLN  13   5.731  -2.240   2.754
  124    HG3  GLN  13           HG3      GLN  13   4.074  -2.561   2.252
  125   HE21  GLN  13          HE21      GLN  13   5.957  -1.406   0.413
  126   HE22  GLN  13          HE22      GLN  13   5.461   0.215   0.124
  127    H    PHE  14           H        PHE  14   4.000   0.266   5.748
  128    HA   PHE  14           HA       PHE  14   2.416   2.669   5.222
  129    HB2  PHE  14           HB2      PHE  14   3.288   1.771   7.586
  130    HB3  PHE  14           HB3      PHE  14   4.754   2.612   7.111
  131    HD1  PHE  14           HD1      PHE  14   1.146   3.414   6.773
  132    HD2  PHE  14           HD2      PHE  14   4.939   4.586   8.256
  133    HE1  PHE  14           HE1      PHE  14   0.175   5.533   7.556
  134    HE2  PHE  14           HE2      PHE  14   3.988   6.706   9.047
  135    HZ   PHE  14           HZ       PHE  14   1.604   7.173   8.694
  136    H    GLU  15           H        GLU  15   5.227   1.160   4.131
  137    HA   GLU  15           HA       GLU  15   6.816   3.500   3.627
  138    HB2  GLU  15           HB2      GLU  15   7.265   0.814   3.849
  139    HB3  GLU  15           HB3      GLU  15   7.436   1.091   2.165
  140    HG2  GLU  15           HG2      GLU  15   8.786   3.122   3.598
  141    HG3  GLU  15           HG3      GLU  15   9.252   1.556   4.244
  142    H    ARG  16           H        ARG  16   7.837   3.305   1.421
  143    HA   ARG  16           HA       ARG  16   6.145   4.383  -0.518
  144    HB2  ARG  16           HB2      ARG  16   8.531   4.743  -0.558
  145    HB3  ARG  16           HB3      ARG  16   8.844   3.021  -0.632
  146    HG2  ARG  16           HG2      ARG  16   7.807   2.928  -2.813
  147    HG3  ARG  16           HG3      ARG  16   7.579   4.675  -2.793
  148    HD2  ARG  16           HD2      ARG  16  10.308   3.586  -2.304
  149    HD3  ARG  16           HD3      ARG  16   9.684   3.560  -3.952
  150    HE   ARG  16           HE       ARG  16   9.317   6.122  -2.817
  151   HH11  ARG  16          HH11      ARG  16  11.837   4.047  -4.086
  152   HH12  ARG  16          HH12      ARG  16  12.848   5.366  -4.569
  153   HH21  ARG  16          HH21      ARG  16  10.654   7.854  -3.456
  154   HH22  ARG  16          HH22      ARG  16  12.178   7.527  -4.211
  155    HA   PRO  17           HA       PRO  17   3.847   0.832  -1.875
  156    HB2  PRO  17           HB2      PRO  17   4.747   1.490  -4.634
  157    HB3  PRO  17           HB3      PRO  17   3.130   1.146  -4.032
  158    HG2  PRO  17           HG2      PRO  17   3.937   3.645  -4.566
  159    HG3  PRO  17           HG3      PRO  17   2.823   3.275  -3.238
  160    HD2  PRO  17           HD2      PRO  17   5.673   4.060  -3.138
  161    HD3  PRO  17           HD3      PRO  17   4.413   4.231  -1.945
  162    H    LYS  18           H        LYS  18   4.370  -1.250  -2.009
  163    HA   LYS  18           HA       LYS  18   7.086  -2.074  -2.092
  164    HB2  LYS  18           HB2      LYS  18   4.763  -3.321  -1.217
  165    HB3  LYS  18           HB3      LYS  18   5.134  -4.212  -2.681
  166    HG2  LYS  18           HG2      LYS  18   6.601  -4.055  -0.111
  167    HG3  LYS  18           HG3      LYS  18   6.238  -5.450  -1.125
  168    HD2  LYS  18           HD2      LYS  18   7.900  -4.594  -2.780
  169    HD3  LYS  18           HD3      LYS  18   8.333  -3.335  -1.622
  170    HE2  LYS  18           HE2      LYS  18   9.688  -4.732  -0.551
  171    HE3  LYS  18           HE3      LYS  18   8.369  -5.878  -0.313
  172    HZ1  LYS  18           HZ1      LYS  18  10.211  -6.877  -1.515
  173    HZ2  LYS  18           HZ2      LYS  18  10.090  -5.705  -2.729
  174    HZ3  LYS  18           HZ3      LYS  18   8.831  -6.810  -2.493
  175    H    GLY  19           H        GLY  19   7.164  -0.719  -4.083
  176    HA2  GLY  19           HA2      GLY  19   8.260  -1.635  -6.206
  177    HA3  GLY  19           HA3      GLY  19   6.631  -2.190  -6.548
  178    H    LEU  20           H        LEU  20   6.268   0.841  -4.951
  179    HA   LEU  20           HA       LEU  20   5.509   2.835  -5.820
  180    HB2  LEU  20           HB2      LEU  20   8.181   2.307  -6.629
  181    HB3  LEU  20           HB3      LEU  20   7.416   3.202  -7.914
  182    HG   LEU  20           HG       LEU  20   7.522   4.188  -5.046
  183   HD11  LEU  20          HD11      LEU  20   9.377   5.594  -5.752
  184   HD12  LEU  20          HD12      LEU  20   9.385   4.805  -7.329
  185   HD13  LEU  20          HD13      LEU  20   9.782   3.882  -5.880
  186   HD21  LEU  20          HD21      LEU  20   6.104   5.731  -5.853
  187   HD22  LEU  20          HD22      LEU  20   6.302   5.149  -7.509
  188   HD23  LEU  20          HD23      LEU  20   7.444   6.311  -6.840
  189    H    VAL  21           H        VAL  21   3.845   1.227  -6.723
  190    HA   VAL  21           HA       VAL  21   3.502   1.692  -9.536
  191    HB   VAL  21           HB       VAL  21   2.340  -0.831  -8.651
  192   HG11  VAL  21          HG11      VAL  21   4.015  -1.069 -10.932
  193   HG12  VAL  21          HG12      VAL  21   3.115   0.438 -11.102
  194   HG13  VAL  21          HG13      VAL  21   2.252  -1.083 -10.872
  195   HG21  VAL  21          HG21      VAL  21   4.230  -1.993  -8.396
  196   HG22  VAL  21          HG22      VAL  21   4.682  -0.463  -7.662
  197   HG23  VAL  21          HG23      VAL  21   5.198  -0.833  -9.295
  198    H    LYS  22           H        LYS  22   1.354   0.556 -10.088
  199    HA   LYS  22           HA       LYS  22  -0.754   2.202  -8.932
  200    HB2  LYS  22           HB2      LYS  22  -0.535   0.627 -11.506
  201    HB3  LYS  22           HB3      LYS  22  -2.068   1.273 -10.938
  202    HG2  LYS  22           HG2      LYS  22  -1.559   3.368 -11.549
  203    HG3  LYS  22           HG3      LYS  22   0.118   3.225 -11.022
  204    HD2  LYS  22           HD2      LYS  22   0.599   3.230 -13.213
  205    HD3  LYS  22           HD3      LYS  22   0.064   1.550 -13.179
  206    HE2  LYS  22           HE2      LYS  22  -1.148   2.450 -14.944
  207    HE3  LYS  22           HE3      LYS  22  -2.288   2.524 -13.602
  208    HZ1  LYS  22           HZ1      LYS  22  -2.224   4.579 -14.915
  209    HZ2  LYS  22           HZ2      LYS  22  -0.596   4.790 -14.510
  210    HZ3  LYS  22           HZ3      LYS  22  -1.781   4.843 -13.304
  211    H    GLY  23           H        GLY  23  -2.981   0.887  -8.870
  212    HA2  GLY  23           HA2      GLY  23  -4.076  -1.221  -8.182
  213    HA3  GLY  23           HA3      GLY  23  -2.476  -1.907  -7.978
  214    H    TRP  24           H        TRP  24  -1.421   0.321  -6.579
  215    HA   TRP  24           HA       TRP  24  -1.791  -0.352  -3.938
  216    HB2  TRP  24           HB2      TRP  24  -0.539   1.961  -5.420
  217    HB3  TRP  24           HB3      TRP  24  -0.417   1.793  -3.690
  218    HD1  TRP  24           HD1      TRP  24   1.308   0.710  -6.798
  219    HE1  TRP  24           HE1      TRP  24   3.079  -0.999  -6.233
  220    HE3  TRP  24           HE3      TRP  24  -0.105  -0.382  -2.019
  221    HZ2  TRP  24           HZ2      TRP  24   3.791  -2.675  -4.112
  222    HZ3  TRP  24           HZ3      TRP  24   1.148  -2.144  -0.845
  223    HH2  TRP  24           HH2      TRP  24   3.072  -3.193  -1.836
  224    H    GLU  25           H        GLU  25  -3.092   0.490  -2.298
  225    HA   GLU  25           HA       GLU  25  -4.485   3.018  -2.731
  226    HB2  GLU  25           HB2      GLU  25  -5.886   0.365  -2.703
  227    HB3  GLU  25           HB3      GLU  25  -6.664   1.741  -1.936
  228    HG2  GLU  25           HG2      GLU  25  -7.505   2.179  -3.942
  229    HG3  GLU  25           HG3      GLU  25  -5.900   2.786  -4.344
  230    H    LYS  26           H        LYS  26  -4.243   4.124  -0.878
  231    HA   LYS  26           HA       LYS  26  -3.424   2.793   1.482
  232    HB2  LYS  26           HB2      LYS  26  -2.631   5.151   1.229
  233    HB3  LYS  26           HB3      LYS  26  -4.258   5.692   0.956
  234    HG2  LYS  26           HG2      LYS  26  -4.856   5.396   3.271
  235    HG3  LYS  26           HG3      LYS  26  -3.269   4.702   3.625
  236    HD2  LYS  26           HD2      LYS  26  -3.445   7.410   2.367
  237    HD3  LYS  26           HD3      LYS  26  -3.762   7.222   4.100
  238    HE2  LYS  26           HE2      LYS  26  -1.558   6.070   4.352
  239    HE3  LYS  26           HE3      LYS  26  -1.245   6.405   2.643
  240    HZ1  LYS  26           HZ1      LYS  26  -0.196   8.044   4.058
  241    HZ2  LYS  26           HZ2      LYS  26  -1.684   8.449   4.752
  242    HZ3  LYS  26           HZ3      LYS  26  -1.398   8.774   3.116
  243    H    ARG  27           H        ARG  27  -4.556   1.915   3.066
  244    HA   ARG  27           HA       ARG  27  -7.430   2.525   3.299
  245    HB2  ARG  27           HB2      ARG  27  -6.346   0.140   2.456
  246    HB3  ARG  27           HB3      ARG  27  -6.691  -0.239   4.102
  247    HG2  ARG  27           HG2      ARG  27  -8.454   0.407   1.779
  248    HG3  ARG  27           HG3      ARG  27  -8.592  -0.873   2.963
  249    HD2  ARG  27           HD2      ARG  27  -9.428   0.708   4.630
  250    HD3  ARG  27           HD3      ARG  27  -9.198   2.037   3.497
  251    HE   ARG  27           HE       ARG  27 -10.938   0.286   2.257
  252   HH11  ARG  27          HH11      ARG  27 -10.892   2.074   5.266
  253   HH12  ARG  27          HH12      ARG  27 -12.615   2.220   5.343
  254   HH21  ARG  27          HH21      ARG  27 -13.200   0.479   2.363
  255   HH22  ARG  27          HH22      ARG  27 -13.927   1.313   3.695
  256    H    TRP  28           H        TRP  28  -8.265   1.648   5.383
  257    HA   TRP  28           HA       TRP  28  -6.744   2.773   7.561
  258    HB2  TRP  28           HB2      TRP  28  -9.231   3.125   7.206
  259    HB3  TRP  28           HB3      TRP  28  -9.459   1.456   7.693
  260    HD1  TRP  28           HD1      TRP  28 -10.557   1.636   9.966
  261    HE1  TRP  28           HE1      TRP  28 -10.024   2.789  12.187
  262    HE3  TRP  28           HE3      TRP  28  -6.543   4.409   8.474
  263    HZ2  TRP  28           HZ2      TRP  28  -8.143   4.649  13.189
  264    HZ3  TRP  28           HZ3      TRP  28  -5.434   5.856  10.125
  265    HH2  TRP  28           HH2      TRP  28  -6.218   5.974  12.432
  266    H    ASP  29           H        ASP  29  -6.249   1.701   9.521
  267    HA   ASP  29           HA       ASP  29  -6.113  -1.239   9.335
  268    HB2  ASP  29           HB2      ASP  29  -3.894   0.094   9.141
  269    HB3  ASP  29           HB3      ASP  29  -4.077   0.378  10.853