1 GLU 1 999.9900 1.1195 999.9900 -1.0323 .7127 .2666 .3013 .5972 .4627 .3397
2 ALA 2 -1.6732 999.9900 999.9900 999.9900 -1.1070 -1.3901 -.5270 .3669 -.0055 -.7351
3 GLU 3 -1.2298 .6046 999.9900 .3501 .2865 .0028 -.5915 .4300 .0043 -.0250
4 VAL 4 .0815 999.9900 -.2457 999.9900 -1.5772 -.5805 .3472 .5162 .4458 -.1756
5 HIS 5 -.3517 .2773 999.9900 999.9900 -.6493 -.2412 .3030 .3234 .3149 -.0195
6 ASN 6 -.6931 -.8859 999.9900 999.9900 -.1777 -.5856 .5223 .2737 .3773 -.1921
7 GLN 7 -1.5899 -1.3908 999.9900 1.3059 1.1269 -.1370 .0742 .5404 .3461 .0111
8 LEU 8 -.1775 -1.9980 999.9900 999.9900 .6258 -.5166 -.5155 .3615 -.0039 -.3407
9 GLU 9 -.4269 .8793 999.9900 -1.0323 -.1867 -.1917 -.6710 .3090 -.0993 -.1881
10 ILE 10 -.1366 .6227 999.9900 999.9900 -.8571 -.1237 .0915 .6019 .3892 .0645
11 LYS 11 -.3038 -.5490 999.9900 .3240 .0525 -.0305 -.3699 -.1089 -.2176 -.0901
12 PHE 12 -.2457 .2875 999.9900 999.9900 .5495 .1971 .0334 .5982 .3629 .2446
13 ARG 13 -.8609 .8164 999.9900 .1593 .9385 .2425 .1368 .5863 .3990 .2765
14 LEU 14 -.4371 -1.6805 999.9900 999.9900 .8331 -.4281 .1190 .4683 .3227 -.1394
15 THR 15 -.1166 999.9900 -.8810 999.9900 .6112 -.1288 .5344 .3526 .4283 .1001
16 ASP 16 .0771 -2.4630 999.9900 999.9900 .5121 -.6246 .6177 .6114 .6140 -.1290
17 GLY 17 .6263 999.9900 999.9900 999.9900 .4883 .5573 -.6853 .6814 .0739 .2777
18 SER 18 -.5255 999.9900 .3727 999.9900 -.0193 -.0573 -.1807 .2838 .0903 -.0138
19 ASP 19 -.9954 -1.0518 999.9900 999.9900 .6587 -.4629 -1.1355 .3889 -.2463 -.4270
20 ILE 20 -.4035 .6227 999.9900 999.9900 .7362 .3185 .3462 .2932 .3153 .3190
21 GLY 21 -.5849 999.9900 999.9900 999.9900 -.9224 -.7537 .6599 .3887 .5092 -.1147
22 PRO 22 .6201 999.9900 999.9900 999.9900 .5793 .5997 -.1923 -.0868 -.1308 .2301
23 LYS 23 -.8010 -.5094 999.9900 .1731 .0525 -.1824 -5.5375 -.3996 -2.5404 -.9784
24 ALA 24 -1.0624 999.9900 999.9900 999.9900 .8018 -.1303 .1778 .5883 .4173 .1264
25 PHE 25 -.2986 -.0090 999.9900 999.9900 -2.2412 -.8496 -.0110 .4455 .2553 -.4229
26 PRO 26 .1514 999.9900 999.9900 999.9900 .2989 .2251 .2812 .5216 .4215 .3133
27 ASP 27 .8349 -1.0518 999.9900 999.9900 .5121 .0984 .6632 .6901 .6789 .3297
28 ALA 28 -.6970 999.9900 999.9900 999.9900 .0212 -.3379 .5075 .6326 .5805 .1161
29 THR 29 -.0745 999.9900 .8779 999.9900 -.7236 .0266 .0878 .4181 .2805 .1172
30 THR 30 -.1761 999.9900 .0483 999.9900 -.1184 -.0821 .3534 .6685 .5372 .1551
31 VAL 31 -.2252 999.9900 .7395 999.9900 -.4490 .0217 .5349 .4709 .4976 .2142
32 SER 32 .9076 999.9900 -.7153 999.9900 .1597 .1173 .4978 .5989 .5567 .2897
33 ALA 33 .2107 999.9900 999.9900 999.9900 -1.1070 -.4482 .6214 .6714 .6506 .0991
34 LEU 34 .9913 .5315 999.9900 999.9900 -.7775 .2484 -.0392 -.1247 -.0891 .1163
35 LYS 35 .9451 .3935 999.9900 .3546 .5062 .5108 .6295 .6333 .6317 .5453
36 GLU 36 .8604 .6687 999.9900 -1.0323 .2865 .1958 .5682 .6352 .6073 .3311
37 THR 37 1.2375 999.9900 1.0667 999.9900 -.1184 .7286 .5556 .6071 .5857 .6697
38 VAL 38 .9834 999.9900 .1416 999.9900 .7394 .6215 .5237 .5438 .5354 .5864
39 ILE 39 .0556 -.2247 999.9900 999.9900 .3195 .0501 -.0347 .4362 .2400 .1104
40 SER 40 .8760 999.9900 -.7153 999.9900 .1597 .1068 .4466 .6099 .5418 .2754
41 GLU 41 -.6642 .4305 999.9900 .3501 .0339 .0376 .1582 .5792 .4038 .1480
42 TRP 42 -.2197 -.4963 999.9900 999.9900 .7198 .0012 .6019 .2103 .3735 .1632
43 PRO 43 -.9386 999.9900 999.9900 999.9900 .7618 -.0884 .3680 .4322 .4054 .1559
44 ARG 44 .2784 .7735 999.9900 .5548 .5640 .5451 .6371 .4951 .5542 .5511
45 GLU 45 -.4919 -.2267 999.9900 -1.0323 1.0761 -.1687 .2163 .3724 .3073 -.0144
46 LYS 46 -.9253 .5334 999.9900 -.0770 -.8987 -.2889 .5109 .6699 .6037 -.0377
47 GLU 47 -3.2255 .6046 999.9900 -1.0323 .6424 -.7527 .0064 .2207 .1314 -.4639
48 ASN 48 -3.4329 1.2520 999.9900 999.9900 -2.3288 -1.5032 -2.9086 -.6614 -1.5977 -1.6159
49 GLY 49 -1.8567 999.9900 999.9900 999.9900 -2.0052 -1.9310 -.7856 -1.0077 -.9090 -1.4138
50 PRO 50 .4197 999.9900 999.9900 999.9900 .4496 .4347 -.9702 .1837 -.2971 .0207
51 LYS 51 -3.5196 .8340 999.9900 1.5973 -.4103 .0197 -.0804 .4076 .2043 .0608
52 THR 52 -.5003 999.9900 .0483 999.9900 -2.7258 -1.0593 -.8822 -.2429 -.5093 -.8606
53 VAL 53 .5660 999.9900 -1.0788 999.9900 -1.5772 -.6967 .2059 -.3262 -.1045 -.4421
54 LYS 54 .8536 .6560 999.9900 .1140 -2.6618 -.1848 .5611 .4740 .5103 .0158
55 GLU 55 -.3012 -.6748 999.9900 -1.0323 .6424 -.3415 .0256 .2344 .1474 -.1843
56 VAL 56 .2313 999.9900 -1.0788 999.9900 .7394 -.0360 .1480 .4352 .3155 .0950
57 LYS 57 -.3350 1.1776 999.9900 .3546 .2547 .3613 -.0172 .5731 .3272 .3375
58 LEU 58 -.0536 -3.3760 999.9900 999.9900 -1.8015 -1.7437 -.5544 -.1715 -.3310 -1.1914
59 ILE 59 .2866 .6122 999.9900 999.9900 .4912 .4633 .0024 .1924 .1132 .3169
60 SER 60 -.4961 999.9900 .3727 999.9900 -.8619 -.3284 -.0244 .0312 .0080 -.1957
61 ALA 61 -2.8370 999.9900 999.9900 999.9900 .2428 -1.2971 .3914 .1779 .2669 -.5062
62 GLY 62 1.1448 999.9900 999.9900 999.9900 -.5578 .2935 .5673 .6327 .6037 .4468
63 LYS 63 -.2345 1.2989 999.9900 .6133 -.3378 .3906 -1.9689 .4365 -.5658 .0601
64 VAL 64 -.4192 999.9900 .4980 999.9900 .7394 .2728 -.3258 .3990 .0970 .1783
65 LEU 65 -.0766 -3.3760 999.9900 999.9900 .3346 -1.0393 -.1964 -.5097 -.3791 -.7648
66 GLU 66 -.5648 .8034 999.9900 -1.0323 -.6780 -.3679 .5368 .3793 .4450 -.0926
67 ASN 67 .6639 -.8859 999.9900 999.9900 -.0996 -.1072 .1910 .5669 .4103 .0873
68 SER 68 .4533 999.9900 -.7153 999.9900 .7576 .1652 .3268 .4987 .4270 .2642
69 LYS 69 -1.3827 1.2989 999.9900 .5131 .0525 .1990 -.0359 .6207 .3471 .2257
70 THR 70 -.4146 999.9900 -.8810 999.9900 .5490 -.2489 .2878 .4028 .3549 -.0112
71 VAL 71 1.0462 999.9900 .5873 999.9900 .3827 .6721 .2748 .4527 .3786 .5487
72 LYS 72 .2857 .8596 999.9900 1.3026 .1791 .7859 .6470 -.0930 .2153 .6405
73 ASP 73 .6201 -.2224 999.9900 999.9900 .0868 .1615 .5847 .5368 .5568 .3212
74 TYR 74 -.4151 -.0691 999.9900 999.9900 -.1498 -.2113 .3650 .5952 .4992 .0652
75 ARG 75 -1.8488 .1080 999.9900 .5548 .9385 .0615 -.4966 .5487 .1132 .0513
76 SER 76 .1787 999.9900 -.7153 999.9900 .3088 -.0759 -.5184 .0858 -.1659 -.1321
77 PRO 77 -1.6027 999.9900 999.9900 999.9900 -.8366 -1.2196 .0102 -.0051 .0013 -.6085
78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .2505 -1.7231 -.6817 -1.9072 -1.3966 -1.5516
79 SER 79 -3.7598 999.9900 -.0289 999.9900 -.0193 -1.2693 .2278 .0894 .1471 -.6981
80 ASN 80 -.4928 -.2320 999.9900 999.9900 .4840 -.0802 -.0196 .3894 .2190 .0258
81 LEU 81 -.9403 .5280 999.9900 999.9900 -1.0998 -.5040 -2.3915 .4231 -.7497 -.6961
82 ALA 82 -1.9992 999.9900 999.9900 999.9900 -1.1070 -1.5531 -1.3153 .5222 -.2434 -.9748
83 GLY 83 -.0858 999.9900 999.9900 999.9900 -.1733 -.1296 .6209 .4569 .5298 .2047
84 ALA 84 -.2598 999.9900 999.9900 999.9900 -.8374 -.5486 .0165 .6068 .3609 -.1185
85 VAL 85 -.3682 999.9900 .6672 999.9900 .6734 .3241 -.1688 .6155 .2887 .2838
86 THR 86 .2328 999.9900 .6346 999.9900 .7766 .5480 .0254 .2593 .1619 .3858
87 THR 87 .2184 999.9900 .6346 999.9900 .8957 .5829 .2011 .6541 .4654 .5208
88 MET 88 -.2651 1.0862 999.9900 .9587 -.3043 .3689 .4092 .5291 .4791 .4023
89 HIS 89 -.4125 .3722 999.9900 999.9900 -.3908 -.1437 -.5456 .5865 .1148 -.0780
90 VAL 90 .4077 999.9900 .9747 999.9900 .5521 .6448 -1.7957 .4252 -.5002 .1128
91 ILE 91 .2768 -.4094 999.9900 999.9900 -1.0155 -.3827 -1.6615 .1373 -.6122 -.5345
92 ILE 92 -.9289 -.0414 999.9900 999.9900 .6382 -.1107 -.2611 .3116 .0730 -.0563
93 GLN 93 -.5047 .6816 999.9900 1.3059 .3348 .4544 -2.3267 .0850 -.9199 -.0707
94 ALA 94 -.6837 999.9900 999.9900 999.9900 .9520 .1342 .1045 .3419 .2430 .1787
95 PRO 95 .4049 999.9900 999.9900 999.9900 -.4005 .0022 .5140 .4843 .4966 .2507
96 VAL 96 -.2252 999.9900 -1.0788 999.9900 .1378 -.3887 -.0707 .5194 .2735 -.1435
97 THR 97 -2.8292 999.9900 .7650 999.9900 .7246 -.4465 -.1173 .4715 .2261 -.1971
98 GLU 98 -.9729 -.3559 999.9900 -1.0323 .4526 -.4771 -.1695 .4453 .1891 -.2721
99 LYS 99 -.3414 -.2178 999.9900 .6177 -1.0384 -.0724 .1410 .5082 .3552 .0410
100 GLU 100 -1.2742 1.2631 999.9900 .3501 -.4821 -.0358 .5589 .2249 .3641 .1068
101 LYS 101 999.9900 -.2178 999.9900 -.4035 999.9900 -.3416 -.1140 -.9586 -.5966 -.4195
Means: -.4394 -.0112 -.0290 .2243 -.0544 -.1245 -.1099 .3280 .1449 -.0359 2.00 refined_4