1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7039 .7039 .1894 .6387 .4141 .5107
2 HIS 2 -.7145 .3722 999.9900 999.9900 -.6493 -.3306 .1509 .6077 .4174 -.0466
3 HIS 3 -.0587 .4588 999.9900 999.9900 -1.6368 -.4122 -.1470 .4101 .1780 -.1947
4 HIS 4 -.3517 -.1263 999.9900 999.9900 -1.6368 -.7049 -.2301 .5734 .2386 -.3543
5 HIS 5 -1.9498 -.4813 999.9900 999.9900 -.1902 -.8738 -.4743 .2456 -.0544 -.5700
6 HIS 6 -.2681 -1.1713 999.9900 999.9900 .5185 -.3070 -.6628 .1847 -.1684 -.2798
7 HIS 7 -.8643 -.3484 999.9900 999.9900 .1122 -.3668 -.9639 .2014 -.2842 -.3726
8 LEU 8 -1.7747 .8730 999.9900 999.9900 .2713 -.2101 -.5859 .4524 .0197 -.1528
9 GLU 9 -1.6450 -1.4588 999.9900 .3501 .4526 -.5753 -.7519 .1354 -.2343 -.4863
10 CYS 10 -1.3337 999.9900 .1296 999.9900 -1.7809 -.9950 -.2428 .3763 .1184 -.5703
11 SER 11 -.4229 999.9900 -.0289 999.9900 -.3810 -.2776 .0893 .5203 .3407 -.0447
12 SER 12 .4341 999.9900 -.0289 999.9900 -1.1621 -.2523 .6035 .2704 .4092 .0234
13 ASP 13 -2.3854 -.5059 999.9900 999.9900 -.3226 -1.0713 -.3516 -.0512 -.1764 -.7233
14 SER 14 -1.5945 999.9900 -.7153 999.9900 -1.3611 -1.2237 -.1731 .5810 .2668 -.6526
15 LEU 15 -.4108 -1.5832 999.9900 999.9900 -.9806 -.9915 -1.6330 .3359 -.4845 -.8543
16 GLN 16 -.4306 1.0195 999.9900 1.3059 -1.6155 .0698 -.8825 .4700 -.0935 -.0222
17 LEU 17 -.4416 .8730 999.9900 999.9900 -1.8015 -.4567 -3.2275 .0758 -1.3006 -.9044
18 HIS 18 -.5497 .0128 999.9900 999.9900 -.0263 -.1877 -4.1213 .5928 -1.3714 -.8183
19 ASN 19 -1.1452 -.2320 999.9900 999.9900 -1.0852 -.8208 -1.4669 -.2158 -.7371 -.8290
20 VAL 20 .4158 999.9900 .7395 999.9900 .1768 .4441 .1336 .5821 .3952 .4096
21 PHE 21 -.2560 .8308 999.9900 999.9900 -.1944 .1268 -.3806 .4884 .1263 .0977
22 VAL 22 .3116 999.9900 -.2457 999.9900 -.7002 -.2114 .0104 .4348 .2580 -.0378
23 TYR 23 .3338 -.5304 999.9900 999.9900 .7393 .1809 .5666 .5627 .5643 .3344
24 GLY 24 -3.4864 999.9900 999.9900 999.9900 -.0631 -1.7747 .5055 .6215 .5699 -.6056
25 SER 25 .9506 999.9900 .3727 999.9900 .9098 .7444 .2610 .3052 .2868 .5599
26 PHE 26 -1.9971 .5863 999.9900 999.9900 .5949 -.2720 .4380 .6555 .5649 .0555
27 GLN 27 -1.8275 .6267 999.9900 1.3059 .7898 .2237 -.1202 .3924 .1788 .1945
28 ASP 28 -1.6875 -1.4542 999.9900 999.9900 .5733 -.8561 .4510 .0524 .2185 -.4130
29 PRO 29 .4698 999.9900 999.9900 999.9900 -.5244 -.0273 .2310 .5349 .4082 .1778
30 ASP 30 .9343 -.2599 999.9900 999.9900 -.1878 .1622 .5878 .5834 .5852 .3316
31 VAL 31 .5660 999.9900 -.2457 999.9900 -.1376 .0609 .3534 .1879 .2569 .1448
32 ILE 32 .6852 -1.4972 999.9900 999.9900 -.4906 -.4342 -.4966 .2849 -.0407 -.3029
33 ASN 33 1.1117 -1.4522 999.9900 999.9900 .5940 .0845 .1972 -.4460 -.1780 .0010
34 VAL 34 -.2954 999.9900 .8055 999.9900 -.5257 -.0052 .3924 .5889 .5070 .1931
35 MET 35 .6473 -1.1064 999.9900 1.7963 -1.9874 -.1626 .4708 .3530 .4021 .0289
36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 -.9806 -2.5706 .2292 -.2581 -.0550 -1.5482
37 ASP 37 -3.3417 -.2599 999.9900 999.9900 .3772 -1.0748 -.2073 .1820 .0198 -.6499
38 ARG 38 -1.1554 1.0644 999.9900 .1593 .4407 .1337 -.1644 .6497 .3105 .1648
39 THR 39 -1.8890 999.9900 .7650 999.9900 -1.1761 -.7667 .3233 .4880 .4194 -.2978
40 PRO 40 .5449 999.9900 999.9900 999.9900 .4496 .4973 .4511 .5115 .4863 .4893
41 GLU 41 -.2789 -.3559 999.9900 .3501 -1.5390 -.4559 .2119 .5469 .4074 -.1775
42 ILE 42 .0813 -3.0500 999.9900 999.9900 -.8571 -1.2753 -.2579 .6069 .2466 -.6954
43 VAL 43 .0764 999.9900 -1.0788 999.9900 -1.0415 -.6813 .2501 .5859 .4460 -.2416
44 SER 44 -.5457 999.9900 -.7153 999.9900 .3088 -.3174 .1931 .5833 .4207 -.0352
45 ALA 45 -.7438 999.9900 999.9900 999.9900 .7881 .0221 -1.0099 .6588 -.0365 -.0767
46 THR 46 .4909 999.9900 .6346 999.9900 -.0562 .3564 -.3723 .5688 .1767 .2532
47 LEU 47 -1.4828 .5315 999.9900 999.9900 .7753 -.0587 .3132 .4538 .3952 .1182
48 PRO 48 -.2605 999.9900 999.9900 999.9900 .7944 .2669 -.0433 .5765 .3183 .2668
49 GLY 49 .6263 999.9900 999.9900 999.9900 .6270 .6267 .3760 .6970 .5543 .5816
50 PHE 50 .2240 .5510 999.9900 999.9900 .7573 .5108 .3636 .5663 .4818 .4924
51 GLN 51 -.3034 .1562 999.9900 1.3059 -1.2230 -.0161 .6136 .6327 .6247 .1970
52 ARG 52 -.4063 -1.8960 999.9900 .1593 .4837 -.3000 -1.4708 .2019 -.4951 -.3956
53 PHE 53 .1032 .1608 999.9900 999.9900 -.0962 .0559 -.1163 .3352 .1471 .0773
54 ARG 54 -.4439 -2.8571 999.9900 .5548 .5640 -.3255 -1.0294 -.4828 -.7105 -.4485
55 LEU 55 -3.3085 .3099 999.9900 999.9900 -1.8015 -1.6000 .5156 -.4541 -.0501 -.9477
56 LYS 56 -2.7709 .8340 999.9900 .9312 -.1497 -.0448 .2153 .1379 .1702 .0184
57 GLY 57 -2.1575 999.9900 999.9900 999.9900 .0036 -1.0769 .0311 .4550 .2666 -.4169
58 ARG 58 -1.6049 -1.8960 999.9900 .5548 .0662 -.4650 -.3241 .4887 .1500 -.3086
59 LEU 59 -1.2649 .3099 999.9900 999.9900 -1.5756 -.8435 -1.5648 .2945 -.4802 -.7602
60 TYR 60 -1.0108 .2608 999.9900 999.9900 -.7591 -.5030 .4641 .0127 .2008 -.2065
61 PRO 61 -2.5362 999.9900 999.9900 999.9900 -1.6867 -2.1115 .0500 .0868 .0714 -1.0215
62 CYS 62 -.0229 999.9900 .1296 999.9900 .8268 .3112 .2878 .5233 .4252 .3489
63 ILE 63 .0813 -.0177 999.9900 999.9900 -1.4322 -.4562 -.0147 .4816 .2748 -.1803
64 VAL 64 -.3288 999.9900 -1.0788 999.9900 .5776 -.2767 .4046 .0418 .1930 -.0767
65 PRO 65 -.0828 999.9900 999.9900 999.9900 .9143 .4157 .0023 .3899 .2284 .3059
66 SER 66 -.3484 999.9900 .3727 999.9900 -1.9795 -.6517 -.5271 .4163 .0232 -.4132
67 GLU 67 .0468 -.1645 999.9900 -1.0323 .3568 -.1983 .5653 .6255 .6004 .0663
68 LYS 68 -1.6300 1.1488 999.9900 .1140 -.6710 -.1848 .5656 .5950 .5828 .0338
69 GLY 69 -1.0150 999.9900 999.9900 999.9900 -.6865 -.8507 .5830 .5946 .5894 -.1310
70 GLU 70 -.9196 -.2533 999.9900 -1.0323 .3568 -.4621 -.1501 .4069 .1748 -.2653
71 VAL 71 .4077 999.9900 .8055 999.9900 -.3121 .3003 -.5126 .6604 .1716 .2098
72 HIS 72 -.5132 -1.1713 999.9900 999.9900 .1122 -.5241 -1.0215 .3135 -.2428 -.4561
73 GLY 73 -1.2645 999.9900 999.9900 999.9900 -.9224 -1.0935 -2.2718 .6633 -.6412 -.9488
74 LYS 74 -.2345 -1.5918 999.9900 .1731 -.4103 -.3781 -.7102 .5272 .0116 -.2962
75 VAL 75 .5332 999.9900 .9224 999.9900 .1378 .5311 .3331 .5744 .4738 .5002
76 LEU 76 -.7094 .8730 999.9900 999.9900 .4774 .2137 .3802 .3776 .3787 .2798
77 MET 77 -.3206 .3567 999.9900 .9587 .5203 .3788 -1.1480 .4880 -.1937 .1425
78 GLY 78 -.3903 999.9900 999.9900 999.9900 .4883 .0490 -.0525 .6314 .3274 .1692
79 VAL 79 -.4842 999.9900 .8662 999.9900 .5521 .3114 -.4238 .5974 .1719 .2215
80 THR 80 -.1608 999.9900 .4804 999.9900 .8957 .4051 .1751 .3891 .2999 .3559
81 SER 81 1.0911 999.9900 .8786 999.9900 -.0193 .6501 .5865 .3877 .4705 .5849
82 ASP 82 .6354 -.5059 999.9900 999.9900 .5431 .2242 .4876 .6304 .5709 .3581
83 GLU 83 1.0761 .8332 999.9900 -1.0323 -.1261 .1877 .5390 .3068 .4035 .2661
84 LEU 84 .8182 .3261 999.9900 999.9900 .9730 .7058 .5695 .6314 .6056 .6636
85 GLU 85 .6833 1.2631 999.9900 -1.0323 .2865 .3001 .5288 .6442 .5961 .3956
86 ASN 86 1.1272 -1.5725 999.9900 999.9900 .8607 .1385 .5708 .4572 .5046 .2887
87 LEU 87 1.1349 .8710 999.9900 999.9900 .2381 .7480 .6645 .6299 .6443 .7077
88 ASP 88 1.1285 -.5059 999.9900 999.9900 .2628 .2951 .2023 .6625 .4708 .3501
89 ALA 89 .6496 999.9900 999.9900 999.9900 .5367 .5932 .5645 .6491 .6139 .6000
90 VAL 90 -.1888 999.9900 .9747 999.9900 -.1376 .2161 .0139 .4585 .2733 .2241
91 GLU 91 -.1289 .5701 999.9900 -1.0323 -1.0906 -.4204 .5967 .6428 .6236 -.0737
92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8897 .2718 .4159 .1032 .2422 .2657
93 ASN 93 1.1272 1.0524 999.9900 999.9900 .1585 .7794 .6059 .6012 .6032 .7091
94 GLU 94 -1.0629 .4305 999.9900 .3501 -.7952 -.2694 .6564 .6292 .6405 .0347
95 TYR 95 -.3077 .4149 999.9900 999.9900 -.1498 -.0142 .4799 .5899 .5441 .2055
96 GLU 96 -.3484 -.2267 999.9900 .3501 .1264 -.0246 .3124 .6021 .4814 .1360
97 ARG 97 -.8053 .7238 999.9900 .6901 .7064 .4010 -.3774 .5614 .1702 .3127
98 VAL 98 -.0582 999.9900 -.2457 999.9900 .4989 .0650 -.3106 .6133 .2283 .0995
99 THR 99 -.0475 999.9900 -.8810 999.9900 -.7236 -.5507 -.1108 .4568 .2203 -.2612
100 VAL 100 -.3548 999.9900 -.2457 999.9900 .5258 -.0249 -.1948 .6637 .3060 .0789
101 GLY 101 -1.5840 999.9900 999.9900 999.9900 .4101 -.5870 -.5447 .6704 .1304 -.2620
102 ILE 102 -.4396 -2.2551 999.9900 999.9900 .3195 -.7917 -1.3159 .3707 -.3321 -.6641
103 VAL 103 .5332 999.9900 .7395 999.9900 .7394 .6707 .1086 .5646 .3746 .5371
104 ARG 104 -.5052 1.0858 999.9900 .1593 .8581 .3515 .4339 .6123 .5380 .4005
105 GLU 105 -.3012 .8793 999.9900 -1.0323 -1.0906 -.3862 .6651 .5446 .5948 -.0559
106 ASP 106 -1.0681 -.7868 999.9900 999.9900 .3772 -.4926 .1271 -.2459 -.0905 -.3193
107 ASN 107 -2.1824 -.2320 999.9900 999.9900 .9106 -.5013 -.1205 .0791 -.0041 -.3090
108 SER 108 -3.7598 999.9900 -.0289 999.9900 -.1244 -1.3043 .5983 .6663 .6380 -.5297
109 GLU 109 -.4497 -.3402 999.9900 -1.0323 .6424 -.2950 -.5590 .5542 .0903 -.1974
110 LYS 110 -.3038 -.0529 999.9900 1.4207 -.6710 .3627 -1.7569 .4388 -.4761 .0708
111 MET 111 -.6588 .3244 999.9900 2.2863 .9122 .7160 -2.7137 .2805 -.9671 .0718
112 ALA 112 -.9131 999.9900 999.9900 999.9900 -.1129 -.5130 -.2933 .5702 .2104 -.1873
113 VAL 113 -1.4748 999.9900 -.5532 999.9900 -1.3636 -1.1305 -.3252 .6022 .2158 -.6229
114 LYS 114 -.3811 -1.6955 999.9900 .3546 -.4892 -.3713 -.8937 .1061 -.3105 -.3777
115 THR 115 -.5830 999.9900 -.8810 999.9900 .3342 -.3766 -.6945 .4482 -.0279 -.2752
116 TYR 116 -.2794 -.0856 999.9900 999.9900 .4594 .0315 -.1688 .5500 .2505 .0951
117 MET 117 -.9371 -.2135 999.9900 .9587 .7725 .1451 -.2973 .2579 .0266 .0902
118 TRP 118 .0151 -.5700 999.9900 999.9900 -1.6678 -.7409 .0339 -.0081 .0094 -.4393
119 ILE 119 1.0115 -3.0500 999.9900 999.9900 .3195 -.5730 -.0697 -.0152 -.0379 -.3608
120 ASN 120 -.5865 .2165 999.9900 999.9900 -1.3432 -.5711 -.3075 .4694 .1457 -.3103
121 LYS 121 -.0957 .4914 999.9900 -.4035 -.4892 -.1801 .2860 .3143 .3025 -.0429
122 ALA 122 -2.2093 999.9900 999.9900 999.9900 .2428 -.9833 -.1134 .3157 .1369 -.4411
123 ASP 123 -.3819 -1.1062 999.9900 999.9900 .3772 -.3703 .5939 .4987 .5384 -.0037
124 PRO 124 -1.3449 999.9900 999.9900 999.9900 .2989 -.5230 .4714 .5515 .5181 -.0058
125 ASP 125 -.9728 -.9533 999.9900 999.9900 .8336 -.3641 .3118 .2253 .2613 -.1111
126 MET 126 -1.0204 -.2892 999.9900 .9587 -.1136 -.1161 -1.0099 .2228 -.2908 -.2086
127 PHE 127 -.0017 .4845 999.9900 999.9900 -.0962 .1289 -2.0899 .3101 -.6899 -.2787
128 GLY 128 -2.6716 999.9900 999.9900 999.9900 .0351 -1.3182 -4.5782 .4093 -1.8073 -1.7013
129 GLU 129 -.3633 -.4584 999.9900 -1.0323 -1.5390 -.8483 -1.0949 .2476 -.3117 -.7067
130 TRP 130 .0151 -3.3859 999.9900 999.9900 -1.6678 -1.6795 .3972 .4295 .4160 -.8423
131 ASN 131 -1.1054 -.1227 999.9900 999.9900 -.4633 -.5638 -1.0219 -.1795 -.5305 -.5785
132 PHE 132 .8041 -.1118 999.9900 999.9900 1.0159 .5694 -.9040 .2098 -.2543 .2028
133 GLU 133 .3258 -2.3808 999.9900 .3501 .2491 -.3640 -.0186 .2380 .1311 -.2061
134 GLU 134 .7157 .7809 999.9900 -1.0323 .4526 .2292 .4017 .4126 .4081 .2885
135 TRP 135 .9492 .2071 999.9900 999.9900 1.0323 .7296 .5870 .1993 .3609 .5950
136 LYS 136 .9451 .0381 999.9900 -.0770 .6576 .2974 .5926 .6550 .6290 .3906
137 ARG 137 .6655 -.4122 999.9900 .1593 .4837 .2111 .5012 .3773 .4289 .2763
138 LEU 138 .6509 .8730 999.9900 999.9900 .3942 .6393 .5274 .6369 .5913 .6165
139 HIS 139 1.0849 .3416 999.9900 999.9900 -.0263 .4667 .6326 .6142 .6218 .5294
140 LYS 140 .9480 .4325 999.9900 .1731 .4783 .4410 .6085 .6671 .6427 .4972
141 LYS 141 .7090 .8340 999.9900 .4411 .6576 .6166 .5973 .4972 .5389 .5968
142 LYS 142 .9480 .8340 999.9900 1.0822 -.0430 .7807 .5630 .6489 .6131 .7308
143 PHE 143 -.0639 .5589 999.9900 999.9900 -.0075 .1625 .6669 .2317 .4130 .2772
144 ILE 144 .0556 -.0414 999.9900 999.9900 .1133 .0425 .4972 .4998 .4987 .2249
145 GLU 145 .6116 1.1195 999.9900 -1.0323 -.3984 .0751 .3397 .6742 .5348 .2190
146 THR 146 -.3004 999.9900 .6346 999.9900 -2.7258 -.7972 .2658 .5797 .4489 -.3092
147 PHE 147 .0766 -.8310 999.9900 999.9900 .9272 .0576 .3600 .5474 .4693 .2160
148 LYS 148 1.0429 .8340 999.9900 .6812 .5595 .7598 .6241 .6309 .6280 .7220
149 LYS 149 .6780 1.1488 999.9900 .9312 .5595 .8498 .5601 .6346 .6035 .7776
150 ILE 150 .6852 .6227 999.9900 999.9900 .4912 .5997 .5970 .5991 .5982 .5990
151 MET 151 1.1168 .5321 999.9900 .9587 .0476 .6638 .4142 .5629 .5010 .6054
152 GLU 152 .6833 .5701 999.9900 .3501 .2865 .4725 .6558 .6804 .6701 .5377
153 CYS 153 .8160 999.9900 .1296 999.9900 -.3261 .2065 .6326 .6478 .6415 .3800
154 LYS 154 .0635 1.0637 999.9900 .8416 .7460 .7113 .0931 .5968 .3870 .6066
155 LYS 155 -3.5196 .8340 999.9900 .1731 -.0430 -.4765 -.7194 .2750 -.1394 -.4038
156 LYS 156 -.9563 1.1488 999.9900 1.0171 -.3378 .3778 .4267 -.5983 -.1712 .2453
157 PRO 157 -3.6843 999.9900 999.9900 999.9900 .4949 -1.5947 .3572 .2607 .3009 -.6429
158 GLN 158 -3.1236 -2.6982 999.9900 1.3059 -.1596 -1.1689 -.2611 .2047 .0106 -.7887
159 GLY 159 -2.9723 999.9900 999.9900 999.9900 -1.1231 -2.0477 -.3593 .0616 -.1255 -1.0983
160 GLN 160 -.4424 -.2368 999.9900 1.3059 .6133 .3100 -.1338 .4880 .2289 .2657
161 GLY 161 -3.4864 999.9900 999.9900 999.9900 -.7584 -2.1224 .0343 .5149 .3013 -.9239
162 ASN 162 -1.2316 -.1757 999.9900 999.9900 -.5831 -.6635 .4836 .5619 .5292 -.1890
163 ASP 163 .1806 -1.0518 999.9900 999.9900 .2628 -.2028 .5720 .6362 .6094 .1200
164 ASP 164 -.1512 -1.4542 999.9900 999.9900 .1786 -.4756 -.0747 .5128 .2680 -.1977
165 ILE 165 -1.8492 -1.1393 999.9900 999.9900 .5300 -.8195 .1581 .3881 .2923 -.3825
166 SER 166 -.4057 999.9900 .3727 999.9900 .0290 -.0013 .0861 .4015 .2701 .0967
167 HIS 167 -3.0884 -.0777 999.9900 999.9900 .6686 -.8325 .4193 .1894 .2852 -.3778
168 VAL 168 -4.3409 999.9900 -.2457 999.9900 .1768 -1.4699 -.1647 -.7490 -.5055 -1.0647
169 LEU 169 -.1775 .5315 999.9900 999.9900 -.9806 -.2089 .2389 .4214 .3454 .0068
170 ARG 170 -1.7561 1.0644 999.9900 .1593 -1.0907 -.2928 .1542 .2499 .2100 -.1514
171 GLU 171 -1.7894 1.1195 999.9900 .3501 -.5746 -.2236 -.2601 .1886 .0017 -.1610
172 ASP 172 -.1859 .2812 999.9900 999.9900 .5431 .2128 -1.3546 .2532 -.4167 -.0926
173 GLN 173 999.9900 -1.7668 999.9900 1.3059 999.9900 -.2305 -.9059 -.6622 -.7667 -.5073
Means: -.5349 -.1839 .1071 .3837 -.0876 -.1685 -.0936 .3958 .1911 -.0489 2.00 refined_13