1 GLU 1 999.9900 -.2011 999.9900 -1.0323 .4526 -.2603 .4044 .5097 .4618 .0267 2 ALA 2 -1.3571 999.9900 999.9900 999.9900 .3801 -.4885 .2020 .6786 .4800 -.0241 3 GLU 3 -1.2088 -.9977 999.9900 -1.0323 -1.0906 -1.0824 .0304 -.1199 -.0573 -.7365 4 VAL 4 -1.0731 999.9900 -1.0788 999.9900 -.8010 -.9843 .5135 .5731 .5482 -.3733 5 HIS 5 -.4125 -.9211 999.9900 999.9900 -1.6368 -.9901 .3760 .5435 .4737 -.4102 6 ASN 6 -.1320 .3924 999.9900 999.9900 -.3577 -.0324 .1618 .2184 .1948 .0566 7 GLN 7 -1.3658 1.1250 999.9900 1.3059 .0346 .2749 -.5846 .0513 -.2137 .0944 8 LEU 8 .0762 -1.8410 999.9900 999.9900 -.3982 -.7210 .2152 .3461 .2916 -.3203 9 GLU 9 -.4269 -.2011 999.9900 -1.0323 .4218 -.3096 -.7000 .0339 -.2719 -.3174 10 ILE 10 .1962 .2838 999.9900 999.9900 -.4906 -.0036 -.1569 .4630 .2047 .0591 11 LYS 11 -.2345 -.5490 999.9900 -.4035 .0525 -.3076 -.4510 .1300 -.1121 -.2656 12 PHE 12 -.0803 .9147 999.9900 999.9900 -.0075 .2756 .0811 .6578 .4175 .3132 13 ARG 13 -.4945 .1897 999.9900 1.0005 .9385 .5269 -.1421 .3437 .1413 .4052 14 LEU 14 -.9403 -1.5832 999.9900 999.9900 .6926 -.6103 .6004 .6295 .6174 -.1202 15 THR 15 .1314 999.9900 .0483 999.9900 .4476 .2091 .4458 .5695 .5179 .3285 16 ASP 16 .1806 -.2599 999.9900 999.9900 .5121 .1443 .5156 .3441 .4156 .2585 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .2296 .6718 -.5130 .6801 .1498 .3776 18 SER 18 -.5057 999.9900 -.7153 999.9900 .6931 -.1760 .0700 -.1121 -.0362 -.1140 19 ASP 19 -1.3105 -2.0001 999.9900 999.9900 .2628 -1.0159 -.8275 .4308 -.0935 -.6889 20 ILE 20 -.4035 .6227 999.9900 999.9900 .4509 .2234 .1203 .4443 .3093 .2470 21 GLY 21 -.5849 999.9900 999.9900 999.9900 -.7584 -.6717 .5884 .3993 .4834 -.0889 22 PRO 22 .4049 999.9900 999.9900 999.9900 .0500 .2274 -.4378 .2770 -.0208 .0735 23 LYS 23 -.3038 -.3555 999.9900 1.0822 -.4892 .2032 .2584 -.4998 -.1839 .1106 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .8416 .0313 .6163 .6504 .6362 .3323 25 PHE 25 -.1586 -.0090 999.9900 999.9900 -2.2412 -.8029 .3402 .2186 .2693 -.3700 26 PRO 26 .5449 999.9900 999.9900 999.9900 .1187 .3318 .5426 .4195 .4708 .4064 27 ASP 27 .3915 -1.5469 999.9900 999.9900 -.5661 -.5739 .2590 .2876 .2757 -.2350 28 ALA 28 -.4579 999.9900 999.9900 999.9900 .2908 -.0835 .5168 .5999 .5652 .2374 29 THR 29 -.1384 999.9900 -.8810 999.9900 .0572 -.3208 .5437 .4403 .4834 .0044 30 THR 30 -.1761 999.9900 .8779 999.9900 .1092 .2704 .5677 .6492 .6152 .4056 31 VAL 31 .5660 999.9900 .7395 999.9900 -.4490 .2855 .5917 .5350 .5586 .3966 32 SER 32 1.1864 999.9900 -.7153 999.9900 .7151 .3954 .3707 .6029 .5062 .4320 33 ALA 33 .8001 999.9900 999.9900 999.9900 -1.4870 -.3435 .3353 .5595 .4661 .0520 34 LEU 34 .8182 -1.4262 999.9900 999.9900 .6926 .0282 .2436 .4656 .3731 .1588 35 LYS 35 1.2214 1.1488 999.9900 1.0897 -.8987 .7302 .3447 .4696 .4175 .6379 36 GLU 36 .8604 .4305 999.9900 .3501 -.1867 .3636 .6580 .6035 .6262 .4526 37 THR 37 1.1372 999.9900 .9776 999.9900 .6695 .9281 .4902 .6205 .5662 .7790 38 VAL 38 .8065 999.9900 .5873 999.9900 .7810 .7250 .5374 .6274 .5899 .6679 39 ILE 39 1.0115 .4983 999.9900 999.9900 .3195 .6098 .3528 .6391 .5198 .5642 40 SER 40 .0652 999.9900 -.7153 999.9900 -.8619 -.5040 .5010 .5697 .5411 -.0883 41 GLU 41 .0765 -.0067 999.9900 -1.0323 .5112 -.1128 .1088 .6765 .4400 .0557 42 TRP 42 -.4195 -.3018 999.9900 999.9900 .5918 -.0432 -.1818 -.2899 -.2449 -.1203 43 PRO 43 -2.0489 999.9900 999.9900 999.9900 .4949 -.7770 .3622 .3941 .3808 -.1994 44 ARG 44 .6655 -2.8571 999.9900 .1593 -.0761 -.3898 .3401 .2075 .2627 -.2002 45 GLU 45 -.7937 .6653 999.9900 -1.0323 -2.5035 -.9160 .1136 .2181 .1746 -.5554 46 LYS 46 -3.5196 -2.9005 999.9900 -.0397 -.1497 -1.3299 .4835 -.6052 -.1516 -.9673 47 GLU 47 -3.2255 -.1645 999.9900 1.1588 .3899 -.4603 .5831 -.2565 .0934 -.2525 48 ASN 48 -3.4329 -1.5725 999.9900 999.9900 .4024 -1.5343 -.6903 .0928 -.2335 -1.0401 49 GLY 49 -1.4779 999.9900 999.9900 999.9900 -1.1231 -1.3005 .4582 .2945 .3673 -.4621 50 PRO 50 -4.5055 999.9900 999.9900 999.9900 .8563 -1.8246 -.1222 .6097 .3047 -.7905 51 LYS 51 -3.5196 -.4196 999.9900 .3546 -.4892 -.7438 -.2210 .0223 -.0791 -.5597 52 THR 52 -.2075 999.9900 .4804 999.9900 .6695 .3141 .0408 .3506 .2215 .2668 53 VAL 53 -.6460 999.9900 -1.0788 999.9900 -.8010 -.8419 .3630 .4576 .4182 -.3410 54 LYS 54 .0635 .2165 999.9900 .6906 -.4892 .2344 .5185 .4642 .4869 .3078 55 GLU 55 -2.1524 -1.1891 999.9900 -1.0323 -.1261 -1.1250 .3926 -.4881 -.1211 -.7659 56 VAL 56 .3894 999.9900 -1.0788 999.9900 .6503 -.0130 .2381 .4619 .3686 .1322 57 LYS 57 -.2512 .8340 999.9900 .4411 -2.6618 -.2393 .6310 .4114 .5029 -.0220 58 LEU 58 -.2443 -3.3760 999.9900 999.9900 .4227 -1.0659 -.2464 .3636 .1094 -.6161 59 ILE 59 .1962 .6227 999.9900 999.9900 .7362 .5183 .2767 .6304 .4830 .4924 60 SER 60 -.4057 999.9900 -.0289 999.9900 .7576 .1077 .4294 .5143 .4789 .2533 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 .7458 -.4897 .4580 .5431 .5076 .0054 62 GLY 62 .3894 999.9900 999.9900 999.9900 .7039 .5467 .5370 .5884 .5656 .5547 63 LYS 63 -.2799 .8596 999.9900 1.0942 .7669 .7070 .4998 .5494 .5287 .6549 64 VAL 64 -.3161 999.9900 .3968 999.9900 .2505 .1104 .3345 .6314 .5077 .2594 65 LEU 65 -.5127 -1.4996 999.9900 999.9900 -.0308 -.6810 .0393 .6039 .3686 -.2800 66 GLU 66 -.4497 -1.4588 999.9900 -1.0323 -1.2865 -1.0568 .2457 -.0165 .0928 -.6663 67 ASN 67 -.3482 1.0524 999.9900 999.9900 -1.0852 -.1270 .0251 -.1276 -.0639 -.0967 68 SER 68 .7489 999.9900 -.7153 999.9900 -.7427 -.2364 -.5749 .5727 .0945 -.1423 69 LYS 69 -1.3537 .1761 999.9900 1.1993 .6805 .3803 .1849 .5887 .4205 .3822 70 THR 70 -.4146 999.9900 .7650 999.9900 .5490 .2998 .2098 .4525 .3514 .3123 71 VAL 71 .8065 999.9900 .5873 999.9900 -.0367 .4524 .5545 .6148 .5897 .5053 72 LYS 72 .7090 .8340 999.9900 .9398 -1.0384 .4769 .6117 .5505 .5760 .5066 73 ASP 73 1.3227 -1.7105 999.9900 999.9900 .5431 .0518 .5398 .6839 .6239 .2758 74 TYR 74 -.5197 .4149 999.9900 999.9900 .2066 .0339 -.1325 .6889 .3466 .1316 75 ARG 75 -.6502 .8164 999.9900 .1593 -1.7309 -.2492 -.9605 .6187 -.0393 -.2268 76 SER 76 .1050 999.9900 .3727 999.9900 .7781 .4186 .1816 -.0367 .0543 .2801 77 PRO 77 -3.2630 999.9900 999.9900 999.9900 .4949 -1.3840 .4631 .6339 .5627 -.4178 78 VAL 78 -4.3409 999.9900 .3968 999.9900 -.5257 -1.4899 -2.7187 .1132 -1.0667 -1.4151 79 SER 79 -1.2908 999.9900 -.0289 999.9900 .5215 -.2661 -.1150 .0357 -.0271 -.1755 80 ASN 80 -.4928 -.3237 999.9900 999.9900 -.0996 -.3054 .4143 .4322 .4247 -.0139 81 LEU 81 -2.5767 -3.3760 999.9900 999.9900 -.2242 -2.0590 -1.8877 .6011 -.4359 -1.4927 82 ALA 82 -2.0946 999.9900 999.9900 999.9900 .4617 -.8165 .0755 .6364 .4027 -.2303 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 -.1350 -1.8107 .2867 .6278 .4762 -.6767 84 ALA 84 -1.9568 999.9900 999.9900 999.9900 -1.8670 -1.9119 -.3241 .5328 .1757 -.9038 85 VAL 85 .3758 999.9900 .3968 999.9900 .6959 .4895 -1.9638 .1491 -.7313 -.0693 86 THR 86 .2328 999.9900 .6346 999.9900 .4476 .4383 -.2703 .4526 .1514 .2995 87 THR 87 .1937 999.9900 .7650 999.9900 .6695 .5427 -.0933 .5395 .2758 .4149 88 MET 88 -.2651 .8879 999.9900 .9587 1.2917 .7183 .0682 .6527 .4092 .5990 89 HIS 89 -.5132 -.9211 999.9900 999.9900 .4328 -.3339 -.8019 .5761 .0019 -.2455 90 VAL 90 -.0288 999.9900 .5873 999.9900 .5258 .3615 -2.6628 .4158 -.8669 -.2325 91 ILE 91 -.0022 .6122 999.9900 999.9900 .1689 .2596 -1.6914 .3600 -.4947 -.1105 92 ILE 92 -.1621 -2.1272 999.9900 999.9900 .5300 -.5864 -1.1572 .4639 -.2115 -.4905 93 GLN 93 -.5591 1.1250 999.9900 1.3059 .7055 .6443 -.9075 .5781 -.0409 .3747 94 ALA 94 -1.7252 999.9900 999.9900 999.9900 .4617 -.6318 .5103 .5726 .5466 -.0452 95 PRO 95 -2.2417 999.9900 999.9900 999.9900 .4021 -.9198 .2819 .5860 .4593 -.2429 96 VAL 96 -.5725 999.9900 .7395 999.9900 -.6089 -.1473 .5887 .5389 .5596 .1371 97 THR 97 -3.6133 999.9900 -.2947 999.9900 -.6102 -1.5061 -.2861 .1741 -.0176 -.9260 98 GLU 98 -2.3953 .6046 999.9900 -1.0323 -1.2865 -1.0274 -.5220 -.5472 -.5367 -.8631 99 LYS 99 -1.5497 .1550 999.9900 1.0942 -2.0338 -.2480 -.6285 -.2815 -.4261 -.3072 100 GLU 100 -1.3743 -2.8418 999.9900 -1.0323 -.7952 -1.5109 -1.4442 -.6232 -.9653 -1.3518 101 LYS 101 999.9900 -2.4344 999.9900 .4778 999.9900 -.4929 -2.2328 -1.3000 -1.6998 -1.0023 Means: -.6332 -.4707 .0749 .3288 -.0555 -.2389 -.0119 .3561 .2022 -.0834 2.00 refined_18