1 MET 1 999.9900 .5321 999.9900 .9587 .3104 .6004 .5905 .6010 .5962 .5985 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 -.3587 -1.9117 -.1031 .3674 .1714 -.8898 3 ASP 3 -1.5723 -1.0518 999.9900 999.9900 -2.9873 -1.8705 .0067 .1084 .0660 -1.0993 4 THR 4 -.2485 999.9900 .6346 999.9900 .9813 .4558 .4462 .2465 .3297 .4120 5 GLY 5 -.2842 999.9900 999.9900 999.9900 .6270 .1714 .5973 .6675 .6363 .4019 6 GLU 6 -.5578 -.3402 999.9900 -1.0323 .6899 -.3101 .0657 .6621 .4136 -.0854 7 VAL 7 .0815 999.9900 -1.0788 999.9900 .5521 -.1484 -2.3911 .5362 -.6835 -.4600 8 GLN 8 -.3746 -2.6982 999.9900 1.3059 .7898 -.2443 -1.7523 -.4140 -.9716 -.5239 9 PHE 9 -.3209 -.1118 999.9900 999.9900 -.9498 -.4608 -1.2627 .2940 -.3546 -.4702 10 MET 10 -.3206 -.2135 999.9900 .9587 .5203 .2362 .4223 .6737 .5690 .3402 11 LYS 11 -1.0774 -2.9005 999.9900 .4778 .1791 -.5686 .0125 .0607 .0406 -.3957 12 PRO 12 -.2605 999.9900 999.9900 999.9900 .2426 -.0089 -.4132 .5771 .1645 .0365 13 PHE 13 .1032 -.7766 999.9900 999.9900 -.0962 -.2566 .1439 .4552 .3255 -.0341 14 ILE 14 .4877 -3.0500 999.9900 999.9900 -1.4322 -1.3315 .2339 .4620 .3670 -.6597 15 SER 15 .5661 999.9900 -.7153 999.9900 .3425 .0644 .3739 .2911 .3256 .1716 16 GLU 16 .8733 .6046 999.9900 -1.0323 .5390 .2462 .3034 .4464 .3868 .2891 17 LYS 17 -1.4447 1.2989 999.9900 -.0397 .5850 .0720 .3688 .3019 .3297 .1472 18 SER 18 -.9964 999.9900 .3727 999.9900 -1.6178 -.7471 .4565 .5367 .5033 -.2497 19 SER 19 .7489 999.9900 1.2119 999.9900 .3425 .7677 .0868 .5036 .3299 .5787 20 LYS 20 -2.7709 -2.1617 999.9900 1.0942 .1791 -.5130 .3093 .4490 .3908 -.2581 21 SER 21 .0135 999.9900 -.0289 999.9900 .6705 .2184 .2633 .6295 .4769 .3096 22 LEU 22 -.1596 -1.8410 999.9900 999.9900 .6926 -.4360 .2878 .4729 .3958 -.1095 23 GLU 23 -.8365 -.3402 999.9900 -1.0323 .5923 -.4042 .2608 .5477 .4282 -.1347 24 ILE 24 -.3251 -.0177 999.9900 999.9900 -.7199 -.3543 .4184 .3593 .3839 -.0570 25 PRO 25 .5449 999.9900 999.9900 999.9900 -.0243 .2603 .5243 .3993 .4514 .3610 26 LEU 26 .8786 -1.4036 999.9900 999.9900 .4774 -.0159 .3187 .2291 .2664 .1000 27 GLY 27 .9829 999.9900 999.9900 999.9900 .4883 .7356 .3997 .6479 .5376 .6297 28 PHE 28 -.5116 .5902 999.9900 999.9900 .5949 .2245 .5353 .4867 .5069 .3391 29 ASN 29 .6990 .1037 999.9900 999.9900 -.0278 .2583 .6434 .4166 .5111 .3670 30 GLU 30 -.3012 -1.9198 999.9900 -1.0323 .5390 -.6786 .2324 .1635 .1922 -.3864 31 TYR 31 .3338 -2.1671 999.9900 999.9900 -.1498 -.6610 .6006 .3407 .4490 -.2083 32 PHE 32 -2.5364 .1164 999.9900 999.9900 -.3041 -.9080 -.0190 .1205 .0623 -.5245 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -.1935 -.4585 -1.0505 .1822 -.3314 -.4464 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -2.5165 -1.4551 .5593 .3219 .4208 -.5072 35 PRO 35 .5449 999.9900 999.9900 999.9900 -.1935 .1757 .3665 .3423 .3524 .2651 36 PHE 36 -.8715 -.3506 999.9900 999.9900 .5495 -.2242 -.0629 .3392 .1717 -.0792 37 PRO 37 -.2410 999.9900 999.9900 999.9900 .6188 .1889 .2776 .6443 .4915 .3249 38 ILE 38 -1.3063 -.0177 999.9900 999.9900 .0546 -.4231 .4594 .5525 .5137 -.0515 39 THR 39 .3976 999.9900 -.8810 999.9900 .6112 .0426 .1300 .5402 .3693 .1596 40 VAL 40 -.3909 999.9900 .1416 999.9900 -1.0415 -.4303 .0818 .1789 .1385 -.2060 41 ASP 41 -.5526 -2.1980 999.9900 999.9900 -1.1781 -1.3096 .3338 .6086 .4941 -.5973 42 LEU 42 -.0536 .5402 999.9900 999.9900 .2713 .2527 -.6844 .3097 -.1045 .0767 43 LEU 43 -.1196 -1.8410 999.9900 999.9900 -.5333 -.8313 -1.1783 .3028 -.3143 -.6739 44 ASP 44 -.5526 -1.7105 999.9900 999.9900 -1.8780 -1.3804 -.1805 .1874 .0341 -.8268 45 TYR 45 -.8045 -.9230 999.9900 999.9900 .4027 -.4416 .2740 .3535 .3204 -.1395 46 SER 46 -.9598 999.9900 -.7153 999.9900 -.0193 -.5648 .4016 .5147 .4676 -.1556 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .5429 -1.4718 .1701 .5308 .3705 -.5606 48 ARG 48 -.5733 -2.8571 999.9900 1.3960 .4407 -.0395 -.0354 .2831 .1504 .0071 49 SER 49 -.2454 999.9900 .3727 999.9900 .5215 .2163 .2994 .6162 .4842 .3129 50 TRP 50 -.0034 -1.0414 999.9900 999.9900 .7198 -.1084 .0032 .6409 .3752 .0638 51 THR 51 -.5830 999.9900 .7650 999.9900 -.8522 -.2234 .4147 .2677 .3290 .0024 52 VAL 52 -.0145 999.9900 .1416 999.9900 -.3121 -.0616 -.1697 .6272 .2952 .0545 53 ARG 53 -.5614 1.1781 999.9900 .7862 -.2445 .3889 -.3204 .6038 .2187 .3183 54 MET 54 -.2922 .1642 999.9900 1.7963 -.1136 .3887 .2684 .3306 .3047 .3589 55 LYS 55 -.2023 .5334 999.9900 .8416 .8827 .5794 -.0078 .2344 .1335 .4462 56 LYS 56 -.3543 -.3555 999.9900 .8261 .3573 .2599 -2.5798 -.3454 -1.2764 -.2322 57 ARG 57 -2.0927 1.1781 999.9900 .9503 .5640 .3100 .6013 .6124 .6078 .3948 58 GLY 58 -1.7786 999.9900 999.9900 999.9900 .5429 -.6179 .5650 .4523 .5024 -.0546 59 GLU 59 -.5648 .8793 999.9900 -1.0323 .0814 -.1591 -.2209 .6144 .2663 -.0405 60 LYS 60 -.3038 .1761 999.9900 .4996 -2.6618 -.3581 -.2262 .3737 .1238 -.2347 61 VAL 61 -.0346 999.9900 .9224 999.9900 .6959 .5279 -1.1708 .0394 -.4649 .0905 62 PHE 62 -.0017 .8160 999.9900 999.9900 -2.2412 -.4756 -1.2496 .4442 -.2615 -.4464 63 LEU 63 -.7582 -1.4996 999.9900 999.9900 -2.5031 -1.5870 -.9227 -.3395 -.5825 -1.2046 64 THR 64 -4.2065 999.9900 -.8810 999.9900 -1.3910 -2.1595 -.1240 .0457 -.0250 -1.3114 65 VAL 65 -1.7159 999.9900 .5873 999.9900 -1.8525 -.9937 -1.0030 .4280 -.1682 -.7112 66 GLY 66 -2.0431 999.9900 999.9900 999.9900 -1.1231 -1.5831 -.6721 .2843 -.1408 -.8885 67 TRP 67 .2222 -.3018 999.9900 999.9900 .4467 .1224 .4186 .5316 .4845 .2635 68 GLU 68 .6116 -.6022 999.9900 -1.0323 .3899 -.1583 .1747 .5451 .3908 .0145 69 ASN 69 1.3908 -.2921 999.9900 999.9900 .1585 .4191 -.9323 .4107 -.1489 .1471 70 PHE 70 .6259 .8308 999.9900 999.9900 .1482 .5350 .1886 .6183 .4392 .4823 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .2505 .0726 .2616 .5518 .4309 .2063 72 LYS 72 .6751 .3679 999.9900 .3546 -1.6664 .0172 .6654 .6556 .6597 .2010 73 ASP 73 .9921 -.2599 999.9900 999.9900 .4469 .3930 -.1221 .4865 .2329 .3087 74 ASN 74 -.3337 -.4258 999.9900 999.9900 .9106 .0504 .6112 .3812 .4770 .2287 75 ASN 75 -2.8943 -1.5725 999.9900 999.9900 .6605 -1.2688 -.0645 .2970 .1464 -.7147 76 LEU 76 -.7369 -3.3760 999.9900 999.9900 .7753 -1.1125 -.6826 .0428 -.2595 -.7955 77 GLU 77 -1.3743 -.4402 999.9900 .3501 1.0761 -.0971 .3045 .4687 .4003 .0642 78 ASP 78 -.3915 -1.2961 999.9900 999.9900 -1.8780 -1.1885 -.2411 .2087 .0213 -.7196 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 -1.2432 -1.7679 .2750 .0974 .1763 -.7909 80 LYS 80 -.2400 1.2989 999.9900 .8634 -.8987 .3774 -.0737 .2183 .0967 .2902 81 TYR 81 -.0390 -.2802 999.9900 999.9900 -1.9776 -.7656 .2479 .2604 .2552 -.3577 82 LEU 82 .1006 .5315 999.9900 999.9900 -3.2047 -.8575 -.6258 .3408 -.0619 -.5715 83 GLN 83 -.1966 .4660 999.9900 1.3059 -1.6155 -.0101 -2.7377 -.1203 -1.2109 -.4830 84 PHE 84 -.4973 .5902 999.9900 999.9900 -2.2412 -.7161 -.5538 -.2965 -.4037 -.5997 85 ILE 85 -.1408 .4983 999.9900 999.9900 .2717 .2097 -.4101 .5318 .1393 .1502 86 TYR 86 .0214 .5582 999.9900 999.9900 .3421 .3072 -.0976 .0220 -.0278 .1692 87 ASP 87 -1.0941 -1.1062 999.9900 999.9900 -.5661 -.9221 .6713 .3952 .5102 -.3400 88 ARG 88 -2.9267 -.2334 999.9900 1.0005 .7064 -.0905 -.0776 .1920 .0797 -.0483 89 ASP 89 -3.3417 -.8452 999.9900 999.9900 -1.3622 -1.8497 -.0976 .3469 .1617 -1.0600 90 ARG 90 -.7709 .0264 999.9900 .6901 .4407 .2152 .4755 .6993 .6061 .3216 91 THR 91 .1937 999.9900 1.1473 999.9900 .6695 .6702 .4566 .5849 .5314 .6104 92 PHE 92 .0629 -.4798 999.9900 999.9900 .3981 -.0063 .1811 .4067 .3127 .1138 93 TYR 93 .5504 .2608 999.9900 999.9900 -.2672 .1813 .3625 .5572 .4761 .2927 94 VAL 94 .1037 999.9900 .7395 999.9900 -.3121 .1770 .3305 .6130 .4953 .2949 95 ILE 95 -.6113 .6227 999.9900 999.9900 .0546 .0220 .3974 .4543 .4306 .1836 96 ILE 96 .3059 .6227 999.9900 999.9900 .2717 .4001 .4784 .6924 .6032 .4742 97 TYR 97 -.0495 .8492 999.9900 999.9900 .8158 .5385 -.3799 .3165 .0263 .3104 98 GLY 98 -2.6716 999.9900 999.9900 999.9900 .7185 -.9765 -.7869 .6483 .0104 -.5229 99 HIS 99 -2.5191 .0958 999.9900 999.9900 -.0263 -.8165 -.7180 .2448 -.1564 -.5846 100 ASN 100 -1.0675 -1.4522 999.9900 999.9900 .6605 -.6197 -.8232 .1447 -.2586 -.5075 101 MET 101 -2.6662 .8879 999.9900 .9587 -.3043 -.2810 -.0091 .1843 .1037 -.1581 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.1211 -.6342 -.4143 -.2086 Means: -.5785 -.4280 .0941 .5364 -.1750 -.2511 -.0679 .3630 .1827 -.0982 2.00 refined_16