1 GLY 1 999.9900 999.9900 999.9900 999.9900 .8277 .8277 .4703 .6341 .5522 .6440 2 HIS 2 -.7145 .2436 999.9900 999.9900 -.6493 -.3734 .5874 .6017 .5957 .0138 3 HIS 3 -.7145 -3.1083 999.9900 999.9900 -.6493 -1.4907 .1450 .0409 .0843 -.8572 4 HIS 4 -.5879 .8055 999.9900 999.9900 -.0263 .0638 .5937 .6362 .6185 .2842 5 HIS 5 -.1922 .0552 999.9900 999.9900 -1.6368 -.5913 -.1933 .1031 -.0204 -.3728 6 HIS 6 -.1684 -.5551 999.9900 999.9900 .4328 -.0969 -.1031 .2058 .0770 -.0376 7 HIS 7 -.0187 .4588 999.9900 999.9900 .6686 .3696 -.0970 .4714 .2346 .2966 8 LEU 8 -.2787 .8730 999.9900 999.9900 .9565 .5169 -.3112 .6265 .2358 .3732 9 GLU 9 -.9070 .7809 999.9900 -1.0323 .2101 -.2371 .1949 .6516 .4613 -.0170 10 CYS 10 -1.3337 999.9900 .1296 999.9900 -.6280 -.6107 -.0367 .5232 .2899 -.2691 11 SER 11 -3.2405 999.9900 .6576 999.9900 .0290 -.8513 -.1277 .3584 .1559 -.4646 12 SER 12 .2458 999.9900 .3727 999.9900 -.3810 .0792 .1981 .3782 .3031 .1628 13 ASP 13 -2.8635 -.7325 999.9900 999.9900 .5431 -1.0176 -.9350 -.6777 -.7849 -.9331 14 SER 14 -2.0349 999.9900 -.7153 999.9900 .1994 -.8503 .3665 .5375 .4662 -.3294 15 LEU 15 -1.4617 -1.8410 999.9900 999.9900 -.9806 -1.4278 -.6164 .5477 .0626 -.8704 16 GLN 16 -.3854 1.2376 999.9900 1.3059 -.7286 .3573 -.7628 .5911 .0270 .2096 17 LEU 17 -.6961 -2.1315 999.9900 999.9900 -1.8015 -1.5430 -4.3157 .3413 -1.5991 -1.7207 18 HIS 18 -.6701 .0128 999.9900 999.9900 .5967 -.0202 -1.0553 .4202 -.1946 -.1391 19 ASN 19 -.6931 .2165 999.9900 999.9900 -.1777 -.2181 -.2712 .3682 .1018 -.1115 20 VAL 20 .4158 999.9900 .3968 999.9900 .5521 .4549 .2440 .6858 .5017 .4589 21 PHE 21 -.2560 .5389 999.9900 999.9900 .2172 .1667 -.1253 .5225 .2526 .1795 22 VAL 22 -.8511 999.9900 -1.0788 999.9900 -1.3636 -1.0978 -.1427 -.1073 -.1221 -.7087 23 TYR 23 -.2255 -.3906 999.9900 999.9900 .6556 .0132 .4840 .4159 .4443 .1879 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 -.0631 -1.7747 .5050 .5468 .5282 -.6244 25 SER 25 .9506 999.9900 -.7153 999.9900 -.2435 -.0028 .5292 .4261 .4691 .1894 26 PHE 26 -2.7602 .3397 999.9900 999.9900 -.4285 -.9497 .1740 .5564 .3971 -.4237 27 GLN 27 -.3229 .6267 999.9900 1.3059 .5636 .5433 -.0974 .4560 .2254 .4220 28 ASP 28 -.1930 -1.1062 999.9900 999.9900 .1337 -.3885 .5230 .4970 .5078 -.0291 29 PRO 29 .6171 999.9900 999.9900 999.9900 .4496 .5334 .6835 .4037 .5203 .5385 30 ASP 30 .9343 -.5059 999.9900 999.9900 -1.1781 -.2499 .5395 .5590 .5509 .0697 31 VAL 31 1.0462 999.9900 1.0696 999.9900 .6959 .9372 .5520 .5698 .5624 .7867 32 ILE 32 1.0115 -.0177 999.9900 999.9900 .1133 .3690 .3539 .4673 .4201 .3857 33 ASN 33 .9642 -2.3357 999.9900 999.9900 -1.0852 -.8189 .0068 .1785 .1070 -.4543 34 VAL 34 -.4049 999.9900 -1.0788 999.9900 -1.3636 -.9491 .5539 .4022 .4654 -.3782 35 MET 35 1.1168 -2.5481 999.9900 .9587 .9122 .1099 .3117 .5639 .4588 .2192 36 LEU 36 -3.7702 -3.3760 999.9900 999.9900 -.9806 -2.7089 -.2988 -.2464 -.2682 -1.7344 37 ASP 37 -3.3417 -.5889 999.9900 999.9900 -1.1781 -1.7029 -.2211 .5872 .2504 -.9485 38 ARG 38 -.6367 -.0184 999.9900 .1593 .3956 .0118 .2730 .5988 .4630 .1330 39 THR 39 -.6341 999.9900 -.8810 999.9900 .4476 -.3558 .5786 .5715 .5745 .0165 40 PRO 40 .5449 999.9900 999.9900 999.9900 .7618 .6534 .7000 .4496 .5539 .6141 41 GLU 41 -.5578 .7809 999.9900 -1.0323 -2.5035 -.8282 .3140 .6063 .4845 -.3987 42 ILE 42 .2593 .2838 999.9900 999.9900 -.5989 -.0186 .1480 .5782 .3989 .1341 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .1378 -.2882 -.0296 .5542 .3110 -.0680 44 SER 44 -.2806 999.9900 1.2119 999.9900 .3425 .4246 .2811 .5421 .4334 .4194 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .6708 .0599 -.3399 .6407 .2321 .1052 46 THR 46 .4874 999.9900 .8779 999.9900 -.1184 .4156 .0789 .6043 .3854 .3860 47 LEU 47 -.8349 -.0669 999.9900 999.9900 .7348 -.0557 .3698 .4544 .4191 .1314 48 PRO 48 -1.3581 999.9900 999.9900 999.9900 .6931 -.3325 .1816 .6569 .4588 .0433 49 GLY 49 .6263 999.9900 999.9900 999.9900 .8016 .7140 .3436 .6649 .5221 .6091 50 PHE 50 -.1316 .5510 999.9900 999.9900 -.4285 -.0031 -1.7197 .1586 -.6240 -.3141 51 GLN 51 -.3431 .6267 999.9900 1.3059 .0346 .4060 -.1242 .0769 -.0069 .2628 52 ARG 52 -.3136 .7158 999.9900 .5548 .0662 .3156 -.6938 .3501 -.0849 .1763 53 PHE 53 .0900 -1.3145 999.9900 999.9900 -.9498 -.7248 -1.2019 .4546 -.2356 -.5843 54 ARG 54 -.9440 -.4122 999.9900 .5548 .4407 .0388 -.4826 .4966 .0886 .0297 55 LEU 55 -3.7702 .3419 999.9900 999.9900 .7753 -.8843 .0782 .0625 .0690 -.5025 56 LYS 56 -3.0472 -2.9005 999.9900 1.2852 -.4892 -.7733 -.1400 -.0317 -.0769 -.5769 57 GLY 57 -3.4864 999.9900 999.9900 999.9900 .7039 -1.3912 .4763 .6139 .5527 -.4231 58 ARG 58 -.0126 -2.8571 999.9900 .1593 .6379 -.3826 -.3693 .2882 .0142 -.2849 59 LEU 59 -.8032 .5315 999.9900 999.9900 -3.2047 -1.1588 -.3705 .4019 .0801 -.6890 60 TYR 60 -.9465 -.7135 999.9900 999.9900 -1.0119 -.8906 .4914 -.1619 .1103 -.4685 61 PRO 61 -2.8996 999.9900 999.9900 999.9900 -1.6867 -2.2932 -.2073 .1878 .0232 -1.1515 62 CYS 62 -.6060 999.9900 .1296 999.9900 .6355 .0530 .4131 .5821 .5117 .2309 63 ILE 63 .0718 -.0177 999.9900 999.9900 .2717 .1086 .0623 .6215 .3885 .2019 64 VAL 64 -.0463 999.9900 .6672 999.9900 -.3121 .1029 .4740 .4999 .4891 .2565 65 PRO 65 -3.3827 999.9900 999.9900 999.9900 .1827 -1.6000 .0422 .4652 .2890 -.6731 66 SER 66 -1.2119 999.9900 .6576 999.9900 -.1244 -.2262 .3106 .4146 .3713 .0093 67 GLU 67 .4426 -.5578 999.9900 -1.0323 .2491 -.2246 .5239 .6814 .6158 .0511 68 LYS 68 -.5504 1.1488 999.9900 .3240 .5850 .3663 .4981 .6547 .5895 .4263 69 GLY 69 -1.0699 999.9900 999.9900 999.9900 .7185 -.1757 .2250 .5209 .3894 .0986 70 GLU 70 -1.2298 -.3402 999.9900 -1.0323 .7127 -.4724 -.1637 .3805 .1537 -.2788 71 VAL 71 .4077 999.9900 .7395 999.9900 .5776 .5749 -.0277 .6737 .3814 .4741 72 HIS 72 -.5132 -.9211 999.9900 999.9900 .5967 -.2792 -.7557 .5122 -.0161 -.2162 73 GLY 73 -1.0990 999.9900 999.9900 999.9900 .2782 -.4104 -2.2307 .6785 -.6145 -.5932 74 LYS 74 -.3038 -1.5020 999.9900 .5368 .5595 -.0345 -1.0610 .2049 -.3225 -.1470 75 VAL 75 .5332 999.9900 .2799 999.9900 -.4490 .1213 .3256 .4938 .4237 .2367 76 LEU 76 -.4065 .8730 999.9900 999.9900 .6708 .3791 -.5529 .2240 -.0997 .1617 77 MET 77 -.2651 -.6258 999.9900 .9587 -1.9874 -.4799 -.0261 .5577 .3145 -.2313 78 GLY 78 .7683 999.9900 999.9900 999.9900 .8277 .7980 -.0171 .6243 .3392 .5508 79 VAL 79 -.4192 999.9900 -.5532 999.9900 .6734 -.0997 -.3054 .4845 .1554 -.0240 80 THR 80 -.3368 999.9900 -.2947 999.9900 .2932 -.1128 -.3699 .0811 -.1068 -.1254 81 SER 81 .5661 999.9900 -.0289 999.9900 .5740 .3704 .4342 .5467 .4998 .4184 82 ASP 82 .6354 -.3623 999.9900 999.9900 -.4783 -.0684 .2416 .6117 .4575 .1296 83 GLU 83 .6833 .0644 999.9900 -1.0323 .0339 -.0627 .4959 .5161 .5077 .1269 84 LEU 84 .9913 .5563 999.9900 999.9900 .9730 .8402 .5253 .6186 .5797 .7329 85 GLU 85 .8733 -.3402 999.9900 -1.0323 -.4821 -.2453 .4318 .5185 .4824 -.0052 86 ASN 86 .9642 -.5828 999.9900 999.9900 .5940 .3251 .1962 .3581 .2907 .3060 87 LEU 87 1.1349 .8710 999.9900 999.9900 .5787 .8615 .5090 .6068 .5660 .7401 88 ASP 88 .9343 -1.6521 999.9900 999.9900 -.1266 -.2815 .1153 .6307 .4160 -.0197 89 ALA 89 .3637 999.9900 999.9900 999.9900 .6550 .5094 .5488 .6678 .6183 .5589 90 VAL 90 .5646 999.9900 -1.0788 999.9900 .8778 .1212 -.3613 .2553 -.0017 .0515 91 GLU 91 .0765 .6194 999.9900 -1.0323 -.5746 -.2277 .3052 .6022 .4785 -.0006 92 GLY 92 -.3460 999.9900 999.9900 999.9900 -.0291 -.1876 .1576 .2879 .2300 .0176 93 ASN 93 1.3908 1.0524 999.9900 999.9900 -.1777 .7552 .6240 .6110 .6164 .7001 94 GLU 94 -2.0601 .6231 999.9900 .3501 .2491 -.2095 .5255 .5752 .5545 .0438 95 TYR 95 -.3077 .5297 999.9900 999.9900 .9193 .3805 .6084 .6567 .6366 .4813 96 GLU 96 -.3484 .7809 999.9900 -1.0323 .3568 -.0608 .6572 .5991 .6233 .1689 97 ARG 97 -.3136 .3218 999.9900 1.7915 -2.3710 .2440 .1331 .3993 .2884 .2504 98 VAL 98 -.0523 999.9900 -.2457 999.9900 .7810 .1610 -2.2713 -.0466 -.9735 -.3670 99 THR 99 .4171 999.9900 -.8810 999.9900 -1.3910 -.6183 -.5366 .1364 -.1440 -.4510 100 VAL 100 -.3548 999.9900 -.2457 999.9900 .6959 .0318 .2333 .6897 .4996 .2037 101 GLY 101 -1.5840 999.9900 999.9900 999.9900 .7883 -.3979 -.1425 .6421 .2934 -.0741 102 ILE 102 -1.0140 -2.1272 999.9900 999.9900 .6034 -.8459 -.3933 .4393 .0924 -.4983 103 VAL 103 .3758 999.9900 .7395 999.9900 .6503 .5885 .1790 .5876 .4173 .5064 104 ARG 104 -.4636 .8761 999.9900 .1593 .6017 .2666 .6119 .4319 .5069 .3395 105 GLU 105 .0468 .5701 999.9900 .3501 -1.8950 -.2320 .5154 .4385 .4705 .0043 106 ASP 106 .2706 -1.7105 999.9900 999.9900 .9215 -.1728 .6069 .5570 .5778 .1291 107 ASN 107 -1.1872 -1.0148 999.9900 999.9900 -1.3432 -1.1818 .2705 .1792 .2173 -.6191 108 SER 108 -1.7828 999.9900 -.0289 999.9900 -.0193 -.6103 .3499 .3606 .3562 -.2241 109 GLU 109 -.3386 .6194 999.9900 -1.0323 .2101 -.1354 -.4635 .6520 .1872 -.0588 110 LYS 110 -.3038 .1550 999.9900 -.0770 .2547 -.0096 -.2654 .6555 .2718 .0489 111 MET 111 -.4857 .8830 999.9900 .9587 .4206 .4442 -2.4029 -.4347 -1.2548 -.1768 112 ALA 112 -1.1448 999.9900 999.9900 999.9900 -.2278 -.6863 -.1160 .5707 .2846 -.2295 113 VAL 113 -.3548 999.9900 -.2457 999.9900 -.3121 -.3042 -.0593 .6249 .3398 -.0694 114 LYS 114 -.3161 .0031 999.9900 1.2950 .5062 .5567 -.3283 .4631 .1334 .4169 115 THR 115 .2973 999.9900 -.8810 999.9900 .9813 .1325 -.0627 .5830 .3140 .1836 116 TYR 116 .3730 .4149 999.9900 999.9900 -.4027 .1284 .3015 .4488 .3874 .2271 117 MET 117 -.6588 -2.5481 999.9900 .9587 -1.9874 -1.0589 .3613 .4751 .4277 -.5666 118 TRP 118 -.2452 -.0403 999.9900 999.9900 -1.6678 -.6511 .5317 .3853 .4463 -.2073 119 ILE 119 .5785 -3.0500 999.9900 999.9900 .4912 -.6601 .2770 .4644 .3863 -.2478 120 ASN 120 1.3908 .2165 999.9900 999.9900 .3127 .6400 .4296 .4259 .4274 .5551 121 LYS 121 -3.0472 -.0529 999.9900 .2868 .3573 -.4338 -.2035 -.2877 -.2526 -.3801 122 ALA 122 -3.0686 999.9900 999.9900 999.9900 .5367 -1.2660 .6368 .6224 .6284 -.3182 123 ASP 123 -.9954 -1.2611 999.9900 999.9900 .6587 -.5326 .3234 .4430 .3932 -.1663 124 PRO 124 .0709 999.9900 999.9900 999.9900 .2426 .1568 .6561 .3892 .5004 .3397 125 ASP 125 1.1359 -1.6521 999.9900 999.9900 .6310 .0383 .2122 .4471 .3492 .1548 126 MET 126 -1.6625 -2.5481 999.9900 .9587 -.1136 -.8414 -1.1407 -.9353 -1.0209 -.9069 127 PHE 127 -1.5081 .5902 999.9900 999.9900 -.0962 -.3381 -1.7319 .0275 -.7056 -.5437 128 GLY 128 -2.9723 999.9900 999.9900 999.9900 -1.7465 -2.3594 -3.4464 -.3030 -1.7001 -2.1171 129 GLU 129 -.6811 -.2670 999.9900 .3501 -.1867 -.1962 -.9481 .4638 -.1245 -.2115 130 TRP 130 -.3273 -2.6463 999.9900 999.9900 -1.6678 -1.5471 .1613 -.0721 .0252 -.9104 131 ASN 131 -3.4329 -2.0766 999.9900 999.9900 -.5831 -2.0309 -.7377 -.2827 -.4723 -1.4226 132 PHE 132 .4032 .2821 999.9900 999.9900 .7573 .4809 .5164 .3661 .4287 .4650 133 GLU 133 -.1187 .4305 999.9900 -1.0323 .2101 -.1276 .5458 .3269 .4181 .0604 134 GLU 134 .5470 .8034 999.9900 .3501 .6424 .5857 .3426 .5725 .4767 .5430 135 TRP 135 .5979 -.5700 999.9900 999.9900 .0811 .0364 .5915 .4226 .4930 .2246 136 LYS 136 1.0429 -2.9005 999.9900 .2495 -.2082 -.3133 .3482 .2065 .2656 -.1446 137 ARG 137 .9011 .0477 999.9900 .1593 .7064 .3948 .4776 .4269 .4480 .4112 138 LEU 138 .2140 -1.6462 999.9900 999.9900 .5787 -.2845 .3167 .6125 .4893 .0152 139 HIS 139 .8571 -.8163 999.9900 999.9900 -.6493 -.2028 .5259 .5206 .5228 .0876 140 LYS 140 .9480 .7568 999.9900 .4405 -.1497 .4872 .5752 .5963 .5875 .5154 141 LYS 141 1.0429 -.3256 999.9900 -.0397 .6805 .2637 .4699 .1751 .2979 .2805 142 LYS 142 1.0429 .7114 999.9900 .1731 -.6710 .2859 -.4703 .0523 -.1655 .1445 143 PHE 143 .6090 .0348 999.9900 999.9900 .5949 .4129 -.0630 .2657 .1287 .2883 144 ILE 144 .6852 -.2247 999.9900 999.9900 .7362 .3989 .0053 .4843 .2847 .3373 145 GLU 145 .6116 .4305 999.9900 -1.0323 .3899 .0999 .4660 .6229 .5576 .2481 146 THR 146 .7219 999.9900 .7650 999.9900 .1586 .5485 .1379 .3192 .2437 .4205 147 PHE 147 .6090 -.4548 999.9900 999.9900 .5495 .2345 .3517 .1834 .2535 .2477 148 LYS 148 1.0429 -2.9005 999.9900 .8416 .2547 .0160 .2067 .3075 .2655 .0849 149 LYS 149 .6780 1.1488 999.9900 -.4035 .2547 .2549 .5281 .6604 .6053 .3518 150 ILE 150 .2963 .6227 999.9900 999.9900 -1.2029 -.0946 .4778 .3166 .3837 .1021 151 MET 151 1.1168 .6585 999.9900 .9587 -.3043 .6074 .4941 .5366 .5189 .5768 152 GLU 152 .8733 .4305 999.9900 -1.0323 .3568 .1571 .6603 .4711 .5499 .2933 153 CYS 153 1.0802 999.9900 .1296 999.9900 -.6280 .1939 .6905 .6513 .6676 .3847 154 LYS 154 .3654 .0031 999.9900 1.5258 -.4892 .5862 .6424 .3484 .4709 .5603 155 LYS 155 -3.5196 .8340 999.9900 .3240 -.5755 -.5226 .5423 -.2225 .0962 -.3276 156 LYS 156 -3.5196 1.1488 999.9900 .1731 -.6710 -.5391 .2337 .0411 .1214 -.3458 157 PRO 157 -2.8996 999.9900 999.9900 999.9900 -.6674 -1.7835 .2155 .3407 .2885 -.7527 158 GLN 158 -1.9302 -.4838 999.9900 1.3059 -.5521 -.4151 .4541 .4357 .4434 -.1284 159 GLY 159 -1.1938 999.9900 999.9900 999.9900 -1.3818 -1.2878 -.6006 .5380 .0319 -.6596 160 GLN 160 -3.1236 -.4838 999.9900 1.3059 .2680 -.5084 .2864 .5084 .4159 -.2065 161 GLY 161 -1.1938 999.9900 999.9900 999.9900 .7883 -.2028 -.0730 .6530 .3303 .0436 162 ASN 162 -.4415 -.2921 999.9900 999.9900 .5940 -.0465 .3684 .5801 .4919 .1618 163 ASP 163 -1.5212 -2.4630 999.9900 999.9900 -.4783 -1.4875 .2134 .4970 .3789 -.7504 164 ASP 164 -.9954 -1.2961 999.9900 999.9900 -1.8780 -1.3898 .0212 .4532 .2732 -.7390 165 ILE 165 -.3358 -3.0500 999.9900 999.9900 .1689 -1.0723 -.9180 -.0476 -.4103 -.8365 166 SER 166 -.5665 999.9900 -.7153 999.9900 .5740 -.2360 .5288 .5609 .5475 .0764 167 HIS 167 -.6701 -1.5062 999.9900 999.9900 -.1902 -.7889 .0146 .2256 .1377 -.4253 168 VAL 168 -.6924 999.9900 -.5532 999.9900 -.1376 -.4610 -.9850 .6062 -.0568 -.3524 169 LEU 169 -.0792 .8730 999.9900 999.9900 -1.5756 -.2606 -.9988 .2447 -.2734 -.3072 170 ARG 170 -.3136 -.1448 999.9900 .7862 -2.3710 -.2514 -1.1537 .2021 -.3628 -.3155 171 GLU 171 -2.3953 -.4402 999.9900 -1.0323 -2.5035 -1.5928 -.3485 -.7595 -.5882 -1.2465 172 ASP 172 -1.3105 -1.1062 999.9900 999.9900 -.1266 -.8478 .4072 .5059 .4648 -.3260 173 GLN 173 999.9900 -2.6982 999.9900 1.3059 999.9900 -.6962 -.1401 -.0712 -.1007 -.4009 Means: -.4778 -.4121 -.0750 .3212 -.0852 -.2165 -.0018 .3920 .2273 -.0614 2.00 refined_10