1 GLY 1 999.9900 999.9900 999.9900 999.9900 .8277 .8277 .1546 .5779 .3663 .5201 2 SER 2 -.4057 999.9900 -.0289 999.9900 -.5437 -.3261 .1370 .6810 .4544 -.0320 3 ASP 3 -.5648 -.5192 999.9900 999.9900 .6026 -.1605 .4787 .2157 .3253 .0426 4 PRO 4 .4216 999.9900 999.9900 999.9900 .8563 .6389 .2838 .5408 .4337 .5256 5 GLY 5 -1.3427 999.9900 999.9900 999.9900 .6270 -.3578 -.0134 .3868 .2089 -.0856 6 PRO 6 .6171 999.9900 999.9900 999.9900 .4949 .5560 .6524 .5238 .5774 .5721 7 GLU 7 .8604 -.5578 999.9900 -1.0323 .0814 -.1621 .6204 .6090 .6137 .0968 8 ALA 8 .7636 999.9900 999.9900 999.9900 .7881 .7758 .2875 .6209 .4820 .6150 9 ALA 9 .9879 999.9900 999.9900 999.9900 .7881 .8880 .3888 .6451 .5383 .7025 10 ARG 10 1.1353 .7238 999.9900 .5548 .7064 .7350 .3340 .4485 .4008 .6368 11 LEU 11 .9913 .3419 999.9900 999.9900 .5293 .6208 -.2744 .4972 .1757 .4171 12 ARG 12 1.1353 1.0644 999.9900 2.0185 .6379 1.3749 .4465 .5239 .4916 1.1207 13 PHE 13 1.2230 .3192 999.9900 999.9900 -1.2178 .1081 -.1137 .3104 .1337 .1042 14 ARG 14 -.0126 -2.8571 999.9900 .7862 .0662 -.2462 .5468 .6720 .6199 -.0018 15 CYS 15 .1379 999.9900 .8629 999.9900 .6355 .5454 .5632 .6535 .6159 .5706 16 PHE 16 -.2664 -.6014 999.9900 999.9900 .6382 -.0765 .3759 .4723 .4321 .1237 17 HIS 17 -.1228 -.0777 999.9900 999.9900 -.6493 -.2833 -1.4666 .3295 -.4189 -.3974 18 TYR 18 .0406 -1.2283 999.9900 999.9900 .7393 -.1495 -.7248 .2289 -.1685 -.1889 19 GLU 19 -1.6894 -.7564 999.9900 -1.0323 .2101 -.8170 .0874 .0852 .0861 -.5159 20 GLU 20 .6116 -.1887 999.9900 -1.0323 .2865 -.0807 .4695 .3058 .3740 .0754 21 ALA 21 .5799 999.9900 999.9900 999.9900 -.1496 .2152 -.9683 -.0582 -.4374 -.1491 22 THR 22 -.2485 999.9900 -.8810 999.9900 .6112 -.1728 -.6612 -1.4008 -1.0927 -.5161 23 GLY 23 -1.4779 999.9900 999.9900 999.9900 .2296 -.6241 .2914 .3072 .3002 -.1624 24 PRO 24 .4698 999.9900 999.9900 999.9900 .4021 .4359 .5770 .5521 .5625 .5003 25 GLN 25 .9013 -1.3908 999.9900 1.3059 .7055 .3805 .4096 .0356 .1915 .3279 26 GLU 26 .6833 .8332 999.9900 .3501 -1.2865 .1450 .5603 .4345 .4870 .2625 27 ALA 27 .8241 999.9900 999.9900 999.9900 .0212 .4227 .6570 .6513 .6536 .5384 28 LEU 28 .8786 .8730 999.9900 999.9900 .9730 .9082 .5151 .4858 .4980 .7451 29 ALA 29 .8241 999.9900 999.9900 999.9900 .6390 .7316 .5752 .6333 .6091 .6679 30 GLN 30 1.0381 .7982 999.9900 1.3059 .1188 .8153 .3456 .3577 .3526 .6607 31 LEU 31 .8182 .6236 999.9900 999.9900 .5787 .6735 .2175 .5815 .4299 .5639 32 ARG 32 1.1353 .7037 999.9900 .6901 .1299 .6698 -.1356 .6147 .3021 .5469 33 GLU 33 .8733 -.2267 999.9900 -1.0323 .5923 .0516 .4310 .2887 .3480 .1544 34 LEU 34 1.1349 .8710 999.9900 999.9900 -.0758 .6434 .4362 .5718 .5153 .5876 35 CYS 35 1.4696 999.9900 .1296 999.9900 .0994 .5662 .4426 .3968 .4159 .5076 36 ARG 36 .6655 -1.7413 999.9900 .7862 -.2445 .0504 -.5291 .0383 -.1981 -.0341 37 GLN 37 .9732 .5127 999.9900 1.3059 .6605 .8631 .6309 .5237 .5684 .7678 38 TRP 38 -.1038 -1.0414 999.9900 999.9900 -.1614 -.4355 .4333 -.0082 .1758 -.1763 39 LEU 39 -.8032 -2.5464 999.9900 999.9900 .9730 -.7922 .2232 -.2788 -.0696 -.4864 40 ARG 40 -2.9267 1.0644 999.9900 .9503 -.0022 .0072 .6158 .0857 .3066 .1054 41 PRO 41 .0709 999.9900 999.9900 999.9900 .7944 .4326 .5736 .4273 .4883 .4665 42 GLU 42 .8171 -.2267 999.9900 .3501 -.4821 .1146 .5201 .5367 .5298 .2525 43 VAL 43 -1.4203 999.9900 -.5532 999.9900 .5258 -.4826 .5116 .4777 .4918 -.0917 44 ARG 44 -.2612 1.1699 999.9900 .7862 .9385 .6839 -.6894 .3779 -.0668 .4440 45 SER 45 -.9779 999.9900 -.0289 999.9900 -.1244 -.3770 .1328 .3872 .2812 -.1222 46 LYS 46 1.0429 -.0529 999.9900 .4411 .5595 .4864 .5265 .1915 .3311 .4500 47 GLU 47 .7157 -.7281 999.9900 -1.0323 .2491 -.1989 .0755 -.0987 -.0261 -.1365 48 GLN 48 .9732 .5127 999.9900 2.7911 1.1269 1.3510 .6661 .5587 .6034 1.1048 49 MET 49 1.1168 .8879 999.9900 .9587 -.1136 .7125 .1146 .5774 .3846 .5903 50 LEU 50 .8182 -1.5262 999.9900 999.9900 .6486 -.0198 .1940 .4535 .3453 .1176 51 GLU 51 .7157 .7809 999.9900 -1.0323 .3568 .2052 -.0242 .5114 .2883 .2180 52 LEU 52 .8475 .8730 999.9900 999.9900 .3346 .6850 .3160 .6783 .5274 .6099 53 LEU 53 -.0169 -.6141 999.9900 999.9900 -1.5756 -.7355 .0513 .2908 .1910 -.3729 54 VAL 54 1.0462 999.9900 .4980 999.9900 .2853 .6098 .5552 .5113 .5296 .5792 55 LEU 55 .8182 .5563 999.9900 999.9900 -.2242 .3835 .6686 .5207 .5823 .4679 56 GLU 56 .8604 -.6022 999.9900 1.1588 .5923 .5023 .6214 .6715 .6506 .5503 57 GLN 57 .6461 -2.6982 999.9900 1.3059 .1963 -.1375 .3609 .4641 .4211 .0458 58 PHE 58 1.2168 .8308 999.9900 999.9900 .7573 .9350 .5521 .6392 .6029 .7992 59 LEU 59 1.1349 .8730 999.9900 999.9900 .8331 .9470 .3506 .5490 .4663 .7481 60 GLY 60 -.2363 999.9900 999.9900 999.9900 .0656 -.0853 .5255 .6984 .6215 .2633 61 ALA 61 -.1584 999.9900 999.9900 999.9900 -.1129 -.1356 .5668 .5489 .5564 .2111 62 LEU 62 -1.0000 .9108 999.9900 999.9900 .4774 .1294 .6191 -.0096 .2524 .1995 63 PRO 63 .4197 999.9900 999.9900 999.9900 -.1935 .1131 .5598 .2851 .3996 .2678 64 PRO 64 -1.5682 999.9900 999.9900 999.9900 .5793 -.4945 .4993 .4567 .4745 -.0082 65 GLU 65 .8733 -.2533 999.9900 -1.0323 .5390 .0317 .5171 .5153 .5160 .1932 66 ILE 66 .6852 .0348 999.9900 999.9900 .9338 .5513 .3821 .5948 .5062 .5261 67 GLN 67 1.2265 .6816 999.9900 1.3059 .7055 .9799 .5765 .6606 .6256 .8594 68 ALA 68 .8001 999.9900 999.9900 999.9900 .2671 .5336 .6485 .6613 .6560 .5942 69 ARG 69 .8469 .1897 999.9900 .5548 -.4506 .3391 .4098 .5626 .4989 .3811 70 VAL 70 .5646 999.9900 .5873 999.9900 -1.0415 .0368 .1349 .5897 .4002 .1670 71 GLN 71 .7451 .2115 999.9900 1.3059 .2680 .6326 .3183 .6472 .5101 .5827 72 GLY 72 -.0858 999.9900 999.9900 999.9900 -.9224 -.5041 .4310 .5567 .5008 -.0051 73 GLN 73 -2.3919 .6816 999.9900 1.3059 -1.2230 -.4069 .6503 .6053 .6240 -.0620 74 ARG 74 -2.9267 -2.3766 999.9900 .1593 .4407 -.9088 .2498 -.4217 -.1419 -.6737 75 PRO 75 .4216 999.9900 999.9900 999.9900 .4949 .4582 .4237 .4639 .4471 .4510 76 GLY 76 .9055 999.9900 999.9900 999.9900 -.6865 .1095 .3373 .5864 .4757 .2857 77 SER 77 .0135 999.9900 -.7153 999.9900 -.1244 -.2754 .2225 .3272 .2836 -.0553 78 PRO 78 .4216 999.9900 999.9900 999.9900 .5793 .5004 .5091 .3168 .3969 .4567 79 GLU 79 .8733 1.0525 999.9900 -1.0323 -.1261 .1918 .5854 .5458 .5623 .3164 80 GLU 80 .8171 -.3559 999.9900 -1.0323 -.1867 -.1895 .2677 .5992 .4611 .0182 81 ALA 81 .8241 999.9900 999.9900 999.9900 .3801 .6021 .6535 .6339 .6421 .6229 82 ALA 82 .5799 999.9900 999.9900 999.9900 .6708 .6254 -.2629 .5509 .2118 .3847 83 ALA 83 .3637 999.9900 999.9900 999.9900 .9520 .6579 .1458 .3439 .2613 .4514 84 LEU 84 .8475 -3.3760 999.9900 999.9900 .5787 -.6499 .1613 -1.5793 -.8540 -.6736 85 VAL 85 .3707 999.9900 .4980 999.9900 -.2503 .2061 .6334 .2356 .4013 .2975 86 ASP 86 1.1285 -.5059 999.9900 999.9900 .5431 .3886 .6242 .6502 .6393 .4880 87 GLY 87 -.2363 999.9900 999.9900 999.9900 .8016 .2826 .5575 .6594 .6141 .4455 88 LEU 88 -.8032 .3419 999.9900 999.9900 -.6084 -.3565 -1.8875 .2884 -.6183 -.5338 89 ARG 89 -.9221 -.2334 999.9900 .6901 -.2445 -.0040 -2.4057 .1848 -.8946 -.3201 90 ARG 90 -2.5097 .0043 999.9900 .5548 -1.7309 -.6253 .2304 .4520 .3597 -.3492 91 GLU 91 -3.2255 -.2267 999.9900 -1.0323 -.7952 -1.3199 .5501 .1395 .3106 -.7650 92 PRO 92 -2.2783 999.9900 999.9900 999.9900 .8563 -.7110 .1453 .3814 .2830 -.2239 93 GLY 93 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 -.2294 .6615 .2655 -.0644 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .5192 .3841 .4613 .4516 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .5943 .5943 .0087 .6894 .3977 .4308 96 SER 302 -2.0349 999.9900 -.7153 999.9900 .5215 -.7429 .0244 .5797 .3483 -.3249 97 ASP 303 -.0745 -1.4542 999.9900 999.9900 .6587 -.2900 .4541 .3959 .4202 -.0040 98 PRO 304 .3509 999.9900 999.9900 999.9900 .3519 .3514 .3264 .5458 .4544 .3937 99 GLY 305 -1.3427 999.9900 999.9900 999.9900 -.3452 -.8439 .0102 .4662 .2636 -.3028 100 PRO 306 .3509 999.9900 999.9900 999.9900 .2989 .3249 .5667 .4469 .4968 .4158 101 GLU 307 .8733 -.3402 999.9900 -1.0323 .2865 -.0532 .5733 .5746 .5741 .1559 102 ALA 308 .6496 999.9900 999.9900 999.9900 -.1129 .2684 .6505 .5734 .6056 .4402 103 ALA 309 .9879 999.9900 999.9900 999.9900 .3801 .6840 .6446 .6375 .6404 .6625 104 ARG 310 1.1353 .3358 999.9900 .1593 .2455 .4071 .4248 .4882 .4618 .4212 105 LEU 311 1.1349 .3419 999.9900 999.9900 .4504 .6424 -.0690 .4646 .2423 .4646 106 ARG 312 -.1386 1.0644 999.9900 .6901 .6017 .5815 .4005 .5948 .5139 .5576 107 PHE 313 1.2230 .0059 999.9900 999.9900 -2.2412 -.3374 .0444 .2948 .1905 -.1346 108 ARG 314 -.2684 -2.3766 999.9900 1.0856 .9385 .0929 .4775 .6616 .5849 .2291 109 CYS 315 -.2798 999.9900 .1296 999.9900 .5249 .1249 .4826 .6475 .5788 .3010 110 PHE 316 -.8057 -.6014 999.9900 999.9900 .2172 -.3966 .0326 .5993 .3632 -.1116 111 HIS 317 -.4783 -3.1083 999.9900 999.9900 -.3908 -1.3258 -1.2422 .3472 -.3150 -.9745 112 TYR 318 -.5013 .5380 999.9900 999.9900 .5127 .1831 -2.3871 -.1950 -1.1084 -.4066 113 GLU 319 -1.0962 -.6022 999.9900 -1.0323 .5112 -.5549 -.7746 .4376 -.0675 -.4261 114 GLU 320 .1449 -.1887 999.9900 -1.0323 1.0761 .0000 .3414 .3157 .3264 .1095 115 ALA 321 .5799 999.9900 999.9900 999.9900 .8416 .7108 .4965 .2796 .3699 .5494 116 THR 322 -.2485 999.9900 -.8810 999.9900 .3342 -.2651 .2501 .3824 .3273 -.0326 117 GLY 323 -1.4779 999.9900 999.9900 999.9900 .0951 -.6914 .6189 .2271 .4012 -.1342 118 PRO 324 .4698 999.9900 999.9900 999.9900 .6931 .5815 .5380 .5843 .5650 .5713 119 GLN 325 .9013 -1.3908 999.9900 1.3059 .9038 .4300 .1613 .2310 .2020 .3521 120 GLU 326 .6833 .8034 999.9900 .3501 -.3984 .3596 .4799 .5845 .5409 .4171 121 ALA 327 .9879 999.9900 999.9900 999.9900 .0817 .5348 .6276 .6629 .6482 .5900 122 LEU 328 .8786 .8730 999.9900 999.9900 .7753 .8423 .5965 .5173 .5503 .7281 123 ALA 329 .9879 999.9900 999.9900 999.9900 .0817 .5348 .3156 .6379 .5036 .5058 124 GLN 330 .6461 1.1815 999.9900 1.3059 .7898 .9808 .3515 .3852 .3712 .7767 125 LEU 331 .8182 .9108 999.9900 999.9900 .6486 .7925 .4054 .4952 .4578 .6556 126 ARG 332 .9556 .8024 999.9900 .1593 .5640 .5281 -.1490 .6364 .3091 .4469 127 GLU 333 .8733 -.3719 999.9900 -1.0323 .0339 -.1243 .5108 .2022 .3308 .0360 128 LEU 334 1.1349 .8730 999.9900 999.9900 .4774 .8284 .5909 .6701 .6371 .7493 129 CYS 335 .8160 999.9900 .1296 999.9900 .5249 .4902 .5211 .6295 .5843 .5242 130 ARG 336 .8354 -1.8960 999.9900 .1593 -.2445 -.1973 -.4089 .1327 -.0929 -.1804 131 GLN 337 .0311 1.1250 999.9900 1.3059 .0346 .6241 .3198 .5680 .4646 .5641 132 TRP 338 -2.2560 -.7344 999.9900 999.9900 .2792 -.9038 .2654 -.0835 .0618 -.5059 133 LEU 339 .0401 -1.8410 999.9900 999.9900 -.0308 -.6106 .3642 -.3748 -.0669 -.3685 134 ARG 340 -2.9267 .3495 999.9900 .7862 .6379 -.0734 .6758 .4366 .5363 .1065 135 PRO 341 .0709 999.9900 999.9900 999.9900 .2989 .1849 .5763 .3820 .4629 .3320 136 GLU 342 1.0761 -.2670 999.9900 -1.0323 -1.5390 -.4406 .4229 .0899 .2286 -.2083 137 VAL 343 -1.4203 999.9900 -.2457 999.9900 .8960 -.2567 .3603 .5941 .4967 .0369 138 ARG 344 -.5614 1.1781 999.9900 .1593 .7064 .3283 -.5731 .3698 -.0231 .2055 139 SER 345 -.4961 999.9900 -.7153 999.9900 .5991 -.2041 -.2632 .4287 .1404 -.0894 140 LYS 346 1.0429 -.4196 999.9900 .3240 -1.0384 .0466 .0732 .1859 .1390 .0703 141 GLU 347 .8604 -2.8418 999.9900 -1.0323 .2865 -.6818 .2851 -.3592 -.0907 -.4669 142 GLN 348 -.0365 .4956 999.9900 1.3059 .6605 .6064 .6260 .5240 .5665 .5959 143 MET 349 .8846 .8830 999.9900 .9587 .0476 .6935 .4703 .6203 .5578 .6441 144 LEU 350 .8182 -1.6462 999.9900 999.9900 -1.0998 -.6426 .4121 .4401 .4284 -.2151 145 GLU 351 1.0761 .8332 999.9900 -1.0323 .2865 .2909 .1887 .4984 .3693 .3084 146 LEU 352 1.1349 .8730 999.9900 999.9900 .4774 .8284 .3887 .6040 .5143 .6956 147 LEU 353 .6509 .1629 999.9900 999.9900 -.6084 .0685 .2142 .1224 .1607 .1084 148 VAL 354 .7683 999.9900 .7395 999.9900 .2144 .5741 .5562 .6147 .5904 .5786 149 LEU 355 .8182 -2.3037 999.9900 999.9900 .6926 -.2643 .3473 .3059 .3231 -.0280 150 GLU 356 .7157 .4207 999.9900 -1.0323 .4526 .1392 .4029 .4946 .4564 .2424 151 GLN 357 .6461 -2.2325 999.9900 1.3059 -.1596 -.1100 .2721 .3311 .3065 .0272 152 PHE 358 1.2168 .8308 999.9900 999.9900 .6382 .8953 .6521 .6298 .6391 .7935 153 LEU 359 1.1349 .5402 999.9900 999.9900 .7348 .8033 .5260 .3753 .4381 .6622 154 GLY 360 -.4135 999.9900 999.9900 999.9900 .0351 -.1892 .6345 .7000 .6709 .2391 155 ALA 361 .5364 999.9900 999.9900 999.9900 -.6283 -.0459 .6074 .5754 .5888 .2727 156 LEU 362 -.7094 .9108 999.9900 999.9900 -.0758 .0419 .5754 .1980 .3553 .1798 157 PRO 363 .4197 999.9900 999.9900 999.9900 -.5244 -.0523 .4285 -.0493 .1498 .0686 158 PRO 364 -1.5682 999.9900 999.9900 999.9900 .6188 -.4747 .4754 .5047 .4925 .0077 159 GLU 365 .7157 -.4402 999.9900 -1.0323 .2491 -.1269 .3945 .6176 .5247 .0841 160 ILE 366 .6852 .6227 999.9900 999.9900 .5300 .6126 .4835 .6261 .5667 .5895 161 GLN 367 1.2265 .6816 999.9900 1.3059 .6133 .9568 .4830 .6099 .5570 .8200 162 ALA 368 .8001 999.9900 999.9900 999.9900 .8152 .8077 .6982 .6394 .6639 .7382 163 ARG 369 1.1353 -.3921 999.9900 .1593 -.2445 .1635 .5219 .4429 .4758 .2546 164 VAL 370 .7260 999.9900 .1416 999.9900 -1.0415 -.0580 .1181 .5547 .3728 .0998 165 GLN 371 .1632 .2115 999.9900 3.6599 .2680 1.0756 .2917 .5078 .4177 .8503 166 GLY 372 -.0858 999.9900 999.9900 999.9900 -.0291 -.0575 .3582 .6736 .5334 .2292 167 GLN 373 -3.1236 .6816 999.9900 1.3059 -2.2865 -.8557 .6690 .5533 .6015 -.3667 168 ARG 374 -2.9267 -2.3766 999.9900 .6901 .4407 -.6965 .5154 -.8810 -.2992 -.5497 169 PRO 375 -.3299 999.9900 999.9900 999.9900 .2989 -.0155 .4741 .5743 .5326 .2543 170 GLY 376 .9055 999.9900 999.9900 999.9900 .0656 .4856 -.0570 .5977 .3067 .3780 171 SER 377 .2241 999.9900 -.0289 999.9900 -1.1621 -.3223 .2826 .3163 .3023 -.0736 172 PRO 378 .0709 999.9900 999.9900 999.9900 -.5244 -.2267 .4773 .5180 .5010 .1355 173 GLU 379 .6833 1.0525 999.9900 -1.0323 -.4821 .0553 .3459 .5637 .4730 .1885 174 GLU 380 .8733 -.2267 999.9900 1.7325 .3223 .6753 .2903 .5286 .4293 .5867 175 ALA 381 .6648 999.9900 999.9900 999.9900 .7881 .7264 .6452 .6188 .6298 .6792 176 ALA 382 .5799 999.9900 999.9900 999.9900 .8416 .7108 -.3073 .5396 .1867 .4135 177 ALA 383 .3637 999.9900 999.9900 999.9900 .4419 .4028 .2182 .4630 .3610 .3717 178 LEU 384 .9913 -3.3760 999.9900 999.9900 -.1229 -.8359 .0533 -1.5632 -.8896 -.8035 179 VAL 385 .5660 999.9900 .1416 999.9900 .5776 .4284 .6820 .4456 .5441 .4825 180 ASP 386 1.3227 -.5059 999.9900 999.9900 .4469 .4212 .5708 .6389 .6105 .4947 181 GLY 387 -1.7079 999.9900 999.9900 999.9900 -.7584 -1.2332 .5769 .5985 .5889 -.3227 182 LEU 388 -.2213 -2.1315 999.9900 999.9900 -1.3910 -1.2480 .5758 -.1622 .1453 -.6661 183 ARG 389 -.4636 -.1448 999.9900 .1593 -.0022 -.0584 -1.7150 .4942 -.4263 -.2161 184 ARG 390 -.0126 -1.1343 999.9900 .1593 -.2445 -.2145 .3878 .2548 .3102 -.0614 185 GLU 391 -2.8104 -.2267 999.9900 -1.0323 .3899 -.9199 .6063 .0396 .2757 -.5056 186 PRO 392 -1.2813 999.9900 999.9900 999.9900 -.1935 -.7374 .4946 .6864 .6065 -.0734 187 GLY 393 -.3903 999.9900 999.9900 999.9900 .8016 .2056 -.2948 .7045 .2604 .2052 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -1.0269 .1670 -.4300 -.4300 Means: .1569 -.2159 -.0468 .3939 .1796 .1236 .2610 .3929 .3376 .2023 2.00 refined_19