NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 I 4.3113 8.0249 121.3965 61.0329 38.7131 174.7050 22 K 4.1860 8.4917 127.2320 55.5038 33.6203 174.3553 23 K 4.4658 10.4074 126.0670 54.4859 35.0586 174.9278 24 I 4.9813 7.9618 126.0058 59.3723 40.6164 174.7404 25 S 5.3690 8.8408 121.9360 57.2948 65.5718 173.1543 26 I 5.0334 9.2363 123.8697 60.0946 38.5006 174.5661 27 E 5.2029 9.8127 127.0865 54.1205 33.1803 175.7240 28 G 4.0363 8.3614 109.0086 46.4046 0.0000 171.4041 29 N 4.8646 7.9509 118.7783 52.2418 39.9468 173.8441 30 I 4.0609 8.3575 121.4500 62.5952 37.1616 176.0600 31 A 3.7778 9.0643 125.2959 52.8691 16.2238 178.5686 32 A 3.7023 7.8063 123.0097 55.8588 18.5580 179.5879 33 G 4.5081 7.8637 104.3491 46.0434 0.0000 176.2210 34 K 4.1251 8.6229 121.4371 59.3592 32.1237 179.2254 35 S 4.2078 8.1610 114.9192 61.9957 63.0006 176.5928 36 T 3.9159 8.0745 117.9089 66.6704 68.1694 176.2773 37 F 4.5973 8.4959 122.7062 61.4436 39.5641 177.7777 38 V 3.3708 8.1174 118.9018 64.5748 30.9016 177.6987 39 N 4.3553 8.3076 117.7558 56.6778 38.4684 176.9033 40 I 3.5899 6.9213 119.2731 63.8313 37.4205 178.1404 41 L 4.0783 7.6359 119.8683 58.2749 41.1493 179.8155 42 K 4.2693 8.3459 118.6329 59.7472 31.7907 178.7124 43 Q 3.9739 7.3971 116.2766 58.0584 28.7975 177.6906 44 L 4.0403 7.5721 119.7599 57.2454 42.0101 177.4180 45 S 4.2454 7.3459 114.1387 57.1901 65.3147 175.5132 46 E 4.0107 8.5571 122.7903 58.4625 29.8555 175.8955 47 D 4.7514 7.8105 115.2167 54.9224 41.3999 175.2544 48 W 5.8115 7.7682 119.9212 54.1280 31.5798 174.7237 49 E 4.8738 9.0437 125.1695 54.5792 32.6283 174.3857 50 V 5.0385 8.2821 114.3413 59.6169 35.1098 176.4094 51 V 4.3544 9.0669 126.0461 60.4494 31.9018 173.1751 52 P 4.9081 0.0000 0.0000 62.0493 32.2985 176.2802 53 E 3.8743 8.7120 121.5953 56.5835 30.3676 177.1733 54 P 4.3082 0.0000 0.0000 62.1330 29.0129 178.0669 55 V 2.8050 6.8055 119.7362 65.2144 31.5843 177.7896 56 A 3.9863 7.6744 120.2421 55.1060 17.9860 179.3366 57 R 4.0856 7.6359 116.6872 59.1885 30.1148 179.3133 58 W 4.6124 7.8765 118.3763 59.6111 28.8392 177.9380 59 S 5.1205 8.4286 113.8987 59.0463 62.9150 173.4993 60 N 5.0374 7.6171 119.2804 52.5266 39.4479 173.9024 61 V 3.7070 8.5896 123.9430 64.2833 31.3886 176.3584 *77 N 4.5344 7.3991 116.7675 53.7378 40.7631 175.2798 78 G 3.8650 8.3282 107.4164 45.8482 0.0000 172.3846 79 G 3.6620 8.4683 106.8893 46.2337 0.0000 172.7876 80 N 5.1874 8.8489 123.0745 51.4627 38.7659 175.6099 81 V 3.5939 8.6436 127.9571 63.8267 31.8490 178.0109 82 L 3.7910 8.2086 121.0114 58.2682 41.9521 178.5316 83 Q 4.0739 8.6691 119.5322 59.5950 29.1065 178.1935 84 M 3.9322 7.8595 119.7364 58.3159 31.2903 178.4565 85 M 4.0732 8.1407 118.7509 58.8291 32.1254 177.9750 86 Y 4.1242 7.3785 115.6398 61.0906 38.1171 177.9131 87 E 4.2695 8.3744 118.8546 58.3389 31.1948 177.8646 88 K 4.8327 8.0351 119.1232 53.4774 33.6330 174.1791 89 P 4.4811 0.0000 0.0000 64.9973 31.3200 178.4368 90 E 4.2086 8.0112 117.7177 58.5012 29.6245 178.5550 91 R 3.7826 7.7375 118.2679 57.8175 30.7638 177.2509 92 W 4.8978 7.8984 115.7327 56.4363 30.0540 177.9011 93 S 4.1815 8.0049 116.3920 61.6881 62.2505 176.2723 94 F 4.2227 8.2868 122.8148 61.4949 39.2320 177.2313 95 T 3.7420 8.0801 115.0002 66.4342 68.3407 176.2769 96 F 3.8320 8.3422 122.5082 61.2876 39.4532 176.8565 97 Q 3.7821 8.4130 119.4638 59.3666 28.7989 178.0439 98 T 3.4233 7.5571 116.8541 66.9923 68.3800 175.8483 99 Y 3.8134 7.6979 120.7092 60.3381 38.7879 177.5226 100 A 3.2023 7.9162 122.8900 54.8642 18.2528 179.1933 101 C 4.2035 7.8412 118.3345 62.0452 31.7766 175.0851 102 L 4.1549 7.8624 122.3299 58.6690 41.5935 179.2898 103 S 4.0013 7.9736 113.8378 61.3360 62.7172 176.7158 104 R 3.8790 8.0625 121.6539 59.1248 29.8447 179.0438 105 I 3.4891 7.6760 119.5581 64.2403 36.9842 178.3957 106 R 3.7197 7.7683 118.6546 59.3806 29.9770 178.7811 107 A 3.9086 7.8508 119.9984 55.4280 18.1593 179.7881 108 Q 3.6433 7.7637 115.2588 58.7399 28.6418 178.4603 109 L 4.0287 8.2867 120.0966 57.8692 41.3617 179.4404 110 A 3.9813 8.2047 120.8767 55.3368 18.0285 179.7160 111 S 4.2241 7.8874 112.4089 60.9488 63.0578 176.2061 112 L 4.4696 7.4523 120.7359 55.8197 42.0520 177.4464 113 N 4.7000 7.6895 118.3006 52.0462 37.9345 174.1951 *121 K 4.1626 8.0069 127.4224 54.4083 32.9039 171.2745 122 P 4.9371 0.0000 0.0000 62.2132 33.3168 176.2099 123 V 4.5787 8.9969 123.8517 60.6660 34.9935 173.8148 124 L 4.9656 8.3221 128.4588 53.2899 44.9086 174.9655 125 F 4.9750 9.0206 126.1285 56.4186 40.6594 174.9611 126 F 5.3243 9.4666 124.5495 56.4772 40.6702 174.9761 127 E 4.6316 9.3874 126.1083 56.1318 29.5439 177.4429 128 R 4.4651 9.5882 128.3428 56.0380 30.0774 175.8372 129 S 4.7225 7.9553 110.1377 57.0967 67.2017 176.1521 130 V 3.7108 8.0846 115.2184 64.3025 31.1421 178.6118 131 Y 4.3395 7.3858 116.6591 61.2670 37.9435 178.3815 132 S 4.3375 8.3902 114.8061 61.0263 63.1979 175.5960 133 D 4.5433 8.3606 122.0918 57.5072 40.8524 178.4669 134 R 4.2716 7.7235 119.3012 58.8319 30.1113 177.7471 135 Y 4.3642 8.1096 114.4235 59.8684 37.8730 176.8081 136 I 4.0424 7.5744 120.0183 63.1983 38.1125 177.6932 137 F 4.1599 8.5464 117.8214 60.4382 39.3031 177.9674 138 A 3.8880 8.4559 120.5921 55.2455 18.1337 179.3227 139 S 3.3732 8.4007 112.0058 61.6585 62.4175 176.1076 140 N 4.2296 7.7872 118.9519 56.5500 38.6359 176.8392 141 L 4.0337 8.0609 120.6296 57.6859 41.5729 178.9119 142 Y 4.0037 7.5028 119.0399 60.7910 38.4761 177.5185 143 E 3.5651 7.7338 118.1028 59.5353 29.6760 179.0689 144 S 4.2545 7.8372 112.0207 58.5088 62.9501 174.3290 145 E 3.7093 7.7744 120.3564 57.3928 27.0170 175.8014 146 S 4.3164 8.4918 118.5410 60.4369 63.3191 174.2427 147 M 4.8219 7.7897 118.6421 53.5102 34.1800 176.0637 148 N 4.8967 9.2595 120.9407 52.0255 40.9688 175.8265 149 E 4.3139 8.7209 118.4890 59.9974 29.5103 179.5157 150 T 3.8461 7.9426 115.3323 66.7505 68.5828 176.3573 151 E 3.5682 8.6269 120.6013 59.1637 29.4709 179.3678 152 W 4.5755 8.5375 128.3684 60.7628 30.6964 178.3027 153 T 3.6422 8.2267 116.0439 66.5321 67.8850 176.8447 154 I 3.7798 7.9310 121.8189 64.3649 37.2375 177.8759 155 Y 4.2284 8.5860 120.6626 60.9919 38.7526 178.1925 156 Q 3.6857 7.8841 118.9757 58.5617 28.7823 178.1216 157 D 4.2236 8.0948 119.1566 57.0950 41.2470 178.0768 158 W 4.1569 8.2296 128.7265 60.8439 30.6594 177.3795 159 H 3.6298 8.3376 118.4564 59.0240 29.2319 176.6410 160 D 4.3315 8.4056 121.1422 57.2957 40.7285 178.9688 161 W 3.9430 7.9111 128.0204 60.6911 30.8032 177.6255 162 M 3.5230 7.5981 118.7655 58.5314 31.2630 178.3883 163 N 4.1695 7.9144 116.8589 56.3471 38.8397 176.1693 164 N 4.0725 7.6821 117.5584 56.9863 39.0782 176.5656 165 Q 3.5379 7.0774 117.6079 57.7880 28.9154 177.7718 166 F 4.9340 7.9402 116.1818 56.8170 39.1140 177.5164 167 G 3.6328 8.1494 107.9624 47.9882 0.0000 176.0381 168 Q 4.2942 7.9973 119.2384 58.6409 28.8204 178.5992 169 S 4.4445 7.9618 113.7177 60.7183 63.5482 175.1841 170 L 4.8112 7.6072 120.4858 53.4214 41.7889 176.3879 171 E 4.1927 7.2428 120.5464 56.4732 29.5776 176.9396 172 L 4.4387 8.5967 124.5809 54.7469 42.5168 176.8134 173 D 4.5347 8.9048 122.9921 56.2625 41.8304 176.2724 174 G 4.2207 7.4636 103.6560 45.7475 0.0000 172.2338 175 I 5.1974 8.8980 120.6425 59.4490 40.9903 174.8839 176 I 4.4961 9.1256 128.4089 60.0411 38.9537 174.0749 177 Y 5.0643 8.7918 130.1250 56.0481 40.2170 174.7158 178 L 4.2975 8.5369 128.6713 53.7896 42.3547 176.1294 179 Q 4.0694 8.0846 126.5323 54.0763 30.5119 174.2529 180 A 5.1254 8.3037 127.3802 49.9154 22.5953 175.7481 181 T 3.8879 8.7096 111.1369 60.9213 69.6241 173.5333 182 P 4.2352 0.0000 0.0000 66.2357 31.2146 178.8240 183 E 3.9728 8.0642 116.6684 59.4972 29.4677 179.1152 184 T 3.9658 7.9651 115.8127 66.9876 68.4879 176.4565 185 C 4.1776 8.0941 118.5388 62.6265 27.8275 175.9034 186 L 3.9835 8.2056 122.1337 58.4906 41.7148 178.7542 187 H 4.4377 8.2688 116.0792 59.1786 28.7230 178.0659 188 R 4.0220 8.3862 119.8964 59.1889 29.8186 179.0717 189 I 3.6061 8.0122 119.9417 64.5574 36.8577 177.6784 190 Y 4.2957 7.4348 114.2991 60.3374 37.9527 177.1887 191 L 4.1095 8.0700 120.4011 56.8661 41.7410 178.4673 192 R 4.0561 8.0962 120.0935 58.5427 30.1877 177.8195 193 G 3.8783 7.9672 103.9890 46.1344 0.0000 173.6947 194 R 3.9558 7.8496 118.2880 56.0771 30.7345 177.5940 195 N 4.3293 8.7982 120.5342 56.6080 39.3772 176.8841 196 E 3.9526 8.1636 116.7479 58.8654 29.9767 177.3161 197 E 3.7601 7.6724 116.6338 55.9679 30.0569 177.9362 198 Q 3.8394 7.3619 117.3380 58.7389 28.6885 177.6206 199 G 3.7540 7.7961 105.0678 45.9843 0.0000 173.5146 200 I 3.6880 7.2237 121.9937 60.2760 37.5535 174.3810 201 P 4.4647 0.0000 0.0000 62.2728 32.1027 177.1850 202 L 4.0488 8.6455 121.9659 58.4652 41.9745 179.1254 203 E 4.1633 8.2983 118.1975 59.4847 29.3879 178.5362 204 Y 4.1934 7.9349 119.0545 60.8694 38.8759 178.1735 205 L 4.0211 8.0769 119.3964 57.7199 41.7412 179.2557 206 E 4.0141 8.4377 118.7055 59.2418 29.4430 179.3379 207 K 3.9428 8.0804 118.4578 59.6023 32.1227 179.3328 208 L 3.7887 7.7363 118.9516 57.8592 41.5058 178.7925 209 H 4.1692 8.5798 118.6334 59.6857 29.7466 176.4253 210 Y 4.0948 8.2614 120.9436 60.7353 38.6563 178.1713 211 K 3.8784 8.2388 119.2855 59.7263 32.0635 178.8495 212 H 4.0758 8.3625 116.3996 58.9818 28.6534 177.3434 213 E 3.9309 8.4720 120.6669 59.6521 29.2804 179.7282 214 S 4.0378 8.0850 114.3124 61.0264 62.6092 176.4089 215 W 4.1630 7.9720 131.0032 60.1839 30.6976 177.5152 216 L 3.7655 8.1302 117.2233 55.2060 40.7671 177.2106 217 L 4.3967 7.1392 117.6681 57.1275 43.3837 177.9664 218 H 4.4009 8.4210 115.1019 56.7752 28.9962 175.7731 219 R 4.0409 7.2254 114.3045 57.6081 28.2018 176.0765 220 T 4.5467 7.8706 102.3250 60.8267 69.0257 174.1665 *231 V 3.8659 7.5954 119.4568 62.8973 33.1047 173.5079 232 P 4.4711 0.0000 0.0000 63.0022 32.3225 175.0559 233 I 4.8533 8.4168 125.4013 59.3145 39.8264 174.6147 234 L 4.1003 7.8045 129.5602 53.8028 43.5142 175.0201 235 T 4.8457 8.2807 122.8422 61.8414 70.5201 173.5549 236 L 4.5005 8.3273 127.0892 52.6785 44.3116 175.2305 237 D 4.5894 8.5217 124.0387 53.5982 41.7342 175.9807 238 V 4.4083 7.9915 119.4503 61.2970 32.3762 176.9526 239 N 4.4315 8.6316 121.3371 56.0543 38.5842 175.6877 240 E 4.4468 7.9736 116.3486 54.7385 30.7697 175.5836 241 D 4.3299 8.5063 121.7328 55.0974 41.4417 176.8569 242 F 5.0367 8.1819 116.1995 56.1885 38.9538 176.9487 243 K 3.9362 7.9449 121.1328 59.0281 32.0461 177.1189 244 D 4.8513 7.7363 116.0615 54.9865 43.4353 176.9899 245 K 4.2575 7.9203 121.4366 55.3488 30.8186 175.9149 246 Y 4.9550 7.0028 117.1303 56.3711 39.3150 177.2301 247 E 4.0982 7.9803 120.7798 59.8032 29.6606 179.0800 248 S 4.1642 8.0576 114.7384 61.1276 63.2082 176.2699 249 L 4.0025 7.9787 122.2359 57.5565 41.4373 179.4612 250 V 3.7178 7.8830 117.6733 66.1409 31.3826 177.9403 251 E 4.0478 8.1522 118.3661 59.2038 29.2446 179.2676 252 K 4.1222 8.2410 119.7408 59.4035 32.2785 178.8786 253 V 3.7241 8.5001 118.8253 66.2851 31.2724 177.9690 254 K 4.1080 8.5420 116.9758 59.7861 32.3238 178.5801 255 E 4.1750 8.6831 119.6041 58.8251 29.6093 178.6161 256 F 4.3974 8.5774 121.0971 61.3977 39.2506 177.1978 257 L 3.7311 8.2224 118.7394 57.3365 41.1059 179.2363 258 S 4.3291 7.4773 112.3615 60.3715 63.3698 175.6658 259 T 4.0016 7.4274 112.6326 64.2536 69.0082 174.5132 260 L 4.0120 6.9756 126.0701 54.7315 41.4978 176.5709 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 21 I 8.02 4.31 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.06 0.83 0.00 0.00 22 K 8.49 4.19 0.00 1.47 1.52 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.53 7.81 23 K 10.41 4.47 0.00 1.60 1.23 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.81 1.18 7.81 24 I 7.96 4.98 1.43 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.95 1.16 0.00 0.00 25 S 8.84 5.37 0.00 4.25 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 9.24 5.03 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 1.07 0.00 0.00 27 E 9.81 5.20 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 28 G 8.36 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.95 4.86 0.00 2.80 2.78 0.00 0.00 6.89 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.36 4.06 2.04 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.01 1.04 0.00 0.00 31 A 9.06 3.78 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.81 3.70 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.86 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.62 4.13 0.00 1.95 2.02 0.00 1.98 0.00 0.00 1.96 0.00 0.00 3.23 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.62 1.64 7.81 35 S 8.16 4.21 0.00 3.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.07 3.92 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 37 F 8.50 4.60 0.00 3.35 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.12 3.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.92 0.00 0.00 39 N 8.31 4.36 0.00 2.91 3.00 0.00 0.00 7.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 6.92 3.59 1.65 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.63 0.03 0.00 0.00 41 L 7.64 4.08 0.00 1.52 1.39 -0.33 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.35 4.27 0.00 2.02 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.57 7.81 43 Q 7.40 3.97 0.00 1.85 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 44 L 7.57 4.04 0.00 1.66 1.45 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.35 4.25 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.56 4.01 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 47 D 7.81 4.75 0.00 2.69 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 7.77 5.81 0.00 3.31 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.04 4.87 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 50 V 8.28 5.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 51 V 9.07 4.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 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148 N 9.26 4.90 0.00 2.98 3.00 0.00 0.00 6.96 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.72 4.31 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 150 T 7.94 3.85 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 151 E 8.63 3.57 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.16 0.00 152 W 8.54 4.58 0.00 3.39 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 T 8.23 3.64 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 154 I 7.93 3.78 2.01 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 1.15 0.00 0.00 155 Y 8.59 4.23 0.00 3.42 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 7.88 3.69 0.00 1.77 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 1.22 1.22 0.00 157 D 8.09 4.22 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 W 8.23 4.16 0.00 3.53 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 H 8.34 3.63 0.00 2.63 3.05 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.41 4.33 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 W 7.91 3.94 0.00 3.42 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 M 7.60 3.52 0.00 1.59 1.52 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.23 0.00 163 N 7.91 4.17 0.00 2.65 2.91 0.00 0.00 6.88 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 7.68 4.07 0.00 2.58 2.62 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Q 7.08 3.54 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 1.20 1.16 0.00 166 F 7.94 4.93 0.00 2.98 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 G 8.15 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.00 4.29 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 169 S 7.96 4.44 0.00 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.61 4.81 0.00 1.69 1.79 0.78 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 171 E 7.24 4.19 0.00 2.39 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 172 L 8.60 4.44 0.00 1.75 1.68 1.31 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 173 D 8.90 4.53 0.00 2.44 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 7.46 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 8.90 5.20 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.71 0.00 0.00 176 I 9.13 4.50 1.99 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.00 0.81 0.00 0.00 177 Y 8.79 5.06 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.54 4.30 0.00 1.41 1.33 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 8.08 4.07 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 180 A 8.30 5.13 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 T 8.71 3.89 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 182 P 0.00 4.24 0.00 2.15 2.17 0.00 3.46 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 183 E 8.06 3.97 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 184 T 7.97 3.97 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 185 C 8.09 4.18 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.21 3.98 0.00 1.89 1.80 1.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 187 H 8.27 4.44 0.00 3.48 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 8.39 4.02 0.00 1.96 2.01 0.00 3.25 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 189 I 8.01 3.61 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.96 0.39 0.00 0.00 190 Y 7.43 4.30 0.00 3.09 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 8.07 4.11 0.00 1.85 1.67 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 192 R 8.10 4.06 0.00 1.81 2.05 0.00 3.36 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 193 G 7.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 R 7.85 3.96 0.00 1.83 2.08 0.00 3.37 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 195 N 8.80 4.33 0.00 2.75 2.81 0.00 0.00 7.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 E 8.16 3.95 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 197 E 7.67 3.76 0.00 1.77 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.06 0.00 198 Q 7.36 3.84 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 199 G 7.80 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 7.22 3.69 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.13 1.06 0.00 0.00 201 P 0.00 4.46 0.00 2.38 2.23 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 202 L 8.65 4.05 0.00 1.82 1.74 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.30 4.16 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 204 Y 7.93 4.19 0.00 3.08 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 8.08 4.02 0.00 1.97 1.75 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 206 E 8.44 4.01 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 207 K 8.08 3.94 0.00 1.92 1.78 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.58 7.81 208 L 7.74 3.79 0.00 1.80 1.53 0.76 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 209 H 8.58 4.17 0.00 3.34 3.66 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 8.26 4.09 0.00 3.21 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 K 8.24 3.88 0.00 1.95 1.81 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.70 7.81 212 H 8.36 4.08 0.00 3.45 3.17 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.47 3.93 0.00 1.88 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 214 S 8.08 4.04 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 W 7.97 4.16 0.00 3.11 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 L 8.13 3.77 0.00 0.65 0.96 -0.18 -1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.14 4.40 0.00 1.63 1.64 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 218 H 8.42 4.40 0.00 3.08 3.29 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 R 7.23 4.04 0.00 1.92 1.98 0.00 3.33 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 220 T 7.87 4.55 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 *231 V 7.60 3.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.90 0.00 0.00 232 P 0.00 4.47 0.00 2.21 2.07 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 233 I 8.42 4.85 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.67 0.73 0.00 0.00 234 L 7.80 4.10 0.00 0.27 0.23 0.75 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 235 T 8.28 4.85 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 236 L 8.33 4.50 0.00 1.14 1.23 0.70 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 237 D 8.52 4.59 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 V 7.99 4.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.85 0.00 0.00 239 N 8.63 4.43 0.00 2.87 2.90 0.00 0.00 6.84 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 E 7.97 4.45 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 241 D 8.51 4.33 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 F 8.18 5.04 0.00 3.44 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 K 7.94 3.94 0.00 1.70 1.90 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 1.12 7.81 244 D 7.74 4.85 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 K 7.92 4.26 0.00 1.74 1.82 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.56 7.81 246 Y 7.00 4.96 0.00 3.35 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 E 7.98 4.10 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 248 S 8.06 4.16 0.00 4.09 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 L 7.98 4.00 0.00 2.04 1.90 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 250 V 7.88 3.72 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.13 0.00 0.00 251 E 8.15 4.05 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 252 K 8.24 4.12 0.00 2.11 1.91 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.50 7.81 253 V 8.50 3.72 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.14 0.00 0.00 254 K 8.54 4.11 0.00 2.12 2.02 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.78 1.93 7.81 255 E 8.68 4.18 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 256 F 8.58 4.40 0.00 3.11 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 L 8.22 3.73 0.00 1.88 1.61 0.59 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 258 S 7.48 4.33 0.00 4.16 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 T 7.43 4.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 260 L 6.98 4.01 0.00 1.53 1.43 0.51 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.