NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1010 7.8833 121.3831 61.1590 39.3957 173.7932 3 I 4.3194 8.1570 127.4909 59.5090 39.4208 172.7615 4 H 5.3603 9.3300 126.1389 54.3226 31.3391 173.0646 5 I 4.9674 8.9888 125.8953 59.8443 39.2243 175.1490 6 V 4.8798 9.3778 127.9039 61.5496 33.5324 175.1932 7 G 4.2055 9.0771 117.6081 44.8303 0.0000 173.0526 8 G 4.2711 8.4212 106.6207 45.9002 0.0000 174.4963 9 G 3.9988 8.0273 110.0470 43.7866 0.0000 172.2227 10 P 4.2480 0.0000 0.0000 63.3421 31.9415 178.1298 11 R 4.1498 8.6280 121.0562 58.4953 30.4779 178.3607 12 E 4.1828 8.1270 114.4363 58.2061 30.0270 177.6391 13 L 4.2782 7.6529 118.7389 56.1264 42.2088 176.9590 14 L 4.4582 7.5395 119.2086 53.6534 41.9907 175.2071 15 P 4.5634 0.0000 0.0000 62.0496 32.3879 175.3194 16 D 4.5033 8.7182 117.8911 54.0775 40.9690 176.7146 17 L 4.3597 8.5243 127.7740 57.4863 41.1838 179.3617 18 R 4.0879 8.2651 118.4838 58.9733 29.6927 178.0347 19 F 4.6665 8.0295 115.1478 58.3431 39.2280 175.6720 20 Y 4.6616 8.2177 115.8051 57.6514 38.2791 174.9548 21 D 5.0556 7.7178 119.3902 53.0360 42.9120 175.5286 22 G 4.0326 7.7238 111.4607 45.1174 0.0000 174.1815 23 E 4.0325 8.8761 117.5802 58.2762 29.7608 177.3660 24 D 4.5610 7.9285 117.3889 53.2472 40.0560 176.3243 25 V 4.4243 7.0186 119.8420 60.7609 33.7597 174.3426 *27 W 4.9752 8.1230 117.8275 56.8050 30.7881 174.8364 28 V 4.9638 9.2866 123.4653 61.2001 34.5040 174.4550 29 G 4.7875 8.9917 114.6458 44.4034 0.0000 172.6881 30 V 5.0100 8.5437 122.5561 61.2432 34.5848 174.5275 31 D 4.0706 9.2685 128.6011 55.7957 39.8452 176.1775 32 R 4.2878 8.7548 122.4735 58.0154 29.9241 177.7801 33 G 3.8959 8.3307 109.2190 49.1931 0.0000 176.6128 34 T 4.3196 7.6862 116.7169 63.9215 68.0177 176.5733 *36 T 4.2116 8.1231 119.4967 63.7428 70.7749 176.4690 37 L 3.6568 7.6928 120.7386 57.6939 42.1011 179.2655 38 L 4.1435 8.1315 120.3111 58.2039 42.1749 178.9539 39 E 3.8350 8.0531 116.4088 59.1241 29.4583 177.6468 40 A 3.6651 7.2373 118.9591 52.2066 18.5923 178.0809 41 G 3.8786 7.7642 103.7521 45.6886 0.0000 173.5242 42 F 4.9215 7.5268 117.6566 55.9100 40.1295 175.4027 43 R 3.8627 8.3999 124.6241 53.7726 30.5783 174.3375 44 P 4.6542 0.0000 0.0000 62.7690 31.8579 177.8698 45 V 3.6314 8.8436 116.3547 63.4425 32.1171 176.2218 46 R 4.5893 7.1689 117.7688 55.2923 33.8690 173.2983 47 A 5.3716 8.3936 125.5871 50.2507 23.1938 174.9241 48 F 5.0942 9.7220 117.7544 55.5626 43.1236 174.6217 49 G 4.4784 8.3004 109.2092 43.4592 0.0000 172.3604 50 D 4.6722 8.0760 119.2295 52.5179 42.7446 178.0580 51 F 4.5032 8.2565 119.1149 59.5643 39.2796 177.4820 52 D 4.5242 8.1204 119.8511 56.9078 40.6968 177.1570 53 S 4.5116 7.7550 113.3621 58.7818 63.1801 173.8280 54 L 4.8991 7.4155 120.3053 51.7999 44.5806 174.7726 55 P 4.4079 0.0000 0.0000 62.3227 32.3405 177.4051 56 A 4.0089 8.7642 122.8520 55.7427 18.3311 180.2184 57 E 3.9706 8.1452 116.2520 59.4906 29.4382 179.1668 58 D 4.4041 8.0859 119.2881 57.0263 40.8054 178.8860 59 V 3.5891 7.7204 118.4579 65.9046 31.6231 177.9386 60 V 3.5071 7.6575 117.9003 66.1093 31.3429 178.2084 61 K 3.9322 7.8983 117.6219 59.1066 31.8478 179.1615 62 L 3.9585 8.2606 121.2552 58.3242 41.6439 179.1669 63 Q 4.2064 8.3070 117.7289 58.8604 28.2938 178.0334 64 Q 3.8541 7.7347 120.8167 59.0274 29.1972 177.8974 65 A 3.8965 7.5774 120.0380 53.7776 19.8665 178.0077 66 F 4.9825 8.0486 117.0228 54.6218 39.2972 173.8639 67 P 4.4091 0.0000 0.0000 64.2353 31.7013 177.1222 68 D 4.7896 7.9589 115.3413 52.6176 39.6183 176.0432 69 L 3.8183 7.6940 121.7698 56.0716 42.5576 176.4033 70 D 4.4922 8.5168 125.3843 53.5159 41.6159 174.4195 71 V 4.6304 7.9613 125.7261 60.7888 33.7158 174.5767 72 W 4.5916 8.7082 127.8138 53.9676 31.1775 174.0018 73 P 4.8676 0.0000 0.0000 62.2164 31.8229 176.0771 74 A 4.3694 8.4712 122.7677 52.5471 18.6351 176.9729 75 E 4.7447 8.5997 119.2118 53.8920 32.4300 176.0865 76 K 4.0430 8.4495 121.6075 58.1424 32.5544 176.9097 77 D 4.6771 9.1628 121.1294 54.5939 38.1848 173.8394 78 K 4.8655 7.8267 116.0889 53.7587 36.2489 176.4853 79 T 4.3315 8.3579 112.2421 61.0851 70.0429 175.7358 80 D 4.3688 8.3155 120.0814 54.5628 40.3723 178.6609 *82 E 4.2325 8.4447 120.8815 56.2206 31.5528 177.6101 83 I 3.7299 7.5970 112.4700 63.7992 37.3331 177.9243 84 A 2.5800 7.4184 122.3819 54.2816 18.0703 179.4257 85 L 3.7639 7.5923 118.2695 58.2888 42.0365 178.3582 86 D 4.2842 8.3662 118.1806 57.2576 40.9593 178.7758 87 W 4.0983 8.0621 128.1216 60.3738 30.8597 177.6581 88 A 3.3361 8.2933 122.1872 55.3733 17.7411 179.7421 89 V 3.5704 7.4442 106.0144 62.9225 31.4011 176.7692 90 E 4.1960 7.6581 119.0197 56.6721 29.7607 176.6400 91 Q 3.9581 7.5695 117.4003 55.0855 29.3915 175.4095 92 T 3.2465 7.4407 106.8554 62.4041 67.2826 171.9999 93 A 4.2326 7.4145 121.9994 52.3971 19.8463 178.1779 94 R 3.9429 8.2430 119.5012 57.8687 30.6604 176.3644 *96 I 4.1948 7.4884 117.7770 62.0249 38.9129 174.4743 97 R 4.8834 8.8348 125.5508 54.2108 33.3648 174.6289 98 L 4.9876 8.6421 123.8618 53.2446 43.6654 175.8362 99 F 5.0552 8.9508 122.8538 54.9102 42.6305 175.9531 100 G 4.0965 8.7909 105.9064 46.9495 0.0000 174.6500 101 A 4.5392 8.1817 119.3489 51.4481 19.5645 176.9683 102 T 4.5209 7.6366 105.8814 60.5651 71.8084 174.5238 103 G 4.0584 8.4965 106.2734 46.6261 0.0000 176.4242 104 G 3.8953 8.0588 108.5777 46.3443 0.0000 176.9967 105 R 4.0728 8.4990 126.1565 55.5335 30.3175 177.3408 106 L 4.2036 8.6528 123.7727 57.5683 41.6294 179.0615 107 D 4.5452 8.1730 118.8332 56.4794 39.1145 178.3820 108 H 4.2719 8.0496 117.4995 58.7934 28.7069 177.3058 109 L 3.9967 7.9360 121.5823 58.3664 41.9394 178.9251 110 F 4.0995 8.5151 117.8233 60.1886 38.9343 178.0124 111 G 3.6800 8.5028 105.7048 47.9617 0.0000 175.4571 112 N 4.3618 8.4402 119.3438 56.0515 38.5268 177.6803 113 V 3.5669 8.0217 119.7782 65.9972 31.5459 177.9312 114 E 4.0012 8.3433 118.3765 59.2209 29.2384 179.3730 115 L 3.9833 7.7858 118.8544 57.7997 41.4678 179.3453 116 L 4.0553 7.8229 118.6640 57.9060 41.3206 179.7033 117 L 4.0447 7.8149 117.7553 57.6427 41.6504 178.9686 118 K 3.8785 8.1472 118.8210 58.8331 32.4502 177.6350 119 Y 4.8204 7.8945 116.5146 57.2532 38.9779 177.7668 120 A 4.1774 8.4765 124.2772 54.4697 18.7350 179.0395 121 D 4.6546 8.1251 112.7303 54.2364 40.1285 176.3172 122 R 4.5648 7.8544 119.6849 54.0730 31.9137 175.1752 123 P 4.5521 0.0000 0.0000 62.0773 29.9037 174.9870 124 I 4.8484 7.8626 122.1763 59.1911 40.6768 174.5136 125 E 4.8178 9.2247 125.7352 54.5606 33.0060 174.9452 126 I 4.5178 8.4444 124.7629 60.1334 38.7810 174.9780 127 V 4.8761 8.4256 126.7022 61.1751 34.7782 174.3020 128 D 5.0514 8.7920 126.0975 51.3791 42.4828 175.9849 129 R 4.1257 8.8620 115.4777 59.0259 29.3318 176.9513 130 Q 4.8015 8.9197 115.2674 55.4430 31.5165 174.4654 131 N 5.6733 8.5520 116.6221 51.7413 44.0024 173.7677 132 V 4.7911 8.4477 120.7505 59.8353 34.5959 173.9931 133 L 5.0745 9.0453 127.6209 53.2631 44.6806 175.1081 134 T 4.9419 8.2774 114.3986 60.2629 72.0041 173.1884 135 V 4.7390 8.1339 114.8657 60.1059 35.4440 174.7539 136 H 5.0163 9.0860 119.0022 54.3841 33.3152 173.2112 137 L 5.0764 8.6899 121.5544 52.5780 43.6902 174.5894 138 P 3.1132 0.0000 0.0000 62.0051 32.0236 177.3978 139 G 3.5264 6.0007 107.2042 45.5089 0.0000 170.6275 140 T 4.6825 7.1007 115.4833 61.7580 71.0605 173.7632 141 Y 4.7043 8.3701 122.7426 56.2351 42.1666 174.9812 142 T 4.9384 8.5297 112.2029 61.1980 71.0943 173.3688 143 V 4.5954 8.6740 121.9556 61.5616 36.1082 173.1846 *145 Y 4.5456 8.2600 121.5806 57.3411 39.5761 173.6799 146 D 4.1938 7.2547 124.7238 52.2190 43.9174 175.5047 147 A 3.7894 8.3209 130.0119 55.2264 18.4508 178.4945 148 R 3.6928 8.0666 113.8034 57.9372 30.1729 176.4041 149 Y 4.8671 7.3646 115.3971 56.5807 41.2552 174.1686 150 C 4.4576 8.5667 121.6624 57.7713 42.2346 173.5454 151 Y 5.1515 7.7550 115.9406 56.1411 40.5932 175.2759 152 V 4.7863 8.7214 121.9328 61.2954 34.9125 174.4425 153 S 5.1414 8.9152 123.1864 56.8831 66.4412 172.9211 154 Y 4.5795 8.7870 121.4301 56.1405 40.1703 175.4453 155 I 4.4249 8.0839 124.1197 58.3856 40.3790 173.4610 156 P 4.1735 0.0000 0.0000 62.8421 31.9344 176.0323 157 V 4.0584 8.6323 123.4211 65.0408 32.2962 176.5785 158 S 4.3927 7.8545 113.0452 57.6584 63.7582 173.8707 159 E 4.2219 8.9288 121.5303 59.1872 30.5015 176.4555 160 T 5.1083 7.7518 107.2706 59.8516 73.2112 173.2576 161 V 4.4978 8.8377 122.1790 61.3501 34.4931 174.3305 162 A 4.9187 8.9158 129.7496 50.6650 21.4567 176.1576 163 E 3.9925 8.7763 116.2410 57.2004 27.3858 175.0771 164 F 4.8395 8.2735 119.7218 58.8700 40.5650 174.7348 165 T 4.6666 8.4684 122.1863 61.7854 72.5727 172.7997 166 L 5.3273 8.7711 126.2832 53.0070 44.7093 176.0537 167 T 4.6251 9.1338 112.1636 61.1957 71.9774 174.8919 168 G 3.8439 9.3868 111.9421 45.3690 0.0000 172.6998 169 F 5.1274 7.7341 117.0689 55.0584 41.5100 175.7492 170 K 3.8404 8.9220 124.2423 59.3936 31.8821 176.5207 171 Y 4.8699 7.8537 115.6003 55.6070 39.2551 173.6695 172 P 4.8694 0.0000 0.0000 62.2917 33.2716 175.4683 173 L 4.9018 8.2737 120.2242 53.5822 46.1672 175.3984 174 T 4.7163 8.2322 118.8295 62.9153 72.2276 172.1257 175 N 3.7245 9.0899 123.6692 54.0032 37.9746 173.1859 *177 H 4.5967 8.5265 121.1105 56.0487 31.2169 172.1103 178 I 4.4429 8.2295 126.0303 59.5536 40.0382 174.5194 179 S 5.1117 8.3242 122.7263 56.2525 65.5679 173.7240 180 R 3.9540 8.7085 126.1469 57.9835 30.0995 175.1069 181 G 4.3199 9.0947 116.8150 46.0407 0.0000 174.8429 182 S 4.0813 7.8516 112.7533 60.3782 62.6326 173.9259 183 T 4.3920 8.0059 118.9926 61.8513 68.3661 174.5645 184 L 3.9533 8.2819 127.5972 56.9705 42.3440 177.5740 *186 I 3.9545 7.5283 118.8259 61.2658 38.4963 175.0621 187 S 5.1457 8.6073 123.1296 57.8245 64.7603 172.9063 188 N 5.1048 9.1420 120.9662 53.5751 43.2947 172.2423 189 E 5.0894 8.6998 119.7639 54.4578 33.2965 173.7639 190 L 3.5961 8.7228 129.4583 55.3884 42.0525 176.0131 191 I 4.1251 8.4272 127.9107 63.4277 37.2959 176.6998 192 Q 4.2799 7.6431 120.1411 54.6459 29.9508 176.5249 193 S 4.3010 8.4160 112.8550 61.4457 62.4896 173.4648 194 S 4.7569 7.3110 112.4990 58.0162 66.1450 173.8347 195 G 4.2997 8.8098 107.4059 46.0205 0.0000 171.8043 196 T 5.6192 8.9374 109.0284 59.8201 72.5874 173.0341 197 F 5.5786 8.8702 117.2573 55.4109 41.3847 173.9117 198 S 5.4532 9.0152 114.1448 57.5336 66.9189 172.6241 199 F 5.7396 8.4891 114.1134 57.0736 40.2834 174.3577 200 S 4.6565 9.1356 114.4306 59.0358 64.7166 174.0058 201 E 4.6913 8.3633 118.9896 56.0467 34.0091 176.0877 202 G 4.2096 9.6435 107.4285 45.3328 0.0000 171.8911 203 I 4.9562 8.4989 118.7955 59.8818 41.4851 174.7200 204 L 4.5060 8.5758 128.2168 53.2220 46.3296 174.2234 *207 I 4.2142 8.1095 118.0019 61.3719 38.7304 174.9913 208 R 5.0823 8.2822 126.4493 54.5009 32.4656 175.6794 209 S 5.4778 9.1741 117.5674 57.2061 67.3898 172.1693 210 S 5.1120 9.1279 114.0966 57.2577 66.1358 171.7702 211 D 4.8466 8.5452 120.8426 51.7046 42.3401 175.7965 212 S 4.1076 9.0040 113.2082 61.8427 62.1854 175.6922 213 S 4.1479 7.8137 116.2821 60.9247 62.0943 172.2390 214 C 4.5350 8.0731 121.7990 57.0421 41.5252 172.8150 215 L 4.2538 8.4397 120.5973 56.7500 42.7976 175.4466 216 L 4.0575 7.3442 122.2567 54.3435 40.4735 176.5136 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 2 I 7.88 4.10 1.71 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.69 0.00 0.00 3 I 8.16 4.32 1.81 0.00 0.00 0.62 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 0.70 1.00 0.00 0.00 4 H 9.33 5.36 0.00 1.96 2.83 0.00 5.62 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.99 4.97 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 1.01 0.00 0.00 6 V 9.38 4.88 2.27 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 1.19 0.00 0.00 1.29 0.00 0.00 7 G 9.08 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 0.00 0.00 0.00 0.00 8 G 8.42 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 0.00 0.00 0.00 9 G 8.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.25 0.00 2.21 2.13 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 11 R 8.63 4.15 0.00 1.89 1.98 0.00 3.13 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 12 E 8.13 4.18 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 13 L 7.65 4.28 0.00 1.91 1.78 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.54 4.46 0.00 1.71 1.65 0.93 0.91 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 15 P 0.00 4.56 0.00 2.53 2.39 0.00 3.64 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 2.05 2.25 0.00 16 D 8.72 4.50 0.00 2.96 3.02 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 17 L 8.52 4.36 0.00 1.53 1.60 0.60 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.27 4.09 0.00 1.49 1.70 0.00 2.98 0.00 0.00 3.02 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 19 F 8.03 4.67 0.00 3.18 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.22 4.66 0.00 3.28 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.72 5.06 0.00 3.05 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.72 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.88 4.03 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 24 D 7.93 4.56 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.02 4.42 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.79 0.00 0.00 *27 W 8.12 4.98 0.00 3.43 3.24 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 0.00 28 V 9.29 4.96 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 1.33 0.00 0.00 1.27 0.00 0.00 29 G 8.99 4.79 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 0.00 0.00 0.00 30 V 8.54 5.01 2.27 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 0.97 0.00 0.00 1.02 0.00 0.00 31 D 9.27 4.07 0.00 2.90 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 0.00 0.00 0.00 32 R 8.75 4.29 0.00 1.95 2.25 0.00 3.08 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 33 G 8.33 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.69 4.32 4.31 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.02 3.57 2.18 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 1.00 0.00 0.00 0.79 0.00 0.00 114 E 8.34 4.00 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 115 L 7.79 3.98 0.00 2.01 1.81 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.82 4.06 0.00 1.91 1.70 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.81 4.04 0.00 1.78 1.71 0.96 0.77 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 0.00 118 K 8.15 3.88 0.00 1.50 1.68 0.00 1.53 0.00 0.00 1.25 0.00 0.00 2.56 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.38 1.10 7.81 119 Y 7.89 4.82 0.00 3.02 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.48 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.13 4.65 0.00 2.84 2.84 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 0.00 122 R 7.85 4.56 0.00 1.77 1.82 0.00 3.30 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 123 P 0.00 4.55 0.00 2.12 2.05 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 124 I 7.86 4.85 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 1.26 0.56 0.88 0.00 0.00 125 E 9.22 4.82 0.00 1.68 1.68 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 0.00 2.17 2.21 0.00 126 I 8.44 4.52 1.75 0.00 0.00 0.77 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 0.46 0.80 0.00 0.00 127 V 8.43 4.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.60 0.00 0.00 128 D 8.79 5.05 0.00 3.15 2.75 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 0.00 129 R 8.86 4.13 0.00 1.97 2.21 0.00 3.05 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 130 Q 8.92 4.80 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 131 N 8.55 5.67 0.00 2.62 2.58 0.00 0.00 6.43 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.45 4.79 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 0.15 0.00 0.00 0.85 0.00 0.00 133 L 9.05 5.07 0.00 1.53 1.39 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.28 4.94 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 135 V 8.13 4.74 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 0.70 0.00 0.00 0.87 0.00 0.00 136 H 9.09 5.02 0.00 3.39 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.69 5.08 0.00 1.65 1.71 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 3.11 0.00 1.93 1.96 0.00 3.87 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.36 0.00 139 G 6.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.10 4.68 3.97 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 1.05 0.00 0.00 141 Y 8.37 4.70 0.00 1.43 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 0.00 0.00 0.00 0.00 142 T 8.53 4.94 4.30 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 1.22 0.00 0.00 143 V 8.67 4.60 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 nan 0.00 0.00 *145 Y 8.26 4.55 0.00 3.02 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 7.25 4.19 0.00 2.61 2.45 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 0.00 147 A 8.32 3.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.07 3.69 0.00 0.67 1.13 0.00 2.98 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 149 Y 7.36 4.87 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 8.57 4.46 0.00 1.41 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.75 5.15 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.72 4.79 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.10 0.00 0.00 153 S 8.92 5.14 0.00 3.55 3.59 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 0.00 154 Y 8.79 4.58 0.00 2.58 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.08 4.42 1.79 0.00 0.00 0.80 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 0.51 0.90 0.00 0.00 156 P 0.00 4.17 0.00 2.20 1.86 0.00 3.64 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 157 V 8.63 4.06 2.18 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 0.78 0.00 0.00 0.89 0.00 0.00 158 S 7.85 4.39 0.00 3.91 3.86 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 0.00 0.00 0.00 159 E 8.93 4.22 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 160 T 7.75 5.11 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 161 V 8.84 4.50 1.84 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 0.64 0.00 0.00 0.66 0.00 0.00 162 A 8.92 4.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.78 3.99 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 2.37 2.34 0.00 164 F 8.27 4.84 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.47 4.67 4.14 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 0.00 0.00 1.20 0.00 0.00 166 L 8.77 5.33 0.00 1.33 1.48 0.64 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 167 T 9.13 4.63 4.29 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 1.23 0.00 0.00 168 G 9.39 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 0.00 0.00 0.00 169 F 7.73 5.13 0.00 3.05 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 0.00 170 K 8.92 3.84 0.00 1.49 1.54 0.00 1.70 0.00 0.00 1.00 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.38 1.12 7.81 171 Y 7.85 4.87 0.00 3.12 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 0.00 172 P 0.00 4.87 0.00 2.13 2.11 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 173 L 8.27 4.90 0.00 1.46 1.52 1.11 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 174 T 8.23 4.72 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 175 N 9.09 3.72 0.00 2.78 2.82 0.00 0.00 6.97 7.76 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 *177 H 8.53 4.60 0.00 3.17 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 8.23 4.44 1.80 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.42 0.72 0.00 0.00 179 S 8.32 5.11 0.00 3.71 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 R 8.71 3.95 0.00 1.98 1.79 0.00 3.21 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 181 G 9.09 4.32 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 0.00 0.00 0.00 182 S 7.85 4.08 0.00 3.83 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 T 8.01 4.39 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 184 L 8.28 3.95 0.00 1.60 1.69 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *186 I 7.53 3.95 1.93 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 1.04 0.00 0.00 187 S 8.61 5.15 0.00 3.82 3.85 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 0.00 188 N 9.14 5.10 0.00 2.91 2.85 0.00 0.00 6.54 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.70 5.09 0.00 2.14 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 190 L 8.72 3.60 0.00 1.40 1.50 0.30 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 191 I 8.43 4.13 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 0.87 0.00 0.00 192 Q 7.64 4.28 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 193 S 8.42 4.30 0.00 3.78 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 0.00 194 S 7.31 4.76 0.00 4.03 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 G 8.81 4.30 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 0.00 0.00 0.00 196 T 8.94 5.62 4.28 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 1.22 0.00 0.00 197 F 8.87 5.58 0.00 2.81 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 S 9.02 5.45 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 8.49 5.74 0.00 3.42 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.14 4.66 0.00 3.90 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 0.00 201 E 8.36 4.69 0.00 1.99 1.90 0.00 0.00 0.00 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 2.37 0.00 202 G 9.64 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 0.00 0.00 0.00 0.00 203 I 8.50 4.96 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 0.99 0.00 0.00 204 L 8.58 4.51 0.00 0.88 1.01 0.45 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 *207 I 8.11 4.21 1.73 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 1.22 0.25 0.81 0.00 0.00 208 R 8.28 5.08 0.00 1.17 1.54 0.00 3.06 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.36 0.00 209 S 9.17 5.48 0.00 4.04 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 S 9.13 5.11 0.00 3.91 3.79 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 0.00 211 D 8.55 4.85 0.00 2.97 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 0.00 212 S 9.00 4.11 0.00 4.02 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 S 7.81 4.15 0.00 4.11 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 0.00 214 C 8.07 4.53 0.00 2.83 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 0.00 215 L 8.44 4.25 0.00 1.70 1.66 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 216 L 7.34 4.06 0.00 1.72 1.56 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.