NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.4142 0.0000 0.0000 62.2744 33.2982 176.4846 7 I 4.4298 7.5072 117.8205 58.7241 40.8888 172.3293 8 L 5.0203 9.4601 129.2930 53.0640 45.5723 174.7146 9 K 5.0783 8.4348 120.2484 55.1507 35.8329 176.3091 10 V 4.1156 8.6999 126.0633 62.4710 32.9657 174.3334 11 D 4.1690 9.1913 129.1621 55.7550 37.7277 175.1597 12 D 4.3493 8.0687 117.8038 54.0187 39.1411 173.4666 13 Y 4.7910 7.3016 117.9432 55.8785 39.7341 175.5202 14 W 4.8999 8.7553 124.8602 56.7533 30.9752 175.8504 15 V 4.7490 9.5099 122.6822 61.4874 34.2007 174.5332 16 V 4.5666 8.9846 129.7324 61.4815 32.7435 174.2278 17 A 5.0264 8.6421 130.5467 50.8156 20.1487 175.8291 18 I 4.4402 8.6410 124.4834 59.8343 38.8053 175.7008 19 E 4.6029 8.7075 125.8467 55.0700 32.3243 175.5638 20 E 4.8507 8.3306 117.9618 56.8638 29.1918 176.7034 21 T 4.4281 7.4960 109.8438 61.6241 68.6229 174.2235 22 L 4.1585 7.4210 123.6517 59.1128 42.1721 178.3591 23 H 4.2125 7.9350 111.0429 56.9204 28.1756 175.5636 24 D 4.5577 8.1602 120.1551 55.2072 41.1870 176.1961 25 Q 4.6720 7.6343 118.8519 53.2108 32.4412 175.1408 26 S 4.6307 8.8577 118.0395 57.7012 65.3114 175.3669 27 V 3.5862 8.6655 122.4110 66.6789 31.1643 178.1788 28 I 3.7411 7.8520 117.4350 64.2840 37.8331 177.6827 29 Q 4.0167 8.0431 119.1617 58.7434 28.4555 178.4357 30 F 4.0517 8.5739 122.2252 61.0501 39.3456 177.4869 31 K 3.9766 8.6163 118.6614 59.4272 31.7976 179.2437 32 E 3.8777 8.3053 118.9262 59.2563 29.5067 178.9133 33 E 3.7480 8.0204 119.2596 59.1592 29.7607 178.5365 34 L 3.6310 7.5449 120.1907 58.1249 42.0954 178.8372 35 L 3.8430 7.9079 118.9726 58.1697 41.3222 179.1222 36 H 4.1109 8.1597 117.1696 59.0398 29.7971 176.7250 37 N 4.3252 7.6081 117.5722 54.7389 38.5148 176.2915 38 I 2.8793 6.9845 111.4400 60.2483 38.7881 176.6436 39 T 4.4502 7.3927 110.5379 61.8814 69.1838 175.7877 40 G 3.5764 7.7582 111.3127 47.9336 0.0000 173.9031 41 V 4.2008 7.6555 118.8545 60.0687 32.6781 174.2123 42 A 4.0914 8.7957 129.7382 52.7251 18.5238 177.6600 43 G 3.7719 8.7942 111.9426 44.2645 0.0000 173.5600 44 K 3.9902 8.3720 118.1202 57.0194 32.4381 176.9881 45 G 4.2895 6.8790 105.0462 46.1116 0.0000 171.5505 46 L 5.5523 8.8167 121.4463 53.2957 45.5663 175.0717 47 V 4.8771 9.0709 126.4443 61.4111 33.7916 174.1896 48 I 4.8348 8.7818 129.2301 59.9398 39.0594 173.9216 49 D 5.4295 9.2249 128.4416 51.8725 43.6853 176.7138 50 I 4.8290 8.8954 121.1109 60.5471 38.1336 178.0029 51 S 4.4558 8.9039 117.7923 61.5445 63.2229 175.2876 52 A 4.1075 7.9136 123.0112 54.2728 18.5346 177.5645 53 L 4.2401 7.0537 115.6383 55.5240 42.7099 175.7454 54 E 4.7386 8.4804 119.7298 56.4371 34.3709 175.6428 55 V 4.5627 7.5738 115.6796 59.6952 34.4973 174.8547 56 V 4.4146 8.2050 114.2923 59.9196 34.0302 175.2692 57 D 4.8752 8.1941 122.3619 52.9368 43.1823 177.5260 58 S 4.2084 8.4139 113.9843 61.2555 63.0328 176.1153 59 F 4.0457 8.1469 124.0403 61.2642 39.1882 176.9360 60 V 3.3224 7.8932 117.2462 66.3619 31.2447 177.9332 61 T 3.7919 7.5948 115.4873 66.5317 68.2597 176.6420 62 R 3.7721 8.1342 121.0677 59.2885 30.0718 178.7823 63 V 3.3142 7.3587 118.0015 65.9414 31.4650 178.0805 64 L 4.0576 7.9548 118.8588 57.5628 41.3673 179.5150 65 I 3.6319 7.9045 120.0197 64.5199 37.1311 178.2855 66 E 3.9164 8.0631 119.1969 59.4182 29.2923 179.5359 67 I 3.7009 8.1802 120.4239 64.4066 37.1591 178.6868 68 S 3.2365 7.8513 115.0847 61.0743 62.7180 176.3882 69 R 3.7712 7.8056 122.3272 59.0109 29.6483 178.4333 70 L 3.8706 7.9132 118.4620 57.7595 41.6328 179.2081 71 A 3.9372 7.6957 120.5877 55.3568 18.1071 178.9859 72 E 3.8897 8.0646 117.7075 59.3986 29.5817 178.8479 73 L 3.3863 8.4114 119.4125 57.1672 41.9170 178.4331 74 L 4.4918 7.3543 118.1470 53.9765 42.4952 176.4603 75 G 3.8878 8.8370 106.9657 46.8835 0.0000 172.8577 76 L 4.8171 7.8302 119.4416 51.7150 43.4824 175.0775 77 P 4.6833 0.0000 0.0000 63.0182 32.3939 175.3193 78 F 5.7650 8.6857 117.6947 55.3022 41.4707 174.1236 79 V 4.4046 8.7717 118.8775 59.9654 35.0133 173.6699 80 L 5.1989 8.8500 125.7218 53.9927 44.2263 175.2021 81 T 5.3285 8.1857 121.8166 61.0270 72.9599 173.8498 82 G 3.7739 8.6148 110.5300 47.7067 0.0000 173.4812 83 I 4.4159 7.5653 119.5635 58.9877 38.6847 176.7591 84 K 4.1412 8.4299 126.7651 55.6165 33.4469 175.6660 85 P 4.2204 0.0000 0.0000 65.6853 31.3880 178.8822 86 A 4.0252 7.9290 119.1825 55.0292 18.4142 179.5753 87 V 3.6162 7.8181 116.1097 65.9755 31.6140 177.6799 88 A 3.9785 8.2642 120.7911 55.4518 18.2689 179.4112 89 I 3.6358 7.4121 115.7487 64.4267 37.7779 178.1358 90 T 4.0124 7.3002 114.2155 66.6970 68.5575 175.9720 91 L 4.1190 7.9053 120.7407 58.4150 41.4909 179.7498 92 T 4.7790 8.0327 112.9312 64.0123 67.6276 175.4655 93 E 4.3398 8.1642 120.2566 56.3182 30.0543 177.7859 *95 G 3.7354 7.9288 106.7056 45.7958 0.0000 173.0674 96 L 4.0993 8.1679 123.7025 54.5937 41.7944 175.5901 97 D 4.9674 8.3947 127.9324 52.7271 39.6163 176.2892 98 L 4.0424 8.0457 123.3244 57.0524 42.3219 178.7226 99 R 4.0251 7.6779 116.4146 58.9346 30.2170 177.4773 100 G 3.9199 7.4834 105.9879 45.0757 0.0000 173.4193 *102 A 4.1627 7.7729 120.2447 51.5248 20.3569 176.8865 103 T 5.1440 8.4547 111.1800 59.8859 72.0023 173.0675 104 A 4.6625 8.9328 124.4440 50.0816 22.7778 176.5367 105 L 4.0369 8.6685 121.7936 58.1471 43.1935 176.4794 106 N 4.7425 7.7702 113.2405 50.5644 40.1353 174.5136 107 L 3.8877 8.6824 118.8534 58.5017 41.8489 178.1420 108 Q 3.9222 8.1556 118.6745 59.5814 28.8474 178.7115 109 K 4.1318 8.6164 119.2889 59.0583 32.0062 179.6047 110 G 3.5895 8.3453 106.5046 47.9274 0.0000 175.7400 111 L 3.6526 8.1104 122.4541 57.1257 41.5990 179.2296 112 D 4.2743 8.3579 119.2805 57.2546 40.7955 178.7993 113 K 3.8451 8.1768 120.1216 59.5478 32.0662 178.8096 114 L 3.9409 7.6991 119.0268 57.7792 41.3276 179.5033 115 K 4.0078 7.6997 117.1878 59.7066 32.2412 178.8451 116 N 4.4954 8.2457 116.5203 56.2435 38.3424 177.2573 117 L 4.0537 7.7180 119.1054 57.7777 41.7857 178.6182 118 A 4.4710 7.4199 117.6469 52.2455 18.8003 177.4621 119 R 4.1732 8.2125 123.2984 56.5065 30.9274 175.3594 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 6 P 0.00 4.41 0.00 2.16 2.23 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 7 I 7.51 4.43 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.85 0.93 0.00 0.00 8 L 9.46 5.02 0.00 1.69 1.61 0.97 0.54 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 9 K 8.43 5.08 0.00 1.75 1.53 0.00 0.76 0.00 0.00 1.19 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 0.83 7.81 10 V 8.70 4.12 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 0.93 0.00 0.00 0.96 0.00 0.00 11 D 9.19 4.17 0.00 3.00 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 12 D 8.07 4.35 0.00 2.54 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 13 Y 7.30 4.79 0.00 3.15 2.89 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 0.00 0.00 0.00 14 W 8.76 4.90 0.00 3.39 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.51 4.75 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 1.10 0.00 0.00 1.09 0.00 0.00 16 V 8.98 4.57 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 1.14 0.00 0.00 0.98 0.00 0.00 17 A 8.64 5.03 1.28 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 0.00 0.00 18 I 8.64 4.44 1.88 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 1.27 0.77 0.85 0.00 0.00 19 E 8.71 4.60 0.00 1.99 1.88 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 2.35 2.27 0.00 20 E 8.33 4.85 0.00 1.91 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 0.00 2.04 2.23 0.00 21 T 7.50 4.43 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 1.24 0.00 0.00 22 L 7.42 4.16 0.00 1.93 1.64 1.19 0.62 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 23 H 7.94 4.21 0.00 3.06 2.98 0.00 5.76 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.16 4.56 0.00 2.79 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 25 Q 7.63 4.67 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 26 S 8.86 4.63 0.00 4.20 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 27 V 8.67 3.59 2.12 0.00 0.00 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 0.79 0.00 0.00 28 I 7.85 3.74 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.20 0.95 0.00 0.00 29 Q 8.04 4.02 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 30 F 8.57 4.05 0.00 3.27 3.18 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 31 K 8.62 3.98 0.00 1.96 1.83 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.72 7.81 32 E 8.31 3.88 0.00 1.98 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 2.31 2.42 0.00 33 E 8.02 3.75 0.00 1.92 1.94 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 1.93 2.12 0.00 34 L 7.54 3.63 0.00 1.31 1.59 0.73 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.91 3.84 0.00 1.87 1.63 0.87 1.05 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 36 H 8.16 4.11 0.00 3.07 3.34 0.00 5.75 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.61 4.33 0.00 2.58 2.43 0.00 0.00 6.85 7.03 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 38 I 6.98 2.88 1.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.41 -0.06 0.00 0.00 39 T 7.39 4.45 4.20 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 1.16 0.00 0.00 40 G 7.76 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.66 4.20 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 0.87 0.00 0.00 1.01 0.00 0.00 42 A 8.80 4.09 1.31 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 0.00 0.00 43 G 8.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.37 3.99 0.00 0.92 1.37 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.10 7.81 45 G 6.88 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 0.00 0.00 0.00 0.00 46 L 8.82 5.55 0.00 1.92 1.68 1.07 0.93 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 47 V 9.07 4.88 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 1.02 0.00 0.00 0.95 0.00 0.00 48 I 8.78 4.83 2.01 0.00 0.00 1.01 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 0.79 0.99 0.00 0.00 49 D 9.22 5.43 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.90 4.83 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.98 0.92 0.00 0.00 51 S 8.90 4.46 0.00 4.01 4.05 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 52 A 7.91 4.11 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 53 L 7.05 4.24 0.00 1.75 1.66 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.48 4.74 0.00 1.89 1.88 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 2.19 2.36 0.00 55 V 7.57 4.56 2.09 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 0.85 0.00 0.00 0.94 0.00 0.00 56 V 8.21 4.41 2.09 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 0.77 0.00 0.00 0.94 0.00 0.00 57 D 8.19 4.88 0.00 2.87 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 58 S 8.41 4.21 0.00 4.06 4.13 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 59 F 8.15 4.05 0.00 3.10 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 60 V 7.89 3.32 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 1.03 0.00 0.00 1.10 0.00 0.00 61 T 7.59 3.79 4.37 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 1.19 0.00 0.00 62 R 8.13 3.77 0.00 1.95 1.87 0.00 3.09 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 63 V 7.36 3.31 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 0.29 0.00 0.00 0.11 0.00 0.00 64 L 7.95 4.06 0.00 1.68 1.70 0.90 0.90 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 65 I 7.90 3.63 1.98 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 1.51 0.83 0.89 0.00 0.00 66 E 8.06 3.92 0.00 2.09 1.97 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 2.49 2.46 0.00 67 I 8.18 3.70 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.98 0.91 0.00 0.00 68 S 7.85 3.24 0.00 3.64 3.94 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 69 R 7.81 3.77 0.00 1.91 2.06 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 70 L 7.91 3.87 0.00 1.86 1.63 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.70 3.94 1.05 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 0.00 0.00 72 E 8.06 3.89 0.00 2.15 2.07 0.00 0.00 0.00 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 2.41 0.00 73 L 8.41 3.39 0.00 1.75 1.74 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.35 4.49 0.00 1.74 1.81 0.92 1.08 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 75 G 8.84 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.83 4.82 0.00 1.80 1.73 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.68 0.00 2.21 2.06 0.00 3.76 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.17 0.00 78 F 8.69 5.77 0.00 3.16 2.99 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 79 V 8.77 4.40 1.99 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 0.70 0.00 0.00 0.86 0.00 0.00 80 L 8.85 5.20 0.00 1.88 1.57 1.02 0.64 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 81 T 8.19 5.33 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 82 G 8.61 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.57 4.42 1.87 0.00 0.00 0.87 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 0.67 0.92 0.00 0.00 84 K 8.43 4.14 0.00 1.82 1.67 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.51 1.53 7.81 85 P 0.00 4.22 0.00 2.19 2.09 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 86 A 7.93 4.03 1.31 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 0.00 0.00 87 V 7.82 3.62 2.23 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 1.05 0.00 0.00 0.94 0.00 0.00 88 A 8.26 3.98 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 89 I 7.41 3.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 1.03 0.00 0.00 90 T 7.30 4.01 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 1.21 0.00 0.00 91 L 7.91 4.12 0.00 1.90 1.73 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.03 4.78 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 1.28 0.00 0.00 93 E 8.16 4.34 0.00 2.18 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 2.56 2.32 0.00 *95 G 7.93 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.17 4.10 0.00 1.74 1.59 0.94 1.22 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 97 D 8.39 4.97 0.00 2.73 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 98 L 8.05 4.04 0.00 1.68 1.73 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.68 4.03 0.00 1.95 2.03 0.00 3.15 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 100 G 7.48 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *102 A 7.77 4.16 1.15 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 0.00 0.00 0.00 103 T 8.45 5.14 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 1.19 0.00 0.00 104 A 8.93 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.67 4.04 0.00 1.77 1.68 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.77 4.74 0.00 2.94 2.88 0.00 0.00 5.83 6.67 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 0.00 107 L 8.68 3.89 0.00 1.79 1.72 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.16 3.92 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 109 K 8.62 4.13 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.62 7.81 110 G 8.35 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 0.00 0.00 0.00 111 L 8.11 3.65 0.00 1.71 1.51 0.89 0.80 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 0.00 112 D 8.36 4.27 0.00 2.75 2.68 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 0.00 0.00 0.00 113 K 8.18 3.85 0.00 1.85 1.86 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 114 L 7.70 3.94 0.00 1.26 1.70 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.70 4.01 0.00 1.91 1.88 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.41 7.81 116 N 8.25 4.50 0.00 2.93 2.84 0.00 0.00 7.00 6.02 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 0.00 117 L 7.72 4.05 0.00 1.83 1.78 0.90 0.83 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 0.00 118 A 7.42 4.47 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.21 4.17 0.00 1.72 1.79 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.