NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5869 8.3649 120.1923 53.9259 42.6364 175.5762 5 I 3.7069 7.6660 118.4583 61.6777 38.1796 175.0816 6 G 3.9467 8.7960 111.7601 46.3008 0.0000 175.1097 7 K 3.9454 8.0218 121.9420 59.7313 32.2965 178.3874 8 N 4.2598 8.1350 117.4063 56.6010 38.9587 176.6382 9 A 4.2251 7.9787 121.6185 55.0578 18.5365 179.3168 10 E 3.9106 8.2271 117.2402 59.6444 29.5572 179.7122 11 R 3.9156 8.3437 118.4917 59.1943 30.1307 178.7470 12 E 3.9453 8.2544 119.1611 59.2291 29.6065 178.6867 13 L 3.2627 8.0169 120.5389 57.6019 41.9294 178.9635 14 V 3.4227 8.0274 118.7922 66.0188 31.4307 177.9511 15 S 4.0056 8.0094 112.7611 61.3139 61.7816 176.1535 16 I 3.6047 7.6133 122.4390 64.3855 36.8702 178.4077 17 L 3.9275 8.0520 120.0819 57.9463 41.3122 179.9158 18 R 4.8775 7.7382 119.5959 58.5578 29.7525 179.1142 19 G 3.6806 8.0850 104.3885 46.4931 0.0000 174.5268 20 E 4.3767 7.3564 118.8362 55.7046 29.7722 176.7294 21 G 3.7389 7.6357 106.8980 45.1161 0.0000 173.5565 22 F 4.5123 8.0322 119.2002 56.3445 40.8837 175.0849 23 N 4.9393 9.3982 123.1761 52.9008 38.3926 172.6553 24 A 5.0564 8.1748 125.8871 49.8974 21.7613 176.0334 25 V 4.4301 8.0417 113.8892 59.5263 36.2631 174.9221 26 R 4.7501 8.4858 120.3291 55.2742 31.4299 175.3521 27 I 4.5328 8.2744 122.1210 58.8634 38.7465 174.2888 28 P 4.3406 0.0000 0.0000 63.0711 31.8825 176.1905 29 T 4.2132 7.4847 116.9140 63.0123 69.5149 174.4750 *35 N 4.7864 8.5317 122.7035 53.2270 40.5405 174.0850 36 P 4.4648 0.0000 0.0000 64.2348 32.0346 175.8913 37 L 4.8492 7.4117 116.7761 51.6200 44.8585 174.1426 38 P 4.3930 0.0000 0.0000 62.6613 32.0709 176.6487 39 D 4.5775 8.6646 120.1428 57.2178 41.7981 176.9112 40 I 5.1804 7.5474 117.4244 59.4287 41.8116 174.4089 41 F 5.5203 8.4295 119.2838 55.4586 41.7163 173.4946 42 A 5.0169 8.6986 119.2945 51.2804 22.8908 175.5258 43 T 5.3217 8.7200 110.5369 60.1722 73.0297 173.2743 44 K 4.3699 9.2231 123.9851 55.1452 35.5331 175.7886 45 G 3.6674 8.7920 118.0336 47.3396 0.0000 172.9941 46 N 4.7812 8.7817 123.1737 53.2325 38.9543 172.9718 47 T 5.1446 8.0411 114.2731 61.6449 71.1099 173.2614 48 L 5.2287 8.8804 127.6167 53.3446 45.1219 174.8835 49 L 5.0709 9.5018 127.5528 53.5201 43.9379 175.5829 50 S 4.7936 8.9670 117.9347 56.6675 65.1298 172.5527 51 I 4.9474 8.6238 128.2511 59.4230 40.6345 174.1357 52 E 4.7675 9.1635 128.2867 54.7343 31.3048 173.9053 53 C 5.3919 9.3796 127.8615 57.5794 34.0413 172.9349 54 K 4.5816 9.0684 126.0683 55.1716 35.7139 174.1975 55 S 4.7381 8.3682 121.3028 56.9266 64.4823 172.7280 56 T 4.4712 8.1178 119.3623 61.0323 70.6990 174.0491 57 W 4.4672 8.7498 124.8627 57.3225 29.8508 176.7237 58 E 4.4518 8.2309 118.8921 55.9110 29.6853 176.1804 59 N 4.9470 8.6324 116.3085 52.8728 38.0966 174.7511 60 K 5.1894 7.6955 117.0289 55.6803 36.3453 175.7117 61 V 4.3793 8.9856 121.3453 61.0560 34.6874 174.1001 62 K 4.7005 8.8242 129.7939 55.9427 33.0844 175.6851 63 V 4.3441 8.9805 128.2261 60.9227 33.6025 175.5991 64 K 4.6131 9.1130 127.7948 55.7461 32.9641 177.5894 65 E 4.1054 9.4432 123.4789 59.2688 29.4794 179.1804 66 H 4.2889 8.1493 114.3606 58.3761 28.6673 177.6238 67 Q 3.8936 7.5183 120.6499 58.8115 28.6592 178.4471 68 V 3.5747 7.6695 119.2381 65.9873 31.5958 177.9537 69 R 3.9146 8.2587 118.6963 59.3190 29.8713 178.3496 70 K 4.0312 8.0353 119.1823 59.4672 32.3095 178.7924 71 L 4.3033 7.6090 120.3252 57.4162 41.5797 179.5672 72 L 4.1365 8.0582 118.9554 57.8108 41.3311 179.2794 73 D 4.4967 8.5045 119.9563 56.5716 41.0349 178.2585 74 F 4.3212 8.3492 121.2355 61.4612 39.5478 177.2022 75 L 4.1807 8.1128 118.4462 57.7436 41.5661 179.1837 76 S 4.3768 8.2253 112.8306 60.3091 62.8875 175.8592 77 M 3.9614 7.7131 122.0237 56.1006 31.8944 175.8858 78 F 4.8001 7.1459 116.7395 55.8236 41.9836 174.6660 79 T 4.4948 8.4453 111.0935 62.2321 69.0065 174.5180 80 M 4.5360 7.7830 120.8799 54.4325 34.6483 176.2453 81 K 4.1922 9.0919 120.5366 56.3386 32.6183 176.6474 82 G 4.2467 8.6023 112.9759 45.1332 0.0000 172.0560 83 V 4.5951 8.8868 124.1376 60.0959 33.9490 172.7777 84 P 5.1180 0.0000 0.0000 62.6695 33.0877 175.2288 85 L 5.0343 9.0353 122.0866 53.2517 46.2603 175.1774 86 I 4.7411 8.9517 124.8636 59.7994 39.1773 174.4235 87 A 5.1370 9.3897 129.9571 50.2105 21.4259 174.8691 88 I 4.6484 9.0358 123.9494 59.4083 40.5809 175.0498 89 K 3.6268 8.0112 129.2691 54.8313 32.7877 175.6920 90 F 4.3938 8.6533 128.5735 56.3473 38.2211 176.9270 91 K 3.6045 8.5859 125.1932 58.7410 32.0876 179.8854 92 Q 4.2740 8.1909 117.1515 58.5384 28.6301 177.7630 93 V 4.2008 7.6534 107.1250 60.3729 32.6849 174.6022 94 H 3.8780 7.7959 118.2344 56.9892 28.5498 174.1391 95 E 4.6855 7.8565 118.0469 54.0860 33.6418 174.4403 96 W 4.7507 8.8768 126.8265 56.6595 30.4402 175.4749 97 R 5.3191 9.4827 123.6483 54.5470 34.1004 174.8847 98 V 5.0699 9.2352 113.4775 59.6616 36.4576 174.4322 99 L 4.9098 8.8440 124.2424 53.3749 45.4493 175.3978 100 V 4.7717 8.6698 126.4208 59.8889 31.9439 173.7535 101 P 4.4427 0.0000 0.0000 62.9898 32.0219 176.1080 102 E 4.3397 8.7833 120.3088 57.8045 30.3544 176.4844 103 K 4.5304 7.5188 114.1178 54.4497 35.7317 175.7917 104 A 4.0803 8.4721 122.7873 52.8332 17.1287 176.4834 105 E 4.6707 8.0723 118.3837 55.8284 32.3660 174.1943 106 D 4.9434 8.5484 119.5910 54.6186 41.4900 176.2716 107 I 4.5721 8.9184 124.0174 59.5226 41.0240 174.5786 108 I 4.7012 8.4098 127.5371 59.7883 38.2278 175.2674 109 V 4.3187 8.9937 129.5240 62.4867 31.8991 175.1532 110 T 5.0827 9.2988 117.5944 59.5492 72.2558 175.0388 111 I 3.3588 7.6549 121.0961 64.2427 37.1909 178.5768 112 D 4.3044 7.3549 116.6955 56.2642 40.7756 176.8208 113 N 4.8337 7.8669 114.3371 52.1972 37.4910 174.0015 114 S 5.1159 7.4317 112.6749 56.8202 66.1912 173.0435 115 I 4.6518 8.4835 113.4967 58.0412 40.7533 173.2085 116 P 4.6191 0.0000 0.0000 63.3631 31.8526 177.4275 117 I 3.4703 8.7833 123.3536 63.9690 37.8317 178.1871 118 E 4.2125 8.1932 119.2845 59.5482 29.2801 178.7984 119 D 4.3784 8.0201 118.9731 57.0580 40.8665 178.4127 120 L 3.8414 7.5999 120.3619 58.3586 42.0652 179.0078 121 F 4.5983 7.6767 117.5097 60.4673 38.7154 177.8769 122 K 4.0672 8.3315 118.2730 59.5195 31.9024 179.3974 123 I 3.7258 7.9509 120.0714 64.4223 37.1642 178.5622 124 L 4.0782 8.1257 119.7812 57.8094 41.4912 179.1526 125 E 3.9849 8.4770 119.3534 59.1677 29.5387 178.8200 126 K 3.9907 8.3778 119.8858 59.4939 32.0321 179.0519 127 R 3.9599 7.9308 117.5401 59.2931 30.1397 178.7897 128 I 3.8880 7.7446 119.5613 64.3111 36.9146 178.2922 129 E 4.1066 8.0511 117.1190 58.7086 29.6618 177.9333 130 E 4.3410 7.7725 117.3968 55.2358 30.1155 176.7183 131 K 3.9452 7.1666 119.8489 56.7414 32.6063 176.3411 132 I 4.2181 8.2400 124.3822 60.0950 37.9366 175.2559 133 L 4.4775 8.2823 125.4723 53.6020 43.0869 176.5965 134 T 4.3377 8.1909 119.3719 61.3864 68.4777 173.2894 135 P 4.4156 0.0000 0.0000 62.9178 31.3773 176.3394 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 4 D 8.36 4.59 0.00 2.64 2.73 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 0.00 0.00 0.00 5 I 7.67 3.71 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 1.35 0.53 0.91 0.00 0.00 6 G 8.80 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 0.00 0.00 0.00 7 K 8.02 3.95 0.00 2.00 2.38 0.00 1.52 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.51 7.81 8 N 8.13 4.26 0.00 2.87 2.87 0.00 0.00 7.11 8.33 0.00 0.00 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 A 7.98 4.23 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 10 E 8.23 3.91 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 2.32 2.50 0.00 11 R 8.34 3.92 0.00 2.01 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 12 E 8.25 3.95 0.00 2.17 2.36 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 2.45 2.43 0.00 13 L 8.02 3.26 0.00 0.80 1.44 0.03 0.47 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 14 V 8.03 3.42 2.19 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 0.97 0.00 0.00 0.87 0.00 0.00 15 S 8.01 4.01 0.00 3.90 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 16 I 7.61 3.60 1.74 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.90 0.00 0.00 17 L 8.05 3.93 0.00 1.71 1.67 0.73 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.74 4.88 0.00 1.79 1.93 0.00 3.06 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 19 G 8.09 3.68 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 0.00 0.00 0.00 20 E 7.36 4.38 0.00 1.70 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.47 0.00 21 G 7.64 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 22 F 8.03 4.51 0.00 3.17 2.95 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 23 N 9.40 4.94 0.00 2.72 2.72 0.00 0.00 6.67 7.95 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 24 A 8.17 5.06 1.09 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 0.00 0.00 25 V 8.04 4.43 1.92 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 0.68 0.00 0.00 0.09 0.00 0.00 26 R 8.49 4.75 0.00 1.96 1.86 0.00 3.16 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 27 I 8.27 4.53 2.05 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 1.42 0.79 0.95 0.00 0.00 28 P 0.00 4.34 0.00 2.06 2.00 0.00 3.71 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 2.05 2.13 0.00 29 T 7.48 4.21 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 *35 N 8.53 4.79 0.00 2.70 2.89 0.00 0.00 7.07 7.69 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 36 P 0.00 4.46 0.00 2.25 2.18 0.00 3.77 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 2.01 2.00 0.00 37 L 7.41 4.85 0.00 1.61 1.50 0.99 1.24 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 38 P 0.00 4.39 0.00 1.89 1.80 0.00 3.06 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.72 0.00 39 D 8.66 4.58 0.00 2.73 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 5.18 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.80 0.00 0.00 41 F 8.43 5.52 0.00 3.23 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 42 A 8.70 5.02 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 43 T 8.72 5.32 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 1.31 0.00 0.00 44 K 9.22 4.37 0.00 0.93 1.25 0.00 0.61 0.00 0.00 0.74 0.00 0.00 2.56 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.99 1.08 7.81 45 G 8.79 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 0.00 0.00 0.00 46 N 8.78 4.78 0.00 2.77 2.78 0.00 0.00 6.80 7.22 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 47 T 8.04 5.14 4.53 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 1.39 0.00 0.00 48 L 8.88 5.23 0.00 1.70 1.50 1.10 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.50 5.07 0.00 1.52 1.47 0.25 -0.30 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 50 S 8.97 4.79 0.00 4.17 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.62 4.95 1.91 0.00 0.00 0.70 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 0.45 0.83 0.00 0.00 52 E 9.16 4.77 0.00 2.03 1.78 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 2.20 2.25 0.00 53 C 9.38 5.39 0.00 2.93 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 54 K 9.07 4.58 0.00 1.77 1.43 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.29 7.81 55 S 8.37 4.74 0.00 3.63 3.50 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 56 T 8.12 4.47 4.07 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 1.01 0.00 0.00 57 W 8.75 4.47 0.00 3.37 3.25 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 0.00 58 E 8.23 4.45 0.00 2.00 1.95 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 2.41 2.43 0.00 59 N 8.63 4.95 0.00 2.76 2.95 0.00 0.00 5.80 7.13 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 60 K 7.70 5.19 0.00 1.78 1.81 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.48 7.81 61 V 8.99 4.38 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 0.78 0.00 0.00 0.75 0.00 0.00 62 K 8.82 4.70 0.00 1.82 1.71 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 V 8.98 4.34 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 0.97 0.00 0.00 0.91 0.00 0.00 64 K 9.11 4.61 0.00 1.71 1.73 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 65 E 9.44 4.11 0.00 2.14 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 0.00 2.33 2.30 0.00 66 H 8.15 4.29 0.00 3.39 3.55 0.00 5.51 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.52 3.89 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.07 0.00 68 V 7.67 3.57 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 1.03 0.00 0.00 1.02 0.00 0.00 69 R 8.26 3.91 0.00 2.01 2.10 0.00 3.18 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 70 K 8.04 4.03 0.00 1.97 2.09 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.71 7.81 71 L 7.61 4.30 0.00 1.88 1.74 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.06 4.14 0.00 1.89 1.75 0.94 1.17 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 73 D 8.50 4.50 0.00 2.85 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 74 F 8.35 4.32 0.00 3.29 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.11 4.18 0.00 2.04 1.79 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.23 4.38 0.00 4.04 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 0.00 77 M 7.71 3.96 0.00 1.25 1.27 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.34 0.00 78 F 7.15 4.80 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.45 4.49 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 1.20 0.00 0.00 80 M 7.78 4.54 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 81 K 9.09 4.19 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.59 7.81 82 G 8.60 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 0.00 0.00 0.00 0.00 83 V 8.89 4.60 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 0.99 0.00 0.00 0.98 0.00 0.00 84 P 0.00 5.12 0.00 2.17 2.19 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 85 L 9.04 5.03 0.00 1.47 1.47 0.76 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.95 4.74 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 1.15 0.74 0.90 0.00 0.00 87 A 9.39 5.14 1.24 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 0.00 0.00 88 I 9.04 4.65 1.31 0.00 0.00 0.70 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 0.84 -0.33 0.00 0.00 89 K 8.01 3.63 0.00 0.79 0.74 0.00 0.92 0.00 0.00 1.06 0.00 0.00 2.48 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.58 0.21 7.81 90 F 8.65 4.39 0.00 2.89 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 91 K 8.59 3.60 0.00 0.79 0.74 0.00 0.68 0.00 0.00 1.12 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 0.79 7.81 92 Q 8.19 4.27 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.66 2.79 0.00 93 V 7.65 4.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.95 0.00 0.00 94 H 7.80 3.88 0.00 3.19 3.35 0.00 5.89 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.86 4.69 0.00 2.08 1.75 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 2.24 2.30 0.00 96 W 8.88 4.75 0.00 3.35 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 97 R 9.48 5.32 0.00 1.99 1.99 0.00 3.19 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 98 V 9.24 5.07 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 0.66 0.00 0.00 0.88 0.00 0.00 99 L 8.84 4.91 0.00 1.69 1.47 1.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.67 4.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.91 0.00 0.00 101 P 0.00 4.44 0.00 2.21 2.04 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 102 E 8.78 4.34 0.00 1.98 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 2.26 2.23 0.00 103 K 7.52 4.53 0.00 1.80 1.72 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.42 7.81 104 A 8.47 4.08 1.29 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 0.00 105 E 8.07 4.67 0.00 2.12 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 2.46 2.32 0.00 106 D 8.55 4.94 0.00 2.57 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 0.00 107 I 8.92 4.57 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 1.23 1.06 0.92 0.00 0.00 108 I 8.41 4.70 1.89 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 1.25 0.56 0.94 0.00 0.00 109 V 8.99 4.32 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 1.18 0.00 0.00 0.99 0.00 0.00 110 T 9.30 5.08 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 1.22 0.00 0.00 111 I 7.65 3.36 1.54 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.72 0.00 0.00 112 D 7.35 4.30 0.00 2.62 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 N 7.87 4.83 0.00 2.76 2.88 0.00 0.00 6.80 8.51 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 0.00 114 S 7.43 5.12 0.00 4.21 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 0.00 115 I 8.48 4.65 1.85 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 1.34 0.89 0.90 0.00 0.00 116 P 0.00 4.62 0.00 2.10 2.16 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 117 I 8.78 3.47 1.85 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 0.51 0.83 0.99 0.00 0.00 118 E 8.19 4.21 0.00 2.15 2.08 0.00 0.00 0.00 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 2.63 0.00 119 D 8.02 4.38 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.84 0.00 1.53 1.34 0.84 0.67 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 0.00 121 F 7.68 4.60 0.00 3.33 3.06 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 0.00 0.00 0.00 122 K 8.33 4.07 0.00 2.06 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.72 7.81 123 I 7.95 3.73 2.04 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 1.53 1.05 0.93 0.00 0.00 124 L 8.13 4.08 0.00 1.93 1.90 1.13 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.48 3.98 0.00 2.25 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 2.32 2.33 0.00 126 K 8.38 3.99 0.00 2.09 1.98 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.54 7.81 127 R 7.93 3.96 0.00 2.05 2.01 0.00 3.26 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 128 I 7.74 3.89 2.03 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 1.58 1.54 0.90 0.00 0.00 129 E 8.05 4.11 0.00 2.15 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 0.00 2.50 2.39 0.00 130 E 7.77 4.34 0.00 2.04 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 2.53 2.49 0.00 131 K 7.17 3.95 0.00 1.82 1.76 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.61 7.81 132 I 8.24 4.22 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 1.42 0.52 0.91 0.00 0.00 133 L 8.28 4.48 0.00 1.63 1.58 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.19 4.34 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 1.21 0.00 0.00 135 P 0.00 4.42 0.00 2.17 2.03 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.