NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1204 8.1127 120.8626 56.8673 30.0041 174.5314 3 V 3.1796 8.3190 122.3857 61.5499 29.9677 171.2666 4 K 4.4141 8.2767 116.8584 56.8858 34.2170 176.3555 5 M 4.2574 7.8213 119.4771 56.2790 32.2260 174.6225 6 H 4.5913 8.6640 113.7559 55.8763 30.5559 176.8307 7 V 2.9291 6.8570 117.5603 64.1879 33.6620 176.4119 8 K 4.7934 7.4114 118.4953 54.7514 35.2197 174.6185 9 K 4.2750 7.4665 114.7550 56.9884 34.3947 177.1227 10 G 3.9567 8.4852 102.3428 44.5899 0.0000 172.2832 11 D 4.4942 7.2929 121.1838 53.3625 41.8246 175.0529 12 T 5.0050 8.3449 115.4694 64.1827 69.7981 174.4134 13 V 4.4625 8.8129 123.8309 60.9397 35.7925 172.0342 14 L 4.9686 8.9227 122.8400 53.1471 44.8155 175.1741 15 V 4.3537 8.4614 125.9935 62.0484 32.6328 175.4987 16 A 5.0141 9.0112 130.1499 50.6223 19.7672 177.1250 17 S 4.9449 8.3006 123.0054 59.1722 63.2308 174.8685 18 G 3.8104 9.0270 106.6784 44.9913 0.0000 174.1715 19 K 3.7858 9.1936 119.8651 59.0615 33.6134 176.9841 20 Y 4.5758 7.2442 111.1043 56.8017 37.6952 178.5005 21 K 4.0099 8.0134 121.0298 56.6806 30.5354 171.7838 22 G 3.7710 10.3089 115.9255 45.2472 0.0000 171.3773 23 R 4.4257 8.2657 120.3098 55.1370 34.1542 176.8691 24 V 3.6565 7.4349 111.9927 63.3856 30.3367 172.6875 25 G 4.1228 7.9103 115.6026 44.2534 0.0000 170.1494 26 K 4.0649 8.2511 120.0199 55.1485 33.0401 176.3490 27 V 4.2762 8.0156 115.4289 63.1444 31.8143 177.4357 28 K 4.0344 8.5323 122.5136 55.5545 32.8801 176.0381 29 E 3.7377 8.1757 117.5008 56.5027 27.1402 174.9785 30 V 3.7759 7.5874 115.1857 62.4462 31.7646 174.4257 31 L 4.2018 7.7755 124.2906 54.6130 42.2916 175.3972 32 P 4.8652 0.0000 0.0000 62.5163 32.1899 177.1621 33 K 3.6900 8.2843 122.1919 59.9263 31.9691 177.4310 34 K 4.2757 8.0093 114.7365 55.5857 32.6260 176.2332 35 Y 3.6243 8.5425 119.5401 58.2627 37.6731 169.3462 36 A 4.5462 6.8559 123.3779 51.4627 23.2330 174.5813 37 V 4.2939 7.6423 111.8632 60.7068 32.4705 175.6711 38 I 4.2689 8.8393 123.2418 63.4202 46.4283 177.8303 39 V 3.2658 7.1585 115.8923 63.7119 32.7784 174.1783 40 E 4.7561 8.9875 112.8654 55.8555 33.5977 176.0092 41 G 3.7848 7.0394 107.2319 45.5343 0.0000 177.5492 42 V 2.5985 8.1480 126.7555 62.8637 32.0200 172.8623 43 N 5.2170 8.5284 124.1867 51.7625 42.1517 173.5053 44 I 4.6473 8.1154 122.1876 60.1126 42.1530 174.1987 45 V 4.0435 8.0608 122.5091 61.3963 32.4340 176.6054 46 K 4.3783 8.3043 131.1596 56.1397 32.8422 176.5628 47 K 4.4787 8.5419 115.7003 56.6451 34.6076 177.1021 48 A 3.2871 8.0090 114.0760 52.6831 15.2487 176.3654 49 V 3.7648 7.8391 124.7184 63.3306 32.6973 176.7537 50 R 4.2299 8.1302 120.7107 55.7667 28.4503 178.2943 51 V 3.7741 7.4109 118.5588 63.2460 31.8116 175.8940 52 S 4.1862 9.1664 124.7785 61.9908 63.0167 175.1473 53 P 4.3636 0.0000 0.0000 64.9373 31.4181 176.5013 54 K 4.4551 8.2412 114.5623 57.5230 34.3260 175.9310 55 Y 4.5677 8.0647 118.5459 54.8348 36.8675 173.8373 56 P 4.2263 0.0000 0.0000 65.1532 31.7571 177.2152 57 Q 4.5039 8.1380 116.8125 56.7266 32.4457 174.6147 58 G 4.0826 8.5283 111.5938 46.1756 0.0000 173.7980 59 G 4.2338 6.8989 107.3001 43.8361 0.0000 173.0637 60 F 5.6315 7.9506 127.4861 58.3418 41.6088 172.9738 61 I 4.5040 8.0282 117.1252 58.6310 40.9447 172.9519 62 E 4.6966 8.1307 123.5614 54.4604 33.0152 175.4378 63 K 4.6080 8.5991 123.9777 56.9128 34.0341 176.9749 64 E 4.6935 8.7657 129.1875 55.9618 31.9012 174.5565 65 A 4.7295 9.4872 123.0378 49.6605 21.3668 174.8040 66 P 4.3314 0.0000 0.0000 64.6481 31.9419 172.7750 67 L 3.6679 7.9196 126.2089 54.0502 43.0012 173.2794 68 H 4.2622 8.5374 124.4159 56.2751 30.7479 175.7764 69 A 3.9947 8.2537 127.6447 54.3575 18.5544 178.6401 70 S 4.5169 8.3357 108.9586 58.5312 62.4714 174.0391 71 K 4.5952 7.8405 116.0150 56.3187 33.4221 175.8438 72 V 4.9718 7.4362 112.5938 59.5724 34.4464 175.4600 73 R 4.6980 8.8320 122.3917 53.6526 33.9445 174.0868 74 P 4.1944 0.0000 0.0000 64.3474 31.1161 173.8544 75 I 4.5006 7.4484 111.9639 61.5986 40.5160 173.4609 76 C 4.5523 9.2097 125.3760 60.4218 34.3386 172.6079 77 P 3.9990 0.0000 0.0000 62.3845 28.5612 173.6732 78 A 4.7761 6.4860 130.5560 52.3161 20.7679 175.9954 79 C 4.9093 8.0130 114.1538 59.2908 29.8468 174.5461 80 G 3.9846 8.2695 105.0818 44.8343 0.0000 169.3522 81 K 3.6358 7.7758 126.6599 54.2684 33.2169 173.4770 82 P 4.1926 0.0000 0.0000 62.4468 32.0920 174.7140 83 T 4.5493 8.3327 111.9500 61.0059 70.0693 174.0487 84 R 4.6993 8.4155 126.0279 54.4856 33.5299 174.1494 85 V 4.8002 8.1440 118.3230 61.1422 34.9234 174.3969 86 R 4.8564 8.3967 126.0296 54.3352 33.4912 176.3941 87 K 4.0935 8.7527 121.9595 57.5452 33.3424 178.7934 88 K 3.9168 8.5933 116.6691 55.9177 29.6184 176.8232 89 F 4.1450 8.3563 118.1627 58.5987 38.9860 174.5053 90 L 4.6346 7.5655 115.9601 57.0135 47.7396 175.0034 91 E 4.6395 8.2963 114.3785 55.4660 29.2866 177.8715 92 N 4.6156 8.5936 128.6604 54.3172 41.5270 172.3192 93 G 4.3469 8.0819 111.6972 43.6500 0.0000 172.1347 94 K 5.1495 7.8989 118.7873 54.4572 31.0333 176.2352 95 K 4.2074 7.8664 120.2982 57.6058 33.8461 178.3232 96 I 4.0854 8.1697 122.3651 61.3958 38.1718 176.5975 97 R 4.0128 7.9673 126.1386 55.8517 29.2703 175.9697 98 V 3.2233 8.2269 127.6918 61.7917 28.2821 170.6114 99 C 5.2097 8.2532 125.6070 59.4861 33.6558 172.8372 100 A 3.1698 8.8421 118.7077 54.8281 18.2503 175.0419 101 K 3.7268 8.4850 116.9286 56.9670 28.7046 175.0407 102 C 4.2467 8.5609 122.1150 63.1106 32.3629 173.0456 103 G 3.4172 9.8302 112.8867 46.1501 0.0000 179.1007 104 G 3.2855 8.1605 106.7534 41.7139 0.0000 178.6926 105 A 3.3671 8.3572 126.5422 53.3471 18.5848 178.5707 106 L 3.8651 8.8805 110.5817 55.4891 40.2010 173.9870 107 D 4.2430 7.6703 128.0356 55.8104 45.0845 176.7481 *108 T 4.1630 7.9132 114.8010 60.9668 69.1655 175.6958 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 R 8.11 4.12 0.00 1.83 1.93 0.00 3.45 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 3 V 8.32 3.18 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 0.80 0.00 0.00 0.93 0.00 0.00 4 K 8.28 4.41 0.00 2.04 1.94 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.44 7.81 5 M 7.82 4.26 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 6 H 8.66 4.59 0.00 3.46 3.60 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 6.86 2.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.00 0.00 0.00 8 K 7.41 4.79 0.00 1.65 1.72 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 9 K 7.47 4.27 0.00 1.80 1.70 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 10 G 8.49 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.29 4.49 0.00 2.85 2.77 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 12 T 8.34 5.01 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 1.28 0.00 0.00 13 V 8.81 4.46 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 0.71 0.00 0.00 1.02 0.00 0.00 14 L 8.92 4.97 0.00 1.73 1.66 0.96 0.89 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 15 V 8.46 4.35 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 1.08 0.00 0.00 0.94 0.00 0.00 16 A 9.01 5.01 1.23 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 0.00 0.00 17 S 8.30 4.94 0.00 4.02 3.26 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 0.00 18 G 9.03 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 0.00 0.00 0.00 19 K 9.19 3.79 0.00 2.06 1.94 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.57 7.81 20 Y 7.24 4.58 0.00 2.92 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 21 K 8.01 4.01 0.00 1.98 1.76 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.54 7.81 22 G 10.31 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 23 R 8.27 4.43 0.00 1.83 1.96 0.00 3.49 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 24 V 7.43 3.66 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 0.89 0.00 0.00 0.94 0.00 0.00 25 G 7.91 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.25 4.06 0.00 1.72 1.75 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 27 V 8.02 4.28 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 0.91 0.00 0.00 0.98 0.00 0.00 28 K 8.53 4.03 0.00 1.73 1.84 0.00 1.91 0.00 0.00 1.68 0.00 0.00 3.29 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.41 7.81 29 E 8.18 3.74 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 2.22 2.32 0.00 30 V 7.59 3.78 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 1.00 0.00 0.00 0.89 0.00 0.00 31 L 7.78 4.20 0.00 1.71 1.62 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.87 0.00 2.43 2.37 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 33 K 8.28 3.69 0.00 1.75 1.91 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.50 7.81 34 K 8.01 4.28 0.00 1.78 1.81 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.41 7.81 35 Y 8.54 3.62 0.00 2.82 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 36 A 6.86 4.55 1.18 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 0.00 0.00 37 V 7.64 4.29 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 0.64 0.00 0.00 0.97 0.00 0.00 38 I 8.84 4.27 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.89 0.00 0.00 39 V 7.16 3.27 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 0.79 0.00 0.00 0.90 0.00 0.00 40 E 8.99 4.76 0.00 1.94 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 2.20 2.24 0.00 41 G 7.04 3.78 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 0.00 0.00 0.00 42 V 8.15 2.60 1.87 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 0.88 0.00 0.00 0.72 0.00 0.00 43 N 8.53 5.22 0.00 2.63 2.65 0.00 0.00 6.90 7.45 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 44 I 8.12 4.65 1.84 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 1.11 0.55 0.89 0.00 0.00 45 V 8.06 4.04 1.81 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 0.11 0.00 0.00 0.80 0.00 0.00 46 K 8.30 4.38 0.00 1.77 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 47 K 8.54 4.48 0.00 1.76 1.95 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 2.08 7.81 48 A 8.01 3.29 1.03 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 49 V 7.84 3.76 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.90 0.00 0.00 50 R 8.13 4.23 0.00 1.97 2.01 0.00 3.13 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 51 V 7.41 3.77 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 0.97 0.00 0.00 0.83 0.00 0.00 52 S 9.17 4.19 0.00 3.91 3.98 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 0.00 0.00 0.00 53 P 0.00 4.36 0.00 2.08 2.12 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 54 K 8.24 4.46 0.00 1.85 2.20 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.42 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.43 7.81 55 Y 8.06 4.57 0.00 2.98 2.91 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 0.00 0.00 0.00 56 P 0.00 4.23 0.00 2.19 2.25 0.00 3.88 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 2.03 2.01 0.00 57 Q 8.14 4.50 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.62 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 58 G 8.53 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 59 G 6.90 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 0.00 0.00 0.00 60 F 7.95 5.63 0.00 3.05 3.08 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 0.00 0.00 0.00 61 I 8.03 4.50 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 1.28 1.02 0.93 0.00 0.00 62 E 8.13 4.70 0.00 2.00 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 2.18 2.26 0.00 63 K 8.60 4.61 0.00 1.75 1.43 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 64 E 8.77 4.69 0.00 1.76 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 2.26 2.32 0.00 65 A 9.49 4.73 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 66 P 0.00 4.33 0.00 2.00 2.12 0.00 3.80 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 67 L 7.92 3.67 0.00 1.78 1.56 0.88 0.81 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 68 H 8.54 4.26 0.00 3.21 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.25 3.99 0.69 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 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.34 4.52 0.00 3.97 3.69 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 0.00 0.00 0.00 0.00 71 K 7.84 4.60 0.00 1.89 1.78 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.37 7.81 72 V 7.44 4.97 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 0.66 0.00 0.00 0.98 0.00 0.00 73 R 8.83 4.70 0.00 1.69 1.78 0.00 3.17 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 74 P 0.00 4.19 0.00 2.21 2.28 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.00 0.00 75 I 7.45 4.50 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 1.28 1.55 0.95 0.00 0.00 76 C 9.21 4.55 0.00 2.92 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 77 P 0.00 4.00 0.00 2.16 2.39 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 78 A 6.49 4.78 1.25 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 79 C 8.01 4.91 0.00 3.08 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 80 G 8.27 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.78 3.64 0.00 1.88 1.80 0.00 1.78 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.44 7.81 82 P 0.00 4.19 0.00 2.22 2.00 0.00 3.64 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 2.13 2.13 0.00 83 T 8.33 4.55 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 84 R 8.42 4.70 0.00 1.92 1.84 0.00 3.04 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 85 V 8.14 4.80 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 0.96 0.00 0.00 0.94 0.00 0.00 86 R 8.40 4.86 0.00 1.87 1.72 0.00 3.15 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 87 K 8.75 4.09 0.00 2.02 2.08 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.56 7.81 88 K 8.59 3.92 0.00 2.10 2.04 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.50 7.81 89 F 8.36 4.14 0.00 3.12 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 90 L 7.57 4.63 0.00 1.65 1.61 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.30 4.64 0.00 1.93 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 2.21 2.21 0.00 92 N 8.59 4.62 0.00 2.74 2.72 0.00 0.00 6.56 7.98 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 93 G 8.08 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.90 5.15 0.00 1.75 1.85 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.28 7.81 95 K 7.87 4.21 0.00 1.74 1.80 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.50 7.81 96 I 8.17 4.09 1.77 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 1.23 0.47 0.91 0.00 0.00 97 R 7.97 4.01 0.00 1.82 1.88 0.00 3.30 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 98 V 8.23 3.22 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 0.77 0.00 0.00 0.93 0.00 0.00 99 C 8.25 5.21 0.00 2.97 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 0.00 100 A 8.84 3.17 1.34 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 0.00 0.00 0.00 101 K 8.48 3.73 0.00 1.90 1.85 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.40 7.81 102 C 8.56 4.25 0.00 3.13 2.96 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 0.00 0.00 0.00 103 G 9.83 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 0.00 0.00 0.00 104 G 8.16 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 0.00 0.00 0.00 105 A 8.36 3.37 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 0.00 106 L 8.88 3.87 0.00 1.83 1.86 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.67 4.24 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *108 T 7.91 4.16 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 * Residues marked with a * may have inaccurate shift predictions.