NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1203 8.2644 123.5790 51.7354 20.6053 176.8541 *2 K 4.3928 8.0017 114.8336 56.0549 33.1656 175.0526 3 A 4.1199 8.7336 130.0339 51.0973 18.7787 175.6317 4 P 4.2740 0.0000 0.0000 62.3232 32.1276 176.5170 5 E 4.1688 8.7252 122.3010 56.2022 30.0997 177.1818 6 L 4.1470 8.5683 122.5545 55.2007 42.4186 177.0029 7 Q 4.5858 9.2106 122.4923 54.3198 30.6772 173.9373 8 I 4.6122 8.0812 124.2366 59.4268 38.9793 175.7997 9 Q 4.2071 9.1688 128.9859 58.2381 29.7545 176.0250 10 Q 4.5457 7.5832 118.2816 54.5534 32.6885 172.9851 11 W 5.2156 8.6926 125.5300 55.3294 31.1059 175.5338 12 F 4.8242 9.8723 122.7041 55.6210 41.9094 174.9468 13 N 4.5059 9.0165 114.5716 53.6847 36.1672 174.8601 14 S 4.4933 7.8848 109.4685 56.8727 65.6828 173.4652 15 A 4.1112 8.8175 131.2099 54.4275 18.4611 177.2576 16 T 4.5015 7.2219 103.3865 59.3586 71.3887 174.1772 17 D 4.3163 8.2299 121.9023 53.6186 39.6998 175.2058 18 L 4.0801 6.6421 125.5651 54.3317 42.2407 176.8473 19 T 4.8669 8.7100 112.8319 59.3098 71.8795 174.2550 20 L 4.1175 8.5621 121.3761 57.8484 42.1310 179.6892 21 A 4.0511 8.1758 121.2057 55.2435 18.5393 179.0110 22 D 4.3785 8.1281 114.9209 57.1346 41.1643 177.5207 23 L 4.5202 7.8704 116.8887 54.1306 41.9520 176.4133 24 R 4.1456 7.3938 118.3652 58.2168 30.3440 176.9294 25 G 4.0087 9.1870 111.0592 44.7642 0.0000 173.4991 26 K 4.7056 7.7375 118.7204 54.5959 35.0688 176.0063 27 V 4.1098 8.2693 123.0294 62.8438 33.0378 174.8009 28 I 4.9127 8.7905 128.3540 59.4592 40.2347 174.4458 29 V 4.7284 9.0698 127.3835 61.2047 33.7603 174.1291 30 I 4.8147 8.7420 129.5929 59.5699 39.6404 174.3037 31 E 4.8535 9.3576 129.5053 54.7960 31.0562 174.3465 32 A 5.1401 9.1561 131.1018 50.7509 20.6792 175.8271 33 F 5.2388 9.0743 116.9746 55.7878 42.1217 173.4760 34 Q 4.4227 8.4286 118.1543 55.4303 30.0855 177.4726 *36 L 3.9570 8.4775 125.6632 55.2349 43.6320 175.7329 37 C 4.4232 7.8444 121.1232 57.4278 31.7143 172.4657 38 P 4.3047 0.0000 0.0000 65.6128 31.4633 178.1923 39 G 3.8202 8.1820 106.8319 48.7184 0.0000 175.4061 40 C 4.1814 8.2461 117.5809 62.9034 28.3051 175.7663 41 V 3.8372 7.5290 114.5670 64.2748 30.8760 176.0735 *43 H 4.8772 8.3362 117.0052 55.8231 30.6558 175.7933 44 G 3.8189 8.1395 107.0581 47.4240 0.0000 175.7457 45 I 3.6836 8.2847 123.4174 63.4655 37.1763 176.7453 46 P 4.4083 0.0000 0.0000 65.4807 31.1365 178.2882 47 L 3.9454 8.1817 118.8815 58.2222 41.9775 178.9057 48 A 3.9383 7.9954 120.6082 55.3176 18.2858 179.5800 49 Q 4.1059 8.4930 116.6942 59.1327 28.7851 179.2605 50 K 4.0274 8.2247 119.5925 59.2787 32.1700 179.6070 51 V 3.7470 7.9504 118.5231 66.1313 31.3144 177.8628 52 R 3.9079 7.9492 116.9397 59.6870 29.9193 177.9657 53 A 4.1525 8.0536 119.0300 54.4288 18.5301 178.7317 54 A 4.1069 7.8330 117.7919 52.1894 19.4740 177.2660 55 F 4.8269 7.3960 114.8691 54.7970 42.6828 173.1982 56 P 4.6968 0.0000 0.0000 61.8948 31.7066 176.9948 57 E 4.1577 8.8671 119.7655 59.7051 29.5501 179.3087 58 D 4.5358 8.1103 116.6340 55.2860 40.0501 176.7922 59 K 4.4453 7.6999 119.3722 56.7790 34.6169 176.5595 60 V 4.8134 7.9501 119.0330 60.9150 34.1115 174.8872 61 A 4.5507 9.1910 130.6209 50.8321 20.5797 175.7696 62 V 4.6391 8.3465 122.1491 61.0031 33.6189 174.7084 63 L 5.2909 9.0168 127.6453 53.0154 45.8098 175.7023 64 G 4.8557 9.7758 109.6958 44.8515 0.0000 172.4413 65 L 5.1331 9.3328 125.1172 53.2434 45.2150 175.1178 66 H 4.1728 9.2322 128.9428 55.5668 30.2778 173.7366 67 T 4.7402 8.0149 118.3582 59.8865 68.0728 172.7023 68 V 3.7493 7.8063 127.7588 62.9453 31.3317 175.4551 69 F 5.4373 8.5904 121.1106 55.3470 38.9221 174.7537 70 E 4.3323 6.9937 117.6150 55.6890 32.7822 173.9053 71 H 4.0212 8.4592 113.9326 57.1121 26.5379 176.5837 72 H 4.0564 8.2833 116.8411 59.1490 29.0057 177.7404 73 E 4.0505 8.1804 116.4661 58.8452 29.3926 176.8697 74 A 4.2832 7.5889 121.5298 52.7270 18.8891 177.5604 *76 T 4.1719 7.6778 109.5169 62.4934 71.1772 172.0449 77 P 4.3099 0.0000 0.0000 65.6956 30.8159 178.8125 78 I 3.7543 7.8046 117.1966 64.0708 37.8940 178.0280 79 S 4.1880 7.5910 113.0095 61.3882 62.5944 176.3015 80 L 3.8249 7.9971 123.1574 57.7330 41.7492 178.7650 81 K 3.3255 8.0078 119.6344 59.4266 32.1349 178.5520 82 A 3.9872 7.6093 119.6019 54.9951 18.2139 178.9673 83 F 4.1604 8.3797 119.3372 61.9284 39.3268 177.5641 84 L 3.8142 8.2474 118.3616 57.7439 41.3337 179.0493 85 H 4.0471 8.1633 118.1723 59.4957 29.7066 177.3260 86 E 3.8116 8.4497 119.2310 59.2714 29.3729 177.5917 87 Y 3.9344 7.9954 114.0451 57.0328 38.2182 175.3479 88 R 3.6251 7.2816 117.9129 57.1682 28.0494 176.8454 89 I 4.0274 7.7030 118.4580 60.0542 37.7581 176.3925 90 K 4.3724 8.1891 124.4623 56.2128 33.6421 176.8552 91 F 4.6835 7.2564 113.3478 55.3052 39.0771 173.2406 92 P 4.9761 0.0000 0.0000 63.0881 32.5898 175.6343 93 V 5.1669 9.5251 123.4703 61.3435 34.7477 174.1254 94 G 3.2954 8.9782 115.9419 44.0271 0.0000 172.6089 95 V 4.1541 8.4379 125.8942 62.1591 32.5858 174.8095 96 D 4.6507 8.5434 129.0179 53.9157 41.5809 175.3700 97 Q 3.9802 8.8137 127.2778 55.8120 29.9601 174.1728 98 P 4.2235 0.0000 0.0000 63.0658 31.9134 176.6073 99 G 4.0321 8.2060 110.8574 44.1829 0.0000 173.2330 100 D 4.4856 8.6235 118.1360 55.9831 41.4737 176.8454 101 G 4.3818 7.5530 107.9971 44.2873 0.0000 174.4391 102 A 4.1873 8.3398 120.8754 51.2113 17.5575 175.6163 *104 P 4.7159 0.0000 0.0000 63.6517 32.8640 176.8717 105 R 4.0849 8.9141 117.9232 59.8445 30.1522 180.0985 106 T 4.3507 8.9060 113.5834 63.9217 68.0738 176.3752 *108 A 4.1721 8.2213 125.9920 52.2116 20.4006 179.8087 109 A 3.9794 8.1927 117.5665 55.2114 18.4323 177.9290 110 Y 4.1607 8.1142 110.8320 57.2069 38.4725 174.2249 111 Q 2.9499 7.6879 119.9293 56.4815 28.3905 174.2032 *113 R 3.8844 8.5214 119.6656 54.8990 32.4495 176.3986 114 G 3.4733 6.3791 104.2939 44.8359 0.0000 172.0731 115 T 5.0609 8.3310 111.8069 58.9278 72.1455 171.7853 116 P 4.9184 0.0000 0.0000 63.2023 32.8989 175.1259 117 S 5.4937 9.1924 118.1307 56.7310 66.8381 172.6445 118 L 5.2439 9.3537 125.0078 53.3108 44.8710 174.9610 119 L 5.1897 8.9260 126.0092 52.8668 45.1278 175.2639 120 L 5.1431 8.7480 122.7740 53.0630 44.4830 175.3639 121 I 5.0184 8.8728 125.4150 59.5153 40.1375 175.6852 122 D 4.9520 8.7522 126.5347 52.1590 41.3301 177.4131 123 K 4.1677 8.9808 115.9259 58.5266 32.0616 178.7857 124 A 4.1150 8.1306 119.7305 52.6785 19.1738 177.9602 125 G 3.9445 8.5548 104.7220 45.4907 0.0000 172.6770 126 D 4.8546 8.4724 119.7188 52.4553 41.9743 175.8045 127 L 4.2864 8.4184 125.4359 55.2544 42.4811 176.4277 128 R 4.7482 9.0884 123.9037 56.1272 32.6335 175.5781 129 A 4.6205 7.7602 119.1113 51.1494 22.9994 175.2665 130 H 5.0900 8.4926 119.9882 55.7358 31.6042 171.4857 131 H 5.0518 9.8549 123.6241 53.9079 31.0065 173.6041 132 F 5.2267 9.1409 125.4338 57.5215 40.5738 175.5884 133 G 3.6437 8.9704 113.8825 44.9182 0.0000 172.8379 134 D 4.3945 8.3261 123.0396 54.1993 41.4907 175.7436 135 V 4.2545 7.9440 122.1410 60.1251 34.1839 175.5215 136 S 4.1447 8.5793 121.3531 58.5169 63.1115 174.5779 137 E 3.9728 8.8296 129.2222 59.3747 29.3690 179.0910 138 L 3.9909 7.9132 118.5594 58.0692 41.7930 179.5069 139 L 4.0980 7.9587 118.6272 57.2739 41.4764 179.2884 140 L 4.0636 8.3199 121.0308 57.9219 41.9796 179.1240 141 G 3.7703 8.4581 105.7738 47.8201 0.0000 175.1459 142 A 4.0498 8.0819 123.5920 55.1045 18.3858 179.6111 143 E 3.9041 8.2195 116.7114 59.5657 29.4596 179.6591 144 I 3.5101 8.0387 119.8659 64.2571 37.0743 178.1687 145 A 4.0277 8.1586 121.6162 55.6301 17.9735 179.6436 146 T 3.8134 7.8708 112.9769 67.0254 68.7256 176.5164 147 L 4.1386 7.9742 120.6676 57.7005 41.3975 179.5577 148 L 4.1544 8.1655 118.6742 57.1880 41.6398 178.8117 149 G 3.8268 8.0643 103.4017 44.6150 0.0000 173.4604 150 E 4.3994 7.0884 120.5881 54.7323 30.7681 176.2941 151 A 4.0692 8.3285 124.5551 51.9040 19.1174 177.5887 152 A 4.1443 8.4274 124.9311 51.1031 19.2563 176.0460 153 P 4.4136 0.0000 0.0000 63.1115 31.3496 176.2088 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 0 A 8.26 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 K 8.00 4.39 0.00 1.79 1.74 0.00 1.59 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.29 7.81 3 A 8.73 4.12 1.42 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 4 P 0.00 4.27 0.00 1.60 1.80 0.00 2.34 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.72 0.00 5 E 8.73 4.17 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 2.35 2.35 0.00 6 L 8.57 4.15 0.00 1.81 1.71 1.23 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.21 4.59 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 8 I 8.08 4.61 1.73 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.42 -0.05 0.00 0.00 9 Q 9.17 4.21 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.12 0.00 10 Q 7.58 4.55 0.00 2.04 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.67 0.00 0.00 0.00 0.00 0.00 1.65 2.10 0.00 11 W 8.69 5.22 0.00 3.18 3.10 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 12 F 9.87 4.82 0.00 3.16 3.04 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 13 N 9.02 4.51 0.00 3.09 3.09 0.00 0.00 6.66 7.57 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 14 S 7.88 4.49 0.00 3.73 3.66 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 15 A 8.82 4.11 1.26 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 0.00 0.00 16 T 7.22 4.50 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 1.15 0.00 0.00 17 D 8.23 4.32 0.00 2.72 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 18 L 6.64 4.08 0.00 0.41 1.25 0.48 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.71 4.87 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 1.27 0.00 0.00 20 L 8.56 4.12 0.00 1.79 1.82 1.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.18 4.05 1.32 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 22 D 8.13 4.38 0.00 2.83 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 23 L 7.87 4.52 0.00 1.84 1.66 0.93 0.63 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 24 R 7.39 4.15 0.00 1.79 1.89 0.00 3.31 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 25 G 9.19 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.74 4.71 0.00 1.87 1.70 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.36 7.81 27 V 8.27 4.11 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 0.72 0.00 0.00 0.87 0.00 0.00 28 I 8.79 4.91 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 1.12 0.65 0.93 0.00 0.00 29 V 9.07 4.73 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 1.00 0.00 0.00 0.82 0.00 0.00 30 I 8.74 4.81 1.78 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 1.14 0.61 0.88 0.00 0.00 31 E 9.36 4.85 0.00 2.07 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 0.00 2.28 2.47 0.00 32 A 9.16 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 33 F 9.07 5.24 0.00 3.20 3.17 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 34 Q 8.43 4.42 0.00 1.98 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.69 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 *36 L 8.48 3.96 0.00 1.54 1.65 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.84 4.42 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 38 P 0.00 4.30 0.00 2.10 2.12 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 39 G 8.18 3.82 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 0.00 0.00 0.00 40 C 8.25 4.18 0.00 3.34 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 41 V 7.53 3.84 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 0.75 0.00 0.00 1.02 0.00 0.00 *43 H 8.34 4.88 0.00 3.38 3.36 0.00 5.68 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 44 G 8.14 3.82 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 0.00 0.00 0.00 45 I 8.28 3.68 1.90 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 1.05 0.35 0.83 0.00 0.00 46 P 0.00 4.41 0.00 2.18 2.13 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 47 L 8.18 3.95 0.00 1.90 1.90 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.00 3.94 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 49 Q 8.49 4.11 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.62 2.80 0.00 50 K 8.22 4.03 0.00 2.03 1.89 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.61 7.81 51 V 7.95 3.75 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 1.02 0.00 0.00 1.01 0.00 0.00 52 R 7.95 3.91 0.00 1.75 2.19 0.00 3.40 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 53 A 8.05 4.15 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 54 A 7.83 4.11 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 55 F 7.40 4.83 0.00 3.06 2.92 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 56 P 0.00 4.70 0.00 2.50 2.19 0.00 3.90 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 2.12 2.02 0.00 57 E 8.87 4.16 0.00 2.04 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 2.44 2.28 0.00 58 D 8.11 4.54 0.00 2.79 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 59 K 7.70 4.45 0.00 1.93 1.89 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.55 7.81 60 V 7.95 4.81 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 0.62 0.00 0.00 0.74 0.00 0.00 61 A 9.19 4.55 1.22 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 62 V 8.35 4.64 1.82 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 0.12 0.00 0.00 0.82 0.00 0.00 63 L 9.02 5.29 0.00 1.73 1.83 1.10 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.78 4.86 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 0.00 0.00 0.00 65 L 9.33 5.13 0.00 1.71 1.51 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.23 4.17 0.00 2.85 2.96 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.01 4.74 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 1.26 0.00 0.00 68 V 7.81 3.75 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 0.65 0.00 0.00 0.56 0.00 0.00 69 F 8.59 5.44 0.00 3.10 3.03 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 70 E 6.99 4.33 0.00 1.68 1.55 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 1.61 1.96 0.00 71 H 8.46 4.02 0.00 3.19 3.26 0.00 5.63 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 72 H 8.28 4.06 0.00 3.07 3.35 0.00 5.90 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.18 4.05 0.00 1.96 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 2.32 2.32 0.00 74 A 7.59 4.28 1.27 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 *76 T 7.68 4.17 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 1.27 0.00 0.00 77 P 0.00 4.31 0.00 2.34 2.58 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 78 I 7.80 3.75 1.92 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 1.67 1.41 0.93 0.00 0.00 79 S 7.59 4.19 0.00 4.05 3.87 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 80 L 8.00 3.82 0.00 1.53 1.56 0.76 0.41 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 81 K 8.01 3.33 0.00 1.85 1.96 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.62 7.81 82 A 7.61 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.16 0.00 3.18 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 84 L 8.25 3.81 0.00 1.79 1.63 0.77 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.16 4.05 0.00 3.21 3.45 0.00 5.59 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 86 E 8.45 3.81 0.00 1.99 1.77 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 2.37 2.40 0.00 87 Y 8.00 3.93 0.00 2.40 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 88 R 7.28 3.63 0.00 1.88 1.91 0.00 3.06 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 89 I 7.70 4.03 1.60 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.08 0.00 0.00 90 K 8.19 4.37 0.00 1.74 1.85 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.33 7.81 91 F 7.26 4.68 0.00 3.32 3.14 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 0.00 92 P 0.00 4.98 0.00 2.34 2.04 0.00 4.00 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 2.15 2.14 0.00 93 V 9.53 5.17 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 1.28 0.00 0.00 1.10 0.00 0.00 94 G 8.98 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 0.00 0.00 0.00 95 V 8.44 4.15 2.05 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 0.94 0.00 0.00 1.13 0.00 0.00 96 D 8.54 4.65 0.00 2.68 2.53 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 97 Q 8.81 3.98 0.00 2.32 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 98 P 0.00 4.22 0.00 2.06 1.97 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 99 G 8.21 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 0.00 100 D 8.62 4.49 0.00 2.67 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 0.00 101 G 7.55 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 0.00 0.00 0.00 0.00 102 A 8.34 4.19 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 0.00 0.00 0.00 0.00 0.00 *104 P 0.00 4.72 0.00 2.49 2.12 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 105 R 8.91 4.08 0.00 1.85 2.11 0.00 3.12 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 106 T 8.91 4.35 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 1.29 0.00 0.00 *108 A 8.22 4.17 1.33 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 0.00 0.00 109 A 8.19 3.98 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 0.00 110 Y 8.11 4.16 0.00 3.03 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 0.00 111 Q 7.69 2.95 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 *113 R 8.52 3.88 0.00 0.67 1.32 0.00 3.25 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.16 0.00 114 G 6.38 3.47 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 0.00 0.00 0.00 0.00 115 T 8.33 5.06 4.43 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 1.46 0.00 0.00 116 P 0.00 4.92 0.00 2.29 2.33 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 117 S 9.19 5.49 0.00 3.85 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 0.00 118 L 9.35 5.24 0.00 1.70 1.57 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.93 5.19 0.00 1.47 1.46 0.58 0.59 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 0.00 120 L 8.75 5.14 0.00 1.57 1.53 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.87 5.02 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 1.01 0.00 0.00 122 D 8.75 4.95 0.00 2.79 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 0.00 123 K 8.98 4.17 0.00 1.84 1.90 0.00 2.02 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.59 1.39 7.81 124 A 8.13 4.12 1.32 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 0.00 125 G 8.55 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 0.00 0.00 0.00 126 D 8.47 4.85 0.00 3.09 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 0.00 127 L 8.42 4.29 0.00 1.65 1.61 1.17 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 128 R 9.09 4.75 0.00 1.64 1.91 0.00 3.39 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 129 A 7.76 4.62 1.13 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 0.00 0.00 130 H 8.49 5.09 0.00 3.14 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.85 5.05 0.00 3.14 3.22 0.00 5.63 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 0.00 132 F 9.14 5.23 0.00 2.88 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 0.00 133 G 8.97 3.64 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 0.00 0.00 0.00 134 D 8.33 4.39 0.00 2.60 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.94 4.25 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 0.69 0.00 0.00 0.99 0.00 0.00 136 S 8.58 4.14 0.00 3.91 3.72 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 0.00 137 E 8.83 3.97 0.00 2.06 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 2.42 2.41 0.00 138 L 7.91 3.99 0.00 1.69 1.73 0.92 0.68 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 0.00 139 L 7.96 4.10 0.00 1.70 1.71 0.92 0.57 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 0.00 140 L 8.32 4.06 0.00 1.81 1.82 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.46 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 0.00 142 A 8.08 4.05 1.44 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 0.00 0.00 0.00 143 E 8.22 3.90 0.00 2.22 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 2.36 2.63 0.00 144 I 8.04 3.51 1.55 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 -0.10 0.00 0.00 145 A 8.16 4.03 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 0.00 0.00 0.00 0.00 0.00 146 T 7.87 3.81 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 1.21 0.00 0.00 147 L 7.97 4.14 0.00 1.78 1.68 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.17 4.15 0.00 1.74 1.75 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.06 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 0.00 0.00 0.00 150 E 7.09 4.40 0.00 2.04 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 2.31 2.48 0.00 151 A 8.33 4.07 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 0.00 152 A 8.43 4.14 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 0.00 153 P 0.00 4.41 0.00 2.07 2.03 0.00 3.97 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 2.04 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.