NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -11 H 4.7210 8.3027 120.3975 56.4572 32.2371 174.6451 -10 H 3.9585 8.5215 118.2585 59.6676 29.5690 175.4010 -9 H 4.3178 8.3538 117.7474 58.8468 28.9456 176.5222 -8 H 4.0393 8.1795 119.6762 59.9437 29.7481 176.9391 -7 H 4.1887 8.3535 117.6637 58.3690 28.5205 177.3897 -6 E 4.1177 8.5983 123.2538 58.7303 29.4187 178.4442 -5 N 4.7691 8.7165 118.6925 56.1829 38.9662 176.5634 -4 L 3.9492 7.8263 120.4761 58.0788 41.5258 178.7539 -3 Y 4.0304 7.8357 117.7301 60.9440 38.7879 178.1261 -2 F 3.9090 8.2739 118.3733 60.6227 38.7656 177.8606 -1 Q 4.3121 8.4964 117.1332 58.5489 28.5633 178.1397 0 G 3.7929 7.9525 104.1219 45.2482 0.0000 173.8100 -9 Y 4.1378 8.0538 119.8474 61.7468 37.7456 178.3222 -8 P 3.7293 0.0000 0.0000 68.2437 32.8481 180.1391 -7 D 4.0987 8.2735 119.8637 57.5690 40.6205 179.5897 -6 L 4.1077 8.3383 124.8538 57.2303 41.9187 179.4442 -5 V 4.1491 8.3465 119.1925 65.2829 32.9662 177.6634 -4 H 4.3392 8.0863 116.8761 57.9788 28.1258 175.2539 -3 L 3.8204 7.8757 119.2301 58.1440 43.3879 179.8261 -2 G 3.2490 8.3039 106.8733 48.0227 0.0000 176.9606 -1 G 3.9321 8.5064 106.1332 47.9489 0.0000 177.0397 0 A 4.1529 7.8625 119.1219 52.6482 19.7296 176.7100 12 D 4.5503 8.1599 117.6832 56.2365 39.1260 178.5879 13 K 3.9689 8.1444 118.5194 58.2384 32.2389 176.6459 14 Y 5.0104 7.5458 116.3894 56.0556 39.2037 177.4391 15 F 4.0887 8.2876 124.0407 61.8936 39.3678 176.3235 16 E 3.8484 8.2500 117.3516 59.3794 29.2376 179.0482 17 E 4.0009 8.1250 118.2355 59.3676 29.5315 179.3268 18 I 3.6604 7.9001 120.0341 63.9501 37.2010 177.9374 19 L 3.5900 7.7213 121.6500 58.2061 41.5528 178.7855 20 E 3.8900 7.7433 117.6422 59.1523 29.7156 178.5482 21 I 3.7988 7.6563 119.7751 64.6694 37.2409 178.9723 22 V 3.4901 7.7462 113.2066 63.8872 30.9701 177.4951 23 N 4.7975 7.7584 113.6168 53.5208 38.5113 176.1868 24 K 4.1583 7.6714 120.7423 57.7777 32.3853 177.3905 25 I 4.0051 7.5529 119.9971 61.2557 38.5279 174.7486 26 K 4.7068 8.7922 124.6469 55.8051 35.5484 177.9345 27 L 3.6789 8.6692 117.9287 55.4828 40.5365 175.5181 28 F 4.5356 8.5509 114.0929 56.5691 40.1732 176.4301 29 G 3.9829 8.3049 106.9515 45.8583 0.0000 173.2125 30 D 4.8119 8.1122 120.7844 53.0482 42.1418 176.1010 31 F 4.6343 9.7199 120.5132 57.1442 39.7300 177.0693 32 S 4.5971 9.3046 120.6819 57.7342 65.2512 175.1687 33 N 4.6182 8.8511 120.1265 56.9897 38.3714 177.4849 34 E 4.0841 8.2787 119.2316 59.4234 29.5509 179.0575 35 E 4.1177 8.5062 118.8143 59.5579 29.5607 179.6260 36 V 3.6717 8.4291 118.6088 66.1029 31.3486 178.2781 37 R 4.2384 8.4540 117.1900 59.3781 30.2344 178.1804 38 Y 4.2585 8.2593 119.3551 60.6035 38.8145 177.5331 39 L 3.9725 8.4567 121.5210 58.5700 41.9837 178.5922 40 C 4.1144 8.4961 116.1054 62.9787 28.1320 176.0977 41 S 4.3171 7.8452 114.4706 60.7318 62.6019 173.9284 42 Y 4.2223 8.0091 120.2572 58.6679 38.0887 175.1490 *44 Q 4.4456 7.8810 117.2505 56.1241 30.5981 174.1258 45 C 5.0787 7.9936 117.3748 58.2537 31.8424 173.0258 46 Y 4.5886 7.8699 117.1388 56.1701 42.3164 173.8951 47 A 5.2099 8.7552 123.3298 49.6343 20.8402 176.0525 48 A 4.9638 9.2036 125.1824 49.5886 21.6147 174.7221 49 P 4.9142 0.0000 0.0000 61.3817 33.7010 175.4035 50 R 3.8140 8.5042 119.8511 58.2310 30.1135 175.1711 51 D 4.4466 9.2768 123.1332 55.3739 40.3373 172.5196 52 C 4.4721 7.6070 117.4835 57.8197 33.0558 172.4325 53 Q 4.6757 8.7999 128.1250 55.5607 27.6829 175.1264 54 L 4.2089 8.6939 127.0886 57.0787 42.3715 177.8421 55 L 5.0080 7.8478 116.7713 53.1708 46.5587 175.6233 56 T 4.8640 8.3377 117.9911 61.2841 71.7323 173.1590 57 E 4.1126 8.8176 127.5603 58.2479 29.9174 177.4453 58 G 3.9937 9.0664 114.6021 45.5070 0.0000 173.5578 59 D 4.5919 7.8573 119.7846 53.2605 41.5555 174.3305 60 P 4.6885 0.0000 0.0000 62.7661 32.1290 176.4221 61 G 3.9358 7.8543 106.3165 45.0918 0.0000 173.0723 62 D 4.9360 8.4310 123.0614 52.4540 40.1682 174.3458 63 Y 5.4829 7.3572 115.7205 56.3183 41.2711 173.5572 64 L 5.0278 9.1183 120.7042 54.0263 44.5002 174.9287 65 L 5.3086 9.0431 119.2198 53.0333 45.3473 175.7037 66 L 4.8464 8.8894 124.3330 53.5448 43.3134 175.9386 67 I 4.2485 8.7138 126.7826 61.0884 37.5157 176.7023 68 L 4.3819 8.9620 128.5730 56.5842 42.5865 177.2138 69 T 4.5271 7.7472 106.6596 60.9776 72.3804 173.8060 70 G 4.1070 10.0080 106.8435 44.3208 0.0000 171.4491 71 E 4.9625 8.2567 118.6079 55.0996 33.7658 175.6989 72 V 4.8299 9.0929 126.0040 61.2629 35.3940 173.6020 73 N 4.9769 9.0332 125.4017 52.1270 40.3844 174.0606 74 V 4.7490 8.9740 125.0907 61.4760 33.1131 174.6782 75 I 5.1714 8.8191 121.1920 59.1785 41.3996 174.2014 76 K 4.8660 8.8772 123.7181 55.0161 36.1237 174.9805 77 D 4.9412 9.3264 127.4113 53.6553 41.0309 174.7794 78 I 4.2818 8.7987 127.6277 58.9444 38.8833 173.9543 79 P 4.2792 0.0000 0.0000 65.1170 31.5888 177.7079 80 N 4.6565 9.0148 117.4947 52.5555 35.7285 172.5671 81 K 4.4696 7.6755 112.6705 55.9656 35.1032 177.3822 82 G 3.7653 8.1495 106.1430 44.2675 0.0000 171.5795 83 I 4.3988 8.0546 120.4085 61.2350 37.7616 175.0738 84 Q 4.5890 8.8937 125.8868 54.6461 33.1347 173.6423 85 T 4.6964 8.4957 121.5642 63.2427 68.5200 174.5797 86 I 4.2086 8.6485 120.8101 62.1613 39.0947 175.7383 87 A 4.6275 7.5423 122.3065 50.7449 22.5602 175.0914 88 K 4.9800 8.5610 118.6861 54.7414 35.2018 176.2091 89 V 4.5012 9.0241 117.7192 59.7707 36.1633 175.3353 90 G 3.8115 8.1162 110.2904 43.6113 0.0000 171.3751 91 A 4.1763 8.6167 123.5952 54.0925 18.7230 178.1492 92 G 3.9461 9.0988 111.5816 44.9323 0.0000 173.9828 93 A 4.2898 7.9839 121.5578 51.9374 19.8347 176.3563 94 I 4.9903 8.2262 120.1643 59.4706 39.7615 175.2228 95 I 4.6797 8.1371 119.5871 58.9067 41.2374 176.5259 96 G 3.8669 9.0067 110.6593 45.5851 0.0000 175.5838 97 E 4.0878 7.7309 118.2866 56.1489 28.7313 177.6454 *99 S 4.5341 7.8819 111.8270 59.7711 64.4866 176.3370 *101 I 4.0902 7.9472 121.9758 60.7769 39.0357 176.6145 102 D 4.7445 7.8034 116.4259 51.9472 40.8203 173.7244 103 G 3.7270 7.8400 110.1573 45.3761 0.0000 171.1185 *105 P 4.3136 0.0000 0.0000 62.0713 33.1796 176.9818 106 R 4.1952 8.8429 119.2019 56.1203 30.3458 178.5368 107 S 4.1705 8.6188 116.1889 60.5378 63.7010 173.4354 108 A 4.6177 7.3815 120.2408 51.0408 22.0760 175.5999 109 S 4.7937 8.9298 115.6382 57.8869 65.2293 173.5492 110 C 5.2155 9.1118 120.6312 58.0144 31.4370 173.0868 111 V 4.8325 8.5325 123.7692 60.5599 34.1270 174.3163 112 A 4.5966 9.2422 130.8166 52.4351 18.4849 177.9115 113 S 3.9660 9.0308 118.2602 59.9745 64.1059 174.2751 114 L 4.9740 7.6800 118.4140 51.6816 45.6957 174.5168 115 P 4.5393 0.0000 0.0000 63.8137 32.1397 176.2200 116 T 4.9008 9.0155 119.8653 60.9604 72.3730 172.6511 117 D 5.3598 8.7724 126.6570 53.0680 43.2954 175.5993 118 F 5.1459 8.3122 115.4126 55.7649 41.7757 172.7820 119 A 4.9795 8.9380 122.1335 50.5047 21.4516 175.9173 120 V 4.8561 8.4120 120.7049 60.9959 33.8630 174.7275 121 L 4.9109 8.9684 129.9223 53.3593 44.4491 176.1149 122 S 5.0987 8.7507 121.0148 57.1960 64.9263 175.1568 123 R 3.6660 8.8200 121.5373 59.5566 29.6350 178.3999 124 D 4.2185 7.8842 117.9471 57.3071 40.7737 178.5632 125 A 4.0891 7.9437 121.1222 55.1240 18.3984 179.3735 126 L 3.8440 8.0614 118.9004 58.4261 42.0092 178.3919 127 Y 4.4472 8.1981 117.0433 61.7611 37.8274 178.9370 128 Q 4.1412 8.4250 118.4287 58.9606 28.6545 178.8748 129 L 3.9432 8.0877 120.4906 58.1880 42.1936 178.7028 130 L 4.1364 8.2010 117.8482 57.7317 41.6208 179.0410 131 A 4.1983 8.2116 120.0399 55.0322 18.4515 178.5578 132 N 4.6168 8.1782 112.1199 53.5549 39.1162 174.2378 *134 P 4.4602 0.0000 0.0000 62.6355 33.7807 179.0597 135 K 3.9281 7.9565 118.2229 59.0983 32.0090 178.6401 136 L 3.9293 7.9505 120.3119 58.1498 41.8683 178.8729 137 G 3.7573 8.1402 104.9893 48.2930 0.0000 175.1878 138 N 4.3248 8.1663 118.7384 55.4487 38.4209 177.8328 139 K 3.7192 7.7183 120.1133 59.2301 32.0416 179.3078 140 V 3.8517 7.9605 118.5066 66.2869 31.3844 178.1292 141 L 4.0183 8.2276 118.8857 57.8140 41.4562 179.5438 142 I 3.5105 7.9248 120.0846 64.1843 36.9389 178.4253 143 R 3.9731 8.2664 119.6914 59.5393 29.9430 178.6647 144 L 4.0478 8.1217 118.7725 57.4955 41.5071 179.3538 145 L 3.9772 8.2366 119.4630 58.1363 41.6370 179.7190 146 Q 4.1017 8.1593 119.1196 57.9531 28.5712 178.3635 147 L 3.9663 8.0735 121.6137 58.3258 42.0868 179.1977 148 L 4.0908 8.1122 119.0831 57.8753 41.1235 179.6318 149 T 3.9197 8.2535 109.7850 64.7988 68.6750 176.4246 150 A 4.0883 8.1191 123.8993 54.8766 18.3227 179.6243 151 R 3.8360 8.1243 117.2270 59.3768 30.1707 178.5922 152 F 4.0721 8.7502 120.9562 61.3450 39.4643 177.3981 153 R 4.0960 8.5264 118.0539 59.2623 30.0296 178.7132 154 E 3.9245 8.4660 119.2459 59.4936 29.6260 179.0791 155 S 3.9452 8.1957 115.3529 61.6228 62.8660 175.9788 156 Y 4.0532 7.8941 118.4422 59.9105 37.5236 177.6154 157 D 4.4124 7.9924 119.8171 57.0868 40.9180 178.2818 158 R 4.0320 7.6093 118.0819 59.2331 30.4861 178.0783 159 I 3.9660 7.7896 119.4290 63.8105 37.4151 178.1051 160 L 4.0781 7.9172 119.8548 57.5039 41.3092 177.7103 161 P 4.4509 0.0000 0.0000 64.2631 31.3895 177.5528 162 K 4.3751 7.7299 116.2830 55.5796 32.6770 176.6681 163 T 4.3046 7.1569 110.1867 60.8789 69.8609 174.0077 164 L 4.6070 8.3247 122.7366 54.0860 44.3504 177.9710 165 G 3.7822 8.6741 112.1458 44.7474 0.0000 171.6861 166 E 4.2553 8.5062 120.2761 55.7724 30.4185 177.6063 167 L 4.3702 8.4551 124.9367 55.4551 42.6576 176.7582 168 I 4.1103 7.5970 116.0949 60.8153 37.6353 175.1378 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 -11 H 8.30 4.72 0.00 3.27 3.39 0.00 5.87 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 -10 H 8.52 3.96 0.00 3.40 3.30 0.00 5.92 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 -9 H 8.35 4.32 0.00 3.25 3.31 0.00 5.71 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 -8 H 8.18 4.04 0.00 3.16 3.40 0.00 5.67 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 -7 H 8.35 4.19 0.00 3.28 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 E 8.60 4.12 0.00 2.02 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 0.00 2.71 2.39 0.00 -5 N 8.72 4.77 0.00 2.93 2.93 0.00 0.00 6.75 6.65 0.00 0.00 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 L 7.83 3.95 0.00 1.91 1.72 0.74 0.77 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 -3 Y 7.84 4.03 0.00 2.87 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 -2 F 8.27 3.91 0.00 2.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 8.50 4.31 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.12 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 0 G 7.95 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 0.00 0.00 0.00 -9 Y 8.05 4.14 0.00 2.99 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 -8 P 0.00 3.73 0.00 2.16 2.18 0.00 2.20 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 2.09 2.07 0.00 -7 D 8.27 4.10 0.00 2.71 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 -6 L 8.34 4.11 0.00 1.58 1.85 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 -5 V 8.35 4.15 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 1.33 0.00 0.00 0.93 0.00 0.00 -4 H 8.09 4.34 0.00 3.58 3.26 0.00 8.59 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 L 7.88 3.82 0.00 1.46 1.74 0.92 0.58 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 -2 G 8.30 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 0.00 0.00 0.00 -1 G 8.51 3.93 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 0.00 0.00 0.00 0 A 7.86 4.15 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 12 D 8.16 4.55 0.00 2.89 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 13 K 8.14 3.97 0.00 1.79 1.54 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.45 7.81 14 Y 7.55 5.01 0.00 3.00 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 15 F 8.29 4.09 0.00 3.20 3.09 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 16 E 8.25 3.85 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 2.62 2.43 0.00 17 E 8.12 4.00 0.00 2.29 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 2.52 2.52 0.00 18 I 7.90 3.66 1.84 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 1.37 0.69 0.79 0.00 0.00 19 L 7.72 3.59 0.00 0.99 1.50 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.74 3.89 0.00 1.97 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 2.30 2.33 0.00 21 I 7.66 3.80 1.91 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 1.63 0.66 0.85 0.00 0.00 22 V 7.75 3.49 0.67 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 0.40 0.00 0.00 0.24 0.00 0.00 23 N 7.76 4.80 0.00 2.87 2.89 0.00 0.00 7.05 6.93 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 24 K 7.67 4.16 0.00 1.78 1.89 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.79 1.52 7.81 25 I 7.55 4.01 2.27 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.99 1.20 0.00 0.00 26 K 8.79 4.71 0.00 1.97 1.90 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.44 7.81 27 L 8.67 3.68 0.00 1.71 1.35 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.55 4.54 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 29 G 8.30 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 30 D 8.11 4.81 0.00 2.74 2.79 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 31 F 9.72 4.63 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 32 S 9.30 4.60 0.00 4.21 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 33 N 8.85 4.62 0.00 2.88 3.13 0.00 0.00 6.84 7.66 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 34 E 8.28 4.08 0.00 2.12 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 2.51 0.00 35 E 8.51 4.12 0.00 2.45 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 0.00 2.38 2.38 0.00 36 V 8.43 3.67 2.15 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0.00 2.44 2.62 0.00 54 L 8.69 4.21 0.00 1.57 1.43 0.72 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.85 5.01 0.00 1.51 1.46 0.83 0.60 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 56 T 8.34 4.86 4.49 0.00 0.00 0.00 0.00 0.00 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 57 E 8.82 4.11 0.00 1.90 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 0.00 2.33 2.28 0.00 58 G 9.07 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 0.00 0.00 0.00 59 D 7.86 4.59 0.00 2.97 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.69 0.00 2.05 1.97 0.00 3.74 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 2.05 2.08 0.00 61 G 7.85 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 62 D 8.43 4.94 0.00 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0.82 0.90 0.00 0.00 79 P 0.00 4.28 0.00 2.17 2.01 0.00 3.68 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 2.12 2.11 0.00 80 N 9.01 4.66 0.00 2.92 2.85 0.00 0.00 6.58 7.44 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 81 K 7.68 4.47 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.34 7.81 82 G 8.15 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 8.05 4.40 1.86 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 1.29 0.84 0.90 0.00 0.00 84 Q 8.89 4.59 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 85 T 8.50 4.70 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 1.28 0.00 0.00 86 I 8.65 4.21 1.77 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 1.20 0.52 0.85 0.00 0.00 87 A 7.54 4.63 1.17 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115 P 0.00 4.54 0.00 1.95 2.03 0.00 3.64 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 2.05 2.15 0.00 116 T 9.02 4.90 4.33 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 1.36 0.00 0.00 117 D 8.77 5.36 0.00 2.42 2.24 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 0.00 118 F 8.31 5.15 0.00 3.14 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 0.00 119 A 8.94 4.98 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 0.00 120 V 8.41 4.86 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 0.96 0.00 0.00 0.85 0.00 0.00 121 L 8.97 4.91 0.00 1.83 1.55 1.00 0.64 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 0.00 122 S 8.75 5.10 0.00 4.14 4.33 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 0.00 123 R 8.82 3.67 0.00 1.85 1.70 0.00 2.93 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.39 0.00 124 D 7.88 4.22 0.00 2.65 2.69 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 0.00 125 A 7.94 4.09 1.45 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 0.00 0.00 126 L 8.06 3.84 0.00 1.75 1.77 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.20 4.45 0.00 3.25 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 0.00 128 Q 8.42 4.14 0.00 2.67 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 129 L 8.09 3.94 0.00 0.84 1.69 0.78 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 0.00 130 L 8.20 4.14 0.00 1.82 1.75 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.21 4.20 1.38 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 0.00 132 N 8.18 4.62 0.00 2.96 3.01 0.00 0.00 7.06 8.60 0.00 0.00 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 P 0.00 4.46 0.00 2.23 2.44 0.00 3.68 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 1.96 1.99 0.00 135 K 7.96 3.93 0.00 1.77 1.84 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.46 7.81 136 L 7.95 3.93 0.00 1.72 1.66 1.12 1.20 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 0.00 137 G 8.14 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.17 4.32 0.00 2.82 2.77 0.00 0.00 7.08 7.51 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 0.00 139 K 7.72 3.72 0.00 1.41 0.74 0.00 1.07 0.00 0.00 0.75 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.08 1.29 7.81 140 V 7.96 3.85 2.29 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 1.07 0.00 0.00 1.18 0.00 0.00 141 L 8.23 4.02 0.00 1.65 1.65 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.92 3.51 1.79 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.70 0.54 0.00 0.00 143 R 8.27 3.97 0.00 2.19 2.24 0.00 3.20 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 144 L 8.12 4.05 0.00 1.89 1.70 0.93 0.43 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 0.00 145 L 8.24 3.98 0.00 1.78 1.69 0.81 0.92 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 0.00 146 Q 8.16 4.10 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 147 L 8.07 3.97 0.00 1.84 1.91 0.93 0.56 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 0.00 148 L 8.11 4.09 0.00 1.91 1.75 0.93 0.66 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 0.00 149 T 8.25 3.92 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 1.27 0.00 0.00 150 A 8.12 4.09 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 0.00 151 R 8.12 3.84 0.00 2.12 2.18 0.00 3.12 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 1.63 1.62 0.00 152 F 8.75 4.07 0.00 3.31 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 0.00 153 R 8.53 4.10 0.00 2.10 2.04 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 154 E 8.47 3.92 0.00 2.09 1.93 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 2.29 2.48 0.00 155 S 8.20 3.95 0.00 3.57 3.41 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 0.00 156 Y 7.89 4.05 0.00 2.99 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 0.00 157 D 7.99 4.41 0.00 2.83 2.74 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 0.00 158 R 7.61 4.03 0.00 1.89 2.05 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 159 I 7.79 3.97 1.66 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.45 0.88 0.00 0.00 160 L 7.92 4.08 0.00 1.85 1.77 0.97 1.16 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 0.00 161 P 0.00 4.45 0.00 2.02 2.11 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 162 K 7.73 4.38 0.00 1.85 1.82 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 163 T 7.16 4.30 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 1.35 0.00 0.00 164 L 8.32 4.61 0.00 1.60 1.60 0.92 0.94 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 0.00 165 G 8.67 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 0.00 166 E 8.51 4.26 0.00 1.92 1.85 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 2.28 2.39 0.00 167 L 8.46 4.37 0.00 1.67 1.70 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.60 4.11 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 1.27 0.67 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.