NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3607 8.2393 119.7193 55.0263 31.5584 175.0216 3 P 4.0124 0.0000 0.0000 62.4595 31.6760 174.3556 4 I 2.7380 8.4741 124.9419 59.0140 39.0404 175.3132 5 P 4.3386 0.0000 0.0000 62.1378 31.8991 175.4826 6 E 4.1906 8.5903 123.2996 57.6498 29.9707 177.2189 7 G 3.9832 8.9608 114.4129 45.1141 0.0000 172.8774 8 Y 4.2140 8.0359 122.1777 58.2101 39.6109 174.9396 9 E 5.3160 8.1516 124.7021 54.5271 32.8834 175.1018 10 A 4.7884 8.7965 123.0604 50.2685 22.8487 175.2570 11 V 5.0322 8.4599 119.1592 61.0872 35.3911 174.4593 12 F 5.0239 9.2459 127.1723 56.5055 42.4259 173.3105 13 E 4.8652 7.8585 124.3150 55.0733 32.9938 174.7721 14 T 4.2692 8.1245 116.1036 61.4032 71.6926 171.5994 15 V 4.5434 7.9096 121.7191 60.4733 34.0819 175.4485 16 V 3.6596 8.3228 128.1243 63.4621 32.2177 174.8849 17 T 4.7254 8.1337 117.3462 59.0644 71.4462 173.5146 18 P 4.2648 0.0000 0.0000 65.8301 31.6700 178.4314 19 E 4.1216 7.1235 119.5705 56.0063 28.0567 176.1572 *21 T 4.7542 7.4807 107.3748 61.2052 70.8873 174.3084 22 V 3.6007 7.9318 121.3617 63.4364 32.2668 174.9768 23 R 4.7957 8.9423 129.3813 55.0931 32.9133 174.1567 24 F 5.1478 8.7995 124.7718 55.4249 42.3701 175.3513 25 E 4.3204 8.7701 120.0515 57.7569 30.1142 176.5080 26 E 4.2853 9.0060 126.1352 57.3107 27.8497 176.2515 27 L 4.1106 7.8680 116.2106 55.5396 42.6916 178.3401 28 G 3.8457 8.5065 106.5532 43.8023 0.0000 170.2937 29 P 4.5963 0.0000 0.0000 63.1749 31.9603 174.8124 30 V 4.2853 8.6963 121.0988 64.2603 33.4275 175.2839 31 H 5.0939 7.8168 116.2363 52.6388 32.9200 171.9767 32 P 4.9884 0.0000 0.0000 63.2620 30.7220 176.0088 33 V 4.5850 7.5447 111.2874 60.2458 36.9788 174.7169 34 Y 4.5002 8.6300 122.9356 58.5282 38.8871 176.3237 35 A 3.9928 8.2974 128.1685 51.8077 19.3973 178.2846 36 T 3.5619 8.4751 117.7858 66.7372 68.9827 175.8625 37 Y 4.2233 7.5732 118.8441 59.4779 38.4500 176.9676 38 W 3.7260 6.9419 120.3887 56.9742 28.9721 178.4686 *40 V 3.9178 7.9344 119.3835 62.8536 32.8855 176.2051 41 K 3.9506 7.8361 120.5935 59.9325 32.0964 179.0956 42 H 4.6263 8.0692 116.0162 56.0196 28.3013 177.4401 *44 E 4.2204 8.3331 120.6649 56.4468 31.8109 178.3024 45 L 3.8301 8.0216 119.7319 58.1313 41.8520 178.9145 46 A 4.2148 8.1306 119.7405 55.1517 18.7053 179.4815 47 G 3.7535 8.0901 103.8156 48.0239 0.0000 175.7749 48 R 4.3092 8.1761 122.4040 58.5028 29.8960 178.5199 49 K 4.2512 7.8036 116.7752 58.6104 32.0294 178.9200 50 I 4.3931 7.5557 120.3605 64.1526 37.4314 177.6897 51 I 4.1737 7.8038 113.1175 63.1128 38.0191 177.6837 52 L 3.9840 7.8901 120.9356 57.6235 41.3561 177.5403 53 P 4.3122 0.0000 0.0000 63.9895 31.3564 176.7662 54 F 4.6621 7.8048 114.8144 57.0418 40.6438 176.0658 55 L 4.2472 7.4214 120.4254 54.8373 41.9915 176.6978 56 E 4.4578 9.7863 123.4291 54.4413 30.9973 175.2320 57 E 3.8612 8.5484 120.7093 58.3181 29.9830 177.7358 58 G 3.9809 9.0985 113.8392 45.2045 0.0000 172.6584 59 E 4.8690 7.8170 118.6841 55.7327 31.0049 175.2391 60 E 4.7439 9.2700 121.9282 54.8043 33.9115 173.9433 61 G 4.5976 9.2297 110.8728 44.2345 0.0000 172.4071 62 I 4.7856 8.6538 116.7483 58.4072 41.0180 174.9892 63 G 3.8909 8.8129 112.5199 46.6870 0.0000 172.8691 64 S 4.8089 9.0551 118.9452 59.1247 65.1159 173.5309 65 Y 4.9308 7.6705 118.6324 56.3114 42.1916 174.1310 66 V 4.7394 7.1177 117.0249 59.8740 36.1933 174.1058 67 E 4.6047 8.6768 123.1589 54.9117 33.4578 173.7731 68 A 5.0638 8.3980 126.7440 50.7818 22.7843 175.0981 69 R 4.4585 9.1404 123.5448 54.7048 32.5371 174.3451 70 H 4.7232 8.9192 127.1350 55.7443 29.5578 174.1816 71 L 4.5007 8.8517 127.0225 56.3211 42.6848 176.7902 72 A 4.6663 7.6893 118.4799 50.8390 22.4493 174.5124 73 S 4.9494 8.3560 114.8297 57.2024 65.6557 174.0664 74 A 4.6573 8.2417 121.7397 50.3957 21.7587 175.5401 75 L 4.6420 8.5310 122.4906 52.8348 43.3607 175.2535 76 P 4.1697 0.0000 0.0000 64.6498 32.0172 177.0967 77 G 3.7723 8.9222 111.6602 45.8423 0.0000 173.5345 *79 R 4.2331 7.5787 115.9898 55.8443 32.5304 176.2414 80 V 4.7729 8.6341 121.1740 61.1216 35.4703 174.0488 81 R 5.0085 9.0204 126.8181 54.5300 33.2116 173.8327 82 V 4.8099 9.1669 126.7898 61.1861 34.1536 174.1626 83 V 4.8679 9.3067 128.1533 61.1803 33.8755 173.8687 84 A 5.3495 9.0561 130.1524 50.2661 21.7904 175.1965 85 R 5.0924 9.1093 121.7606 54.4419 33.6865 173.8677 86 H 4.5689 9.6050 127.4692 56.9392 30.3488 174.8630 87 E 4.1882 9.2485 128.3533 57.4877 30.1395 175.9624 88 K 4.3179 7.3302 115.6191 56.5300 35.7232 173.3593 89 T 5.2419 8.6145 117.0072 61.9385 71.5990 173.4677 90 E 4.5943 9.4046 126.6293 55.2421 32.6235 176.6010 91 G 3.8391 8.4188 115.3275 47.1002 0.0000 173.2819 92 N 4.8252 8.8735 121.6134 51.9408 37.4742 172.9509 93 R 4.9100 8.1768 120.2731 55.1319 32.5660 174.5730 94 V 4.5888 8.8559 127.2348 61.6685 33.5030 173.7786 95 Y 5.2298 9.4929 126.1386 56.4736 40.0059 174.7186 96 A 5.2826 9.0131 124.8339 50.3636 23.1685 174.9757 97 R 4.9898 9.0578 119.8490 55.0477 32.8138 176.0788 98 V 5.2173 8.7256 114.8496 59.7617 36.3288 174.4385 99 E 5.1377 9.2189 120.6887 54.7255 33.3047 173.9980 100 A 5.1886 8.8000 123.2480 50.4646 22.8472 174.5468 101 Y 5.2731 9.0313 117.7090 56.2649 42.6690 175.0730 102 N 5.1349 8.6960 120.0596 51.1903 39.8098 175.3363 103 E 3.8861 8.4029 119.0237 59.4550 29.4931 177.7761 104 L 4.1168 7.9397 115.7554 55.4957 41.9647 177.5997 105 G 3.9989 8.4558 108.0180 44.9515 0.0000 173.8012 106 D 4.4309 8.2153 120.4513 53.9485 41.3468 175.6618 107 L 4.3354 8.4594 125.3306 54.6584 41.7259 176.2242 108 I 4.2793 8.4534 121.2849 62.2990 39.2309 175.7339 109 G 4.6972 7.3904 107.2635 44.7183 0.0000 172.8252 110 V 4.9531 7.8496 114.0872 59.9426 36.3795 175.4360 111 G 4.3097 8.8662 108.7311 47.7190 0.0000 172.1262 112 R 5.4384 8.2421 116.9723 55.4945 35.0469 174.2823 113 T 5.3120 9.1643 110.7104 60.4059 73.0577 172.4197 114 E 5.0977 9.2285 120.9537 54.7880 33.5931 174.8714 115 Q 4.9746 8.8461 122.0275 54.0507 33.1914 174.2905 116 V 4.5260 8.6757 122.6067 61.2884 34.0367 174.2727 117 I 4.8233 8.7767 129.1716 60.1028 38.2493 175.1389 118 L 4.8035 8.8659 125.8815 52.3044 46.9147 174.0988 119 P 4.6992 0.0000 0.0000 62.3672 32.1385 178.0101 120 K 3.8796 9.3289 122.1244 59.6564 31.8955 179.6338 121 A 3.9568 7.9019 120.5816 54.9208 18.3622 179.4411 122 K 3.8322 7.8992 118.2217 59.4527 32.2653 179.2632 123 V 3.1923 7.5201 118.0085 65.9877 31.4403 177.6880 124 E 3.8994 8.1639 118.0822 59.3250 29.1706 179.2602 125 A 3.9739 8.0382 120.8348 54.9687 18.4945 179.7313 126 L 3.8925 7.8058 117.5186 58.0925 41.7009 179.8228 127 F 4.6192 7.8083 117.7374 60.4551 38.7667 177.8468 128 R 3.9582 8.3879 118.7800 59.4200 29.9189 178.5047 129 R 3.9164 8.3164 118.8230 59.3457 30.0369 178.2280 130 L 3.9950 7.9215 119.7087 58.0920 42.0299 178.9256 131 K 4.2466 8.2591 119.6708 59.5851 32.1346 178.7120 132 E 4.3212 8.4320 120.4199 58.9417 29.1182 179.5464 133 R 4.0233 7.9331 117.5398 58.7851 30.4190 178.5912 134 W 4.5446 8.3616 128.3140 60.7332 30.5041 177.9494 135 E 3.8247 8.6668 118.5485 59.2282 28.6465 179.0516 136 A 4.0922 7.8237 119.6828 54.5279 18.4718 178.8372 137 E 4.1787 8.0545 115.9075 57.9154 29.6660 177.1220 138 R 4.1886 7.9733 123.2903 56.1984 30.8188 175.1682 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 8.24 4.36 0.00 2.06 2.09 0.00 3.23 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 3 P 0.00 4.01 0.00 2.20 2.04 0.00 3.80 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 1.99 2.05 0.00 4 I 8.47 2.74 1.11 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.08 0.24 0.00 0.00 5 P 0.00 4.34 0.00 2.34 2.05 0.00 3.23 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 6 E 8.59 4.19 0.00 1.93 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 2.29 2.42 0.00 7 G 8.96 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 8 Y 8.04 4.21 0.00 3.28 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 9 E 8.15 5.32 0.00 1.71 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 2.20 2.42 0.00 10 A 8.80 4.79 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 11 V 8.46 5.03 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 0.89 0.00 0.00 0.95 0.00 0.00 12 F 9.25 5.02 0.00 3.17 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 13 E 7.86 4.87 0.00 1.60 1.59 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 2.09 2.14 0.00 14 T 8.12 4.27 3.85 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 1.16 0.00 0.00 15 V 7.91 4.54 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 0.78 0.00 0.00 0.85 0.00 0.00 16 V 8.32 3.66 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 0.88 0.00 0.00 0.50 0.00 0.00 17 T 8.13 4.73 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 1.16 0.00 0.00 18 P 0.00 4.26 0.00 2.01 2.13 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 19 E 7.12 4.12 0.00 1.74 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 2.36 2.29 0.00 *21 T 7.48 4.75 4.42 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 1.20 0.00 0.00 22 V 7.93 3.60 2.28 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 0.84 0.00 0.00 0.97 0.00 0.00 23 R 8.94 4.80 0.00 1.76 1.76 0.00 3.31 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 24 F 8.80 5.15 0.00 3.05 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 25 E 8.77 4.32 0.00 1.96 1.90 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 2.32 2.41 0.00 26 E 9.01 4.29 0.00 2.15 2.15 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 2.19 2.32 0.00 27 L 7.87 4.11 0.00 1.82 1.82 0.87 0.93 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 28 G 8.51 3.85 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 0.00 0.00 0.00 29 P 0.00 4.60 0.00 2.06 2.00 0.00 3.64 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 2.03 2.08 0.00 30 V 8.70 4.29 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 0.64 0.00 0.00 1.18 0.00 0.00 31 H 7.82 5.09 0.00 3.07 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.99 0.00 2.07 2.13 0.00 3.77 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 2.00 2.01 0.00 33 V 7.54 4.58 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 0.74 0.00 0.00 0.92 0.00 0.00 34 Y 8.63 4.50 0.00 2.90 2.94 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 35 A 8.30 3.99 0.43 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 0.00 0.00 0.00 36 T 8.48 3.56 4.31 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 1.19 0.00 0.00 37 Y 7.57 4.22 0.00 2.98 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 38 W 6.94 3.73 0.00 2.99 2.97 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 *40 V 7.93 3.92 2.18 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 0.68 0.00 0.00 0.88 0.00 0.00 41 K 7.84 3.95 0.00 1.57 1.75 0.00 1.14 0.00 0.00 1.33 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.25 7.81 42 H 8.07 4.63 0.00 3.51 3.59 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 E 8.33 4.22 0.00 2.27 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 2.25 0.00 45 L 8.02 3.83 0.00 1.63 1.50 0.81 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.13 4.21 1.47 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 47 G 8.09 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.18 4.31 0.00 2.00 2.09 0.00 3.15 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 49 K 7.80 4.25 0.00 2.08 1.97 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.77 7.81 50 I 7.56 4.39 2.23 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 1.86 0.81 1.08 0.00 0.00 51 I 7.80 4.17 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 1.85 0.69 0.94 0.00 0.00 52 L 7.89 3.98 0.00 1.79 1.80 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.31 0.00 1.15 1.77 0.00 3.87 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 2.10 2.15 0.00 54 F 7.80 4.66 0.00 3.05 3.19 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 0.00 0.00 0.00 55 L 7.42 4.25 0.00 1.71 1.63 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.79 4.46 0.00 2.09 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 2.29 2.25 0.00 57 E 8.55 3.86 0.00 1.91 1.91 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 2.31 2.35 0.00 58 G 9.10 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 59 E 7.82 4.87 0.00 1.96 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 2.30 2.37 0.00 60 E 9.27 4.74 0.00 2.00 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 0.00 2.19 2.30 0.00 61 G 9.23 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.65 4.79 1.91 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 1.34 1.11 0.92 0.00 0.00 63 G 8.81 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 64 S 9.06 4.81 0.00 3.83 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 65 Y 7.67 4.93 0.00 3.03 2.67 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 66 V 7.12 4.74 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 0.62 0.00 0.00 0.73 0.00 0.00 67 E 8.68 4.60 0.00 1.87 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 2.23 2.31 0.00 68 A 8.40 5.06 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 69 R 9.14 4.46 0.00 1.86 1.79 0.00 3.10 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 70 H 8.92 4.72 0.00 3.19 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.85 4.50 0.00 1.72 1.71 0.92 0.97 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 72 A 7.69 4.67 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 73 S 8.36 4.95 0.00 3.75 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.24 4.66 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.53 4.64 0.00 1.51 1.58 0.91 1.08 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 76 P 0.00 4.17 0.00 1.99 1.94 0.00 3.62 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 2.00 2.05 0.00 77 G 8.92 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 *79 R 7.58 4.23 0.00 1.74 1.81 0.00 3.00 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 80 V 8.63 4.77 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 0.89 0.00 0.00 0.49 0.00 0.00 81 R 9.02 5.01 0.00 1.88 1.81 0.00 3.09 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 82 V 9.17 4.81 2.33 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 1.08 0.00 0.00 1.16 0.00 0.00 83 V 9.31 4.87 2.25 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 0.97 0.00 0.00 1.09 0.00 0.00 84 A 9.06 5.35 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 85 R 9.11 5.09 0.00 1.85 1.79 0.00 3.13 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 86 H 9.61 4.57 0.00 3.32 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.25 4.19 0.00 2.03 2.15 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 2.21 2.22 0.00 88 K 7.33 4.32 0.00 1.73 1.73 0.00 1.25 0.00 0.00 1.60 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.17 7.81 89 T 8.61 5.24 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 1.29 0.00 0.00 90 E 9.40 4.59 0.00 2.15 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 2.17 2.13 0.00 91 G 8.42 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.87 4.83 0.00 3.04 3.01 0.00 0.00 5.41 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 93 R 8.18 4.91 0.00 1.87 2.03 0.00 3.06 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.25 0.00 94 V 8.86 4.59 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 0.96 0.00 0.00 0.92 0.00 0.00 95 Y 9.49 5.23 0.00 3.03 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 96 A 9.01 5.28 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 97 R 9.06 4.99 0.00 1.77 1.89 0.00 3.28 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 98 V 8.73 5.22 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 0.78 0.00 0.00 1.01 0.00 0.00 99 E 9.22 5.14 0.00 1.70 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 2.36 2.40 0.00 100 A 8.80 5.19 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 0.00 101 Y 9.03 5.27 0.00 2.92 2.88 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 0.00 0.00 0.00 102 N 8.70 5.13 0.00 2.83 2.96 0.00 0.00 6.73 7.74 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 0.00 103 E 8.40 3.89 0.00 2.14 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 0.00 2.30 2.27 0.00 104 L 7.94 4.12 0.00 1.82 1.70 0.92 0.95 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 0.00 105 G 8.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.43 0.00 2.85 2.64 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 0.00 107 L 8.46 4.34 0.00 1.66 1.63 0.57 1.02 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 0.00 108 I 8.45 4.28 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.56 1.04 0.00 0.00 109 G 7.39 4.70 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 0.00 0.00 0.00 110 V 7.85 4.95 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 0.70 0.00 0.00 0.93 0.00 0.00 111 G 8.87 4.31 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 0.00 112 R 8.24 5.44 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 113 T 9.16 5.31 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 1.22 0.00 0.00 114 E 9.23 5.10 0.00 1.91 1.58 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 1.47 2.19 0.00 115 Q 8.85 4.97 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 116 V 8.68 4.53 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 1.02 0.00 0.00 0.89 0.00 0.00 117 I 8.78 4.82 1.86 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 1.37 0.98 0.94 0.00 0.00 118 L 8.87 4.80 0.00 1.47 1.44 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.70 0.00 2.14 1.94 0.00 3.57 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 2.09 2.09 0.00 120 K 9.33 3.88 0.00 1.73 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.72 7.81 121 A 7.90 3.96 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 0.00 122 K 7.90 3.83 0.00 1.85 1.94 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 123 V 7.52 3.19 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 0.45 0.00 0.00 0.80 0.00 0.00 124 E 8.16 3.90 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 2.34 2.65 0.00 125 A 8.04 3.97 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 0.00 126 L 7.81 3.89 0.00 1.55 1.65 0.80 0.82 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 0.00 127 F 7.81 4.62 0.00 3.07 2.97 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 0.00 128 R 8.39 3.96 0.00 2.06 2.11 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 129 R 8.32 3.92 0.00 1.97 2.10 0.00 3.22 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 130 L 7.92 4.00 0.00 1.90 1.93 0.89 0.21 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 0.00 131 K 8.26 4.25 0.00 2.12 2.01 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.75 7.81 132 E 8.43 4.32 0.00 2.25 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 2.51 0.00 133 R 7.93 4.02 0.00 2.05 2.05 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 134 W 8.36 4.54 0.00 3.45 3.36 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 0.00 135 E 8.67 3.82 0.00 2.18 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 2.21 2.62 0.00 136 A 7.82 4.09 1.43 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 0.00 0.00 0.00 137 E 8.05 4.18 0.00 2.17 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 2.72 2.65 0.00 138 R 7.97 4.19 0.00 1.74 1.70 0.00 3.07 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.