NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 R 4.3715 8.2549 119.0724 56.3622 31.6513 177.2253 10 H 4.8018 8.0944 113.6531 54.7833 29.2707 172.8557 11 L 4.7829 7.5918 119.1475 52.3502 44.2738 174.4354 12 P 4.5931 0.0000 0.0000 62.8831 32.5417 174.6508 13 Y 4.5158 8.4168 123.3526 55.8283 41.0542 174.0530 14 F 4.8276 7.7091 125.0447 55.5650 41.2183 174.5290 15 C 4.8007 8.7418 116.9342 57.1632 33.3572 173.0327 16 R 5.2135 8.2113 117.7704 54.9692 33.7839 174.6309 17 G 4.0147 8.7675 107.7267 45.0428 0.0000 172.5262 18 Q 4.7818 8.6798 120.2317 55.7940 30.3481 175.7192 19 V 4.3382 8.8393 124.1111 62.7875 32.5057 175.3159 20 V 5.0191 8.5844 120.7522 59.3877 35.1909 176.0498 21 R 4.2354 8.6687 121.3458 56.1709 30.8312 176.7315 22 G 4.0635 7.9379 109.0075 43.7618 0.0000 171.1361 23 F 4.6839 8.1128 117.4881 55.7850 42.8377 175.4960 24 G 3.8487 8.4939 108.6246 46.1731 0.0000 172.2749 25 R 4.4281 8.4361 120.0883 54.4348 31.6623 177.5789 26 G 3.7620 8.3699 113.9119 45.5200 0.0000 174.2090 27 S 4.3605 8.5385 115.7369 58.9760 63.2100 176.1081 28 K 3.7837 8.1909 123.3398 60.0700 31.4862 178.3852 29 Q 3.9819 7.9788 116.8013 58.5254 28.4366 177.7201 30 L 4.4847 7.8544 118.7124 53.8477 42.1589 177.2035 31 G 3.9430 8.1604 107.4500 45.8485 0.0000 174.6871 32 I 4.4602 7.1478 118.9547 58.0251 37.4717 172.9621 33 P 4.5261 0.0000 0.0000 62.9777 32.9990 176.5921 34 T 4.7493 8.2731 111.6479 59.9320 71.1117 172.9660 35 A 4.2738 9.1531 129.2984 51.1186 20.3779 175.8113 36 N 5.0594 8.5672 118.4750 51.7660 41.5245 174.4016 37 F 5.7619 8.3413 118.7256 54.1674 41.9347 174.0505 38 P 4.5968 0.0000 0.0000 62.5352 31.9068 177.7534 39 E 4.2072 8.9996 119.6166 59.5310 29.0652 179.1503 40 Q 4.0750 8.2378 117.7544 59.4608 28.5936 178.9037 41 V 3.6579 7.8879 119.8359 65.7418 31.6478 178.1843 42 V 3.6410 7.8595 117.5230 66.1842 31.2562 177.4101 43 D 4.5395 8.6130 117.3671 56.3898 40.6933 176.7680 44 N 4.7733 7.6167 115.1439 52.6382 39.1691 175.3268 45 L 3.6515 7.5453 119.5575 53.9404 42.4829 175.5046 46 P 4.1610 0.0000 0.0000 62.4214 31.8244 177.2213 47 A 4.0144 8.6422 124.9217 55.2933 18.2974 178.5968 48 D 4.5000 7.8745 113.3630 55.3634 39.9653 177.5039 49 I 4.0115 7.1150 121.7791 59.9950 35.0409 175.5815 50 S 4.2989 7.9711 119.3817 57.5961 63.7991 175.0694 51 T 3.9776 7.9253 110.9859 61.6658 69.3333 174.8929 52 G 3.8121 7.6392 109.1028 44.4778 0.0000 171.2679 53 I 4.9200 7.8094 121.4411 59.7894 39.5398 175.0410 54 Y 5.1822 9.3880 124.0637 56.2530 42.2995 173.7165 55 Y 5.1319 8.5759 117.7718 55.2860 42.0748 175.1402 56 G 3.9857 7.5010 106.1384 46.0583 0.0000 171.6884 57 W 5.6315 8.4872 120.8927 55.1064 33.3560 174.7454 58 A 5.7583 9.5226 124.0363 50.7892 22.7067 175.2441 59 S 5.0859 9.5364 114.0333 56.6371 67.4573 172.8297 60 V 4.5289 8.2929 120.2674 60.8739 33.6042 175.3681 61 G 3.9869 9.1934 118.4203 47.2707 0.0000 173.7591 62 S 5.0256 8.2199 117.8192 56.9013 62.9007 174.0279 63 G 3.8438 7.9837 111.2303 45.3760 0.0000 173.1994 64 D 4.5048 8.1557 118.8990 53.9993 41.7684 176.3973 65 V 4.0552 7.8182 120.3605 62.4542 32.4721 174.7973 66 H 5.2980 9.3329 124.0611 53.5808 33.2768 173.2373 67 K 4.3329 8.7175 119.4052 57.1607 33.3964 175.8341 68 M 5.1729 8.5151 118.6481 54.5666 35.1025 173.7376 69 V 5.0304 8.7597 112.4227 59.5957 35.8738 174.9752 70 V 4.8107 8.8157 123.0837 61.2119 34.9690 173.9785 71 S 5.1738 9.0745 122.7546 56.8398 64.3694 172.4397 72 I 4.8165 9.0804 128.9829 59.7864 39.4016 175.2058 73 G 4.2039 8.6506 113.5000 44.3625 0.0000 170.5444 74 W 5.0925 8.5435 119.1446 55.5014 30.4362 176.2402 75 N 4.4947 9.2600 124.5534 52.2100 38.0223 173.2894 76 P 4.1506 0.0000 0.0000 65.0367 31.5006 176.9688 77 Y 4.7043 8.0458 114.1339 58.1382 38.8392 175.1343 78 Y 5.1051 7.5222 117.0423 55.6662 40.1288 175.4496 79 K 4.3304 8.5188 122.0887 57.1748 34.5020 178.5033 80 N 4.0378 8.5447 115.7751 54.8921 36.5047 178.1637 81 T 4.7007 8.2475 112.8045 63.1299 69.9966 172.6273 82 K 4.7849 8.1227 123.8555 55.0308 35.1041 176.1516 83 K 4.9572 8.5959 122.0287 55.3395 34.4067 175.6536 84 S 4.9452 8.8576 115.6368 57.0436 66.5625 172.7652 85 M 5.4647 8.4695 119.8313 54.1906 35.2326 173.7568 86 E 4.9369 9.1367 122.7162 55.0897 33.9512 174.0360 87 T 4.9712 8.7426 118.4131 62.0806 72.0393 172.1989 88 H 5.3142 9.0648 126.4969 53.7944 31.9049 173.1634 89 I 4.5395 8.2106 126.6644 60.2474 38.3026 176.9019 90 M 4.4632 8.6044 128.8105 53.4927 29.4111 175.1701 91 H 4.4642 7.5926 116.8022 55.1300 33.3867 172.9402 92 T 4.2024 7.9685 123.5589 62.8672 68.5342 174.2484 93 F 4.6982 8.6805 125.4578 56.1247 40.5830 176.4112 94 K 4.3173 8.7213 122.6518 57.8638 32.5366 176.4569 95 E 4.7897 7.8887 114.5496 54.2978 32.6001 174.2951 96 D 4.3668 8.4773 119.4714 54.4474 41.7775 175.8393 97 F 5.0441 6.9477 113.2099 56.3980 38.2672 174.5703 98 Y 4.2659 7.8549 118.4613 60.6915 38.2568 177.2588 99 G 4.1031 9.3664 113.2028 45.5349 0.0000 173.6567 100 E 4.3847 7.9159 118.9834 56.1369 31.4203 175.8332 101 I 4.7119 8.2337 122.0358 60.6136 38.9743 174.5947 102 L 4.9633 9.2210 130.1530 53.9181 43.9232 174.6203 103 N 5.6293 9.5451 124.5153 51.9497 40.7579 174.3735 104 V 5.3755 9.5677 117.0031 59.5357 36.0597 174.6236 105 A 4.6049 9.5889 126.3458 50.1750 21.5582 175.3165 106 I 4.2592 8.5344 124.8414 61.2099 37.7757 177.1070 107 V 4.0741 8.5632 121.0531 61.7304 33.8481 176.0546 108 G 3.6293 6.8413 105.4905 44.9332 0.0000 170.9121 109 Y 4.5555 8.4398 120.8631 55.9671 40.8927 175.6534 110 L 4.3032 8.2814 127.2635 55.8326 42.7269 176.8106 111 R 4.3640 6.1211 112.2957 54.5493 32.1069 172.0387 112 P 4.9215 0.0000 0.0000 61.7178 32.0826 176.0473 113 E 4.1822 8.4758 118.4462 56.6857 29.9501 176.7553 114 K 4.5111 8.0566 119.1649 54.6274 36.1419 175.5402 115 N 4.6729 8.2039 118.3800 52.1136 39.6726 174.8526 116 F 4.9550 8.4961 121.3371 55.6905 41.6523 175.3226 117 D 4.6779 8.7902 122.4849 54.5870 40.2714 176.6347 118 S 4.6757 7.5522 114.0930 56.1704 67.0244 174.8291 119 L 3.9666 8.4774 122.7570 57.7691 41.3568 179.3239 120 E 3.8809 8.1465 119.1584 59.3913 29.5848 178.9924 121 S 4.0849 8.0769 114.2535 61.1491 63.0436 176.1645 122 L 2.5973 7.6444 123.8862 57.5965 41.7438 179.0964 123 I 3.5578 7.9517 120.1516 64.3080 36.9236 178.3648 124 S 3.9697 7.9919 113.8179 61.1852 62.0918 176.1035 125 A 3.9003 7.8213 123.5147 55.1623 18.0583 179.7032 126 I 3.7209 7.7109 118.4440 64.6494 37.1593 178.7174 127 Q 4.0397 8.3393 119.2998 58.8591 28.4724 179.1229 128 G 3.5744 8.3171 106.9973 47.7188 0.0000 175.4385 129 D 4.3061 8.2662 121.3790 57.2424 40.8960 178.9427 130 I 3.6602 7.8177 120.1782 64.4910 36.9868 178.3679 131 E 3.9229 8.2164 119.3403 59.3483 29.2370 179.1216 132 E 3.7978 8.3088 119.1809 59.0098 29.7162 178.5378 133 A 3.3382 8.0961 121.2217 55.0573 18.1860 179.6944 134 K 3.7895 7.7004 115.5589 59.5178 32.3562 179.4845 135 K 4.1093 7.7156 118.6141 59.5633 32.0392 179.7738 136 R 4.0119 7.9009 118.3384 58.8992 29.6999 178.4229 137 L 4.4584 7.6007 116.5327 56.1059 41.7610 178.1390 138 E 4.3938 7.9212 117.7420 56.5615 30.2592 176.8796 139 L 4.1771 7.6919 120.9058 54.0032 42.4552 176.2484 140 P 4.4094 0.0000 0.0000 65.9412 30.9851 178.4481 141 E 3.9262 8.0624 116.6745 58.8177 29.7742 177.4327 142 Y 4.9529 7.5777 115.6299 59.7201 38.7872 177.2338 143 L 4.4195 8.8486 122.0557 58.3757 42.0575 179.2871 144 K 3.9959 8.1396 118.0174 59.8957 32.4338 179.1614 145 I 3.8740 8.0510 120.9872 63.7378 36.7477 177.8521 146 K 2.9415 6.8588 120.0384 58.4532 31.6855 176.8866 147 E 4.4309 7.6632 116.1044 55.9110 30.0192 176.2082 148 D 4.5347 8.1193 119.5805 54.4280 43.1273 176.8927 149 N 4.3719 8.7631 122.0525 55.9531 38.2777 177.1408 150 F 3.8222 8.5436 122.2259 61.5245 39.4558 176.8333 151 F 4.4771 8.1183 118.0456 59.5648 38.6256 178.0949 152 Q 4.0957 8.0470 117.5214 58.6303 28.3130 178.8212 153 V 3.7786 7.8217 120.0198 64.6501 31.3709 178.3718 154 S 4.1877 7.7654 115.6351 60.2258 62.4137 174.4044 155 K 4.1455 7.3735 125.4757 56.8713 32.6461 176.4171 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 *9 R 8.25 4.37 0.00 1.85 1.91 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 10 H 8.09 4.80 0.00 3.31 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.59 4.78 0.00 1.65 1.57 1.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.59 0.00 1.38 1.93 0.00 3.79 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 2.10 2.08 0.00 13 Y 8.42 4.52 0.00 3.12 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 14 F 7.71 4.83 0.00 2.38 1.57 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 0.00 0.00 0.00 0.00 15 C 8.74 4.80 0.00 2.85 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 16 R 8.21 5.21 0.00 1.62 1.82 0.00 3.18 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 17 G 8.77 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 18 Q 8.68 4.78 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 19 V 8.84 4.34 2.34 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 0.62 0.00 0.00 1.17 0.00 0.00 20 V 8.58 5.02 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 0.91 0.00 0.00 1.05 0.00 0.00 21 R 8.67 4.24 0.00 1.53 1.50 0.00 2.81 0.00 0.00 2.67 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 0.00 22 G 7.94 4.06 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 0.00 0.00 0.00 23 F 8.11 4.68 0.00 3.04 2.98 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 24 G 8.49 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 25 R 8.44 4.43 0.00 1.78 1.83 0.00 3.26 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 26 G 8.37 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 27 S 8.54 4.36 0.00 4.07 4.10 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 28 K 8.19 3.78 0.00 1.80 1.92 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.49 7.81 29 Q 7.98 3.98 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 30 L 7.85 4.48 0.00 1.66 1.69 0.88 0.95 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 31 G 8.16 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 32 I 7.15 4.46 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.62 0.00 0.00 33 P 0.00 4.53 0.00 2.03 2.12 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 34 T 8.27 4.75 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 35 A 9.15 4.27 1.10 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 0.00 0.00 36 N 8.57 5.06 0.00 2.86 2.78 0.00 0.00 7.00 8.13 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 37 F 8.34 5.76 0.00 3.09 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 38 P 0.00 4.60 0.00 2.25 2.06 0.00 3.76 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 39 E 9.00 4.21 0.00 2.43 2.46 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 2.42 2.44 0.00 40 Q 8.24 4.07 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 41 V 7.89 3.66 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 0.61 0.00 0.00 0.66 0.00 0.00 42 V 7.86 3.64 2.27 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 1.06 0.00 0.00 1.09 0.00 0.00 43 D 8.61 4.54 0.00 2.72 2.76 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 44 N 7.62 4.77 0.00 2.77 2.90 0.00 0.00 6.98 7.88 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 45 L 7.55 3.65 0.00 1.53 1.29 0.74 0.30 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 46 P 0.00 4.16 0.00 2.03 1.59 0.00 2.79 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 47 A 8.64 4.01 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 48 D 7.87 4.50 0.00 2.78 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 49 I 7.11 4.01 1.67 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.31 0.41 0.00 0.00 50 S 7.97 4.30 0.00 3.99 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 51 T 7.93 3.98 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 0.05 0.00 0.00 52 G 7.64 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 53 I 7.81 4.92 1.65 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 1.12 0.92 0.93 0.00 0.00 54 Y 9.39 5.18 0.00 2.78 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 55 Y 8.58 5.13 0.00 2.90 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 56 G 7.50 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 57 W 8.49 5.63 0.00 3.55 2.86 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 58 A 9.52 5.76 1.35 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 59 S 9.54 5.09 0.00 4.06 3.90 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 60 V 8.29 4.53 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 0.64 0.00 0.00 -0.14 0.00 0.00 61 G 9.19 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 62 S 8.22 5.03 0.00 3.97 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 63 G 7.98 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 64 D 8.16 4.50 0.00 2.40 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 4.06 1.63 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 0.02 0.00 0.00 0.34 0.00 0.00 66 H 9.33 5.30 0.00 3.10 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.72 4.33 0.00 1.62 1.45 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.59 1.43 7.81 68 M 8.52 5.17 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 69 V 8.76 5.03 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 0.71 0.00 0.00 0.98 0.00 0.00 70 V 8.82 4.81 2.13 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 0.85 0.00 0.00 0.96 0.00 0.00 71 S 9.07 5.17 0.00 3.94 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.08 4.82 1.95 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 1.08 0.54 0.78 0.00 0.00 73 G 8.65 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 0.00 0.00 0.00 74 W 8.54 5.09 0.00 3.18 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 75 N 9.26 4.49 0.00 2.64 2.79 0.00 0.00 7.23 7.47 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 76 P 0.00 4.15 0.00 0.66 1.68 0.00 3.29 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 1.51 1.88 0.00 77 Y 8.05 4.70 0.00 2.81 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 78 Y 7.52 5.11 0.00 3.00 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 79 K 8.52 4.33 0.00 1.90 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.49 7.81 80 N 8.54 4.04 0.00 2.97 2.65 0.00 0.00 6.66 7.54 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 81 T 8.25 4.70 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 0.95 0.00 0.00 82 K 8.12 4.78 0.00 1.90 1.92 0.00 1.95 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.79 1.67 7.81 83 K 8.60 4.96 0.00 1.53 1.59 0.00 1.45 0.00 0.00 1.37 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.45 1.17 7.81 84 S 8.86 4.95 0.00 3.83 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 85 M 8.47 5.46 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 86 E 9.14 4.94 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 2.18 2.28 0.00 87 T 8.74 4.97 4.11 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 1.28 0.00 0.00 88 H 9.06 5.31 0.00 3.24 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.21 4.54 2.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 1.13 0.00 0.00 90 M 8.60 4.46 0.00 1.86 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 91 H 7.59 4.46 0.00 2.63 2.78 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 92 T 7.97 4.20 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 1.19 0.00 0.00 93 F 8.68 4.70 0.00 3.12 3.28 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 94 K 8.72 4.32 0.00 1.82 1.91 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 95 E 7.89 4.79 0.00 2.07 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 2.43 0.00 96 D 8.48 4.37 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.95 5.04 0.00 3.02 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 98 Y 7.85 4.27 0.00 3.02 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 99 G 9.37 4.10 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 0.00 0.00 0.00 100 E 7.92 4.38 0.00 2.16 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 2.43 2.52 0.00 101 I 8.23 4.71 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.99 0.00 0.00 102 L 9.22 4.96 0.00 1.86 1.98 1.02 0.28 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 0.00 103 N 9.55 5.63 0.00 2.94 2.63 0.00 0.00 6.36 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 0.00 104 V 9.57 5.38 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 1.01 0.00 0.00 1.36 0.00 0.00 105 A 9.59 4.60 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 0.00 106 I 8.53 4.26 1.78 0.00 0.00 0.71 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 0.64 0.71 0.00 0.00 107 V 8.56 4.07 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 0.84 0.00 0.00 0.39 0.00 0.00 108 G 6.84 3.63 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 0.00 0.00 0.00 109 Y 8.44 4.56 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 110 L 8.28 4.30 0.00 1.40 1.53 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 111 R 6.12 4.36 0.00 1.72 1.84 0.00 2.95 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.38 0.00 112 P 0.00 4.92 0.00 2.23 2.19 0.00 3.35 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 113 E 8.48 4.18 0.00 2.02 1.96 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 2.34 2.36 0.00 114 K 8.06 4.51 0.00 1.05 1.03 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.52 7.81 115 N 8.20 4.67 0.00 2.58 2.68 0.00 0.00 6.79 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 0.00 116 F 8.50 4.95 0.00 3.01 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 0.00 117 D 8.79 4.68 0.00 2.79 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 0.00 118 S 7.55 4.68 0.00 4.03 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 0.00 119 L 8.48 3.97 0.00 1.70 1.73 0.91 0.72 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 0.00 120 E 8.15 3.88 0.00 2.01 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 2.35 2.35 0.00 121 S 8.08 4.08 0.00 4.27 4.17 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 0.00 122 L 7.64 2.60 0.00 1.56 1.66 0.76 1.02 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 0.00 123 I 7.95 3.56 1.84 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 1.33 0.52 0.84 0.00 0.00 124 S 7.99 3.97 0.00 3.84 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 0.00 125 A 7.82 3.90 1.10 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 0.00 0.00 126 I 7.71 3.72 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.55 0.83 0.00 0.00 127 Q 8.34 4.04 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 128 G 8.32 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.27 4.31 0.00 2.87 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 0.00 130 I 7.82 3.66 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 0.90 0.00 0.00 131 E 8.22 3.92 0.00 1.93 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 2.48 2.43 0.00 132 E 8.31 3.80 0.00 2.06 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 2.19 2.16 0.00 133 A 8.10 3.34 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 0.00 134 K 7.70 3.79 0.00 1.86 1.84 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.61 7.81 135 K 7.72 4.11 0.00 1.81 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.60 7.81 136 R 7.90 4.01 0.00 1.07 1.79 0.00 2.60 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 137 L 7.60 4.46 0.00 1.45 1.32 0.47 0.33 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 0.00 138 E 7.92 4.39 0.00 2.15 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 0.00 2.57 2.53 0.00 139 L 7.69 4.18 0.00 2.00 1.56 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.41 0.00 2.15 2.13 0.00 3.60 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 2.12 2.18 0.00 141 E 8.06 3.93 0.00 1.79 1.61 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 1.47 2.21 0.00 142 Y 7.58 4.95 0.00 3.29 3.18 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 0.00 143 L 8.85 4.42 0.00 2.04 1.80 1.24 0.54 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 0.00 144 K 8.14 4.00 0.00 2.05 2.10 0.00 1.41 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.58 7.81 145 I 8.05 3.87 2.39 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.99 1.31 0.00 0.00 146 K 6.86 2.94 0.00 0.79 1.27 0.00 0.95 0.00 0.00 1.26 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.79 0.21 7.81 147 E 7.66 4.43 0.00 1.96 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 2.16 2.31 0.00 148 D 8.12 4.53 0.00 3.04 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 0.00 149 N 8.76 4.37 0.00 2.71 2.81 0.00 0.00 6.61 8.13 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 0.00 150 F 8.54 3.82 0.00 2.31 2.65 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 0.00 0.00 0.00 0.00 151 F 8.12 4.48 0.00 3.35 3.01 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 0.00 152 Q 8.05 4.10 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 153 V 7.82 3.78 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 0.66 0.00 0.00 0.86 0.00 0.00 154 S 7.77 4.19 0.00 3.81 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 0.00 155 K 7.37 4.15 0.00 1.92 1.91 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.