NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.2774 8.4444 120.2261 56.3063 29.7986 174.4311 11 T 3.9796 8.1979 119.1571 58.5698 68.3646 172.1028 12 P 4.4554 0.0000 0.0000 62.3677 33.2184 176.5902 13 E 3.9947 8.9452 120.3381 59.8980 29.1863 180.0699 14 T 3.8469 7.8232 115.3511 67.0250 68.6613 176.5262 15 T 3.8717 7.8059 117.4066 66.5495 68.3984 176.5646 16 E 3.9218 8.1738 119.7727 59.3954 29.5854 179.1520 17 A 3.9459 8.3573 121.0214 55.1311 18.3791 179.5173 18 I 3.5432 7.6419 118.3446 64.7416 37.1963 178.5657 19 R 3.9309 8.0090 119.0143 59.3219 29.7466 178.3299 20 A 3.9285 8.1319 120.6596 55.1605 18.3878 179.8321 21 V 3.1973 7.5623 116.6624 65.9247 31.4917 178.1131 22 E 3.8108 8.3001 118.3293 59.3216 29.3022 179.0980 23 A 3.9138 8.2448 121.1725 55.0742 18.4179 179.4604 24 F 4.0365 8.3844 119.3293 61.4909 39.5589 177.4184 25 L 3.4304 7.7115 118.5415 57.6153 41.3025 179.2596 26 N 4.2131 8.1713 116.3007 56.1231 38.3368 177.2571 27 A 3.8502 7.8225 122.2281 54.9280 18.2778 179.6679 28 L 3.7526 7.3708 117.3805 57.9819 41.4781 179.5212 29 Q 4.3484 7.4618 119.1537 58.5998 29.1247 177.3498 30 N 4.4731 8.2488 114.7834 52.6324 39.0247 174.7865 31 E 2.7956 7.2485 119.0086 57.3988 27.7021 175.7549 32 D 4.4771 7.4622 119.6776 53.3232 39.4593 175.1932 33 F 4.5227 7.9822 123.1244 59.5013 39.4794 176.6210 34 D 4.4367 8.1468 118.7174 57.5248 40.7180 178.5820 35 T 3.9251 7.8572 115.3241 66.3821 68.4910 176.8355 36 V 3.8228 7.8622 120.2826 66.2497 31.3553 177.7109 37 D 4.5270 8.2547 117.1155 57.5984 40.8100 178.5952 38 A 4.1262 8.0275 119.4905 54.8956 18.6530 179.1641 39 A 4.1483 8.1759 119.2195 52.9158 18.3839 176.9823 40 L 4.6207 6.8844 116.6363 52.6633 43.1724 177.0204 41 G 3.7946 8.6883 113.6792 45.2944 0.0000 173.8882 42 D 4.4219 8.8675 121.4382 57.0232 40.9430 178.0096 43 D 4.9671 7.7994 116.4639 53.5307 41.5476 175.8637 44 L 4.0998 7.7109 121.2306 56.2712 43.2286 176.0351 45 V 4.8003 8.8217 119.1090 59.7849 34.2404 173.9356 46 Y 5.2811 9.2401 127.4785 55.9598 41.1825 173.9689 47 E 5.2078 8.9638 126.6977 53.5481 33.0528 174.9518 48 N 4.9767 7.6175 122.3839 51.3629 39.8937 175.1123 49 V 3.3933 7.9138 125.5449 64.2858 31.7238 176.5219 50 G 3.6831 8.9719 115.5155 45.2868 0.0000 173.4148 51 F 4.5576 8.1864 116.3209 58.4376 41.8927 175.4812 52 S 4.6524 7.4320 112.6129 56.9875 66.1142 173.3954 53 R 4.9082 8.3745 121.8507 54.6701 32.8507 174.1514 54 I 4.6914 8.7510 126.4318 59.5123 41.1252 174.4277 55 R 4.9666 8.5476 124.4449 55.1697 32.5525 175.8727 56 G 4.1068 9.6296 113.9365 45.1761 0.0000 174.7566 57 G 3.6726 8.8815 112.1573 48.1047 0.0000 175.8966 58 R 4.0559 7.9549 120.1040 58.9064 30.1834 179.0011 59 R 3.9488 7.9577 118.1329 59.6560 30.1352 178.6076 60 T 3.9802 8.1216 115.4507 66.5114 68.4299 176.4920 61 A 4.1381 8.6040 123.3947 55.5960 18.4453 179.7684 62 T 3.8918 8.0579 108.0186 64.1935 68.7917 176.7797 63 L 3.9600 7.6964 122.7368 58.1893 42.2124 178.6926 64 L 4.3469 7.9758 117.4365 57.9110 41.7062 178.9760 65 R 2.5100 7.7536 117.4878 58.6140 30.8743 178.1516 66 R 4.0894 7.5178 117.7853 54.5289 28.0386 176.7841 *68 Q 3.9824 7.4169 118.2413 57.1919 30.3361 175.0635 69 G 4.0196 9.0705 112.8951 45.6276 0.0000 173.5553 70 R 4.4267 7.8749 116.6325 56.7719 32.3115 176.4950 71 V 4.5159 7.4252 115.7077 59.8526 33.9509 175.6044 72 G 3.7869 8.9358 113.0392 45.0437 0.0000 172.2453 73 F 5.8159 8.1843 118.6386 55.5134 42.8105 174.1350 74 E 4.8605 9.1703 121.3642 54.6169 33.1679 175.2607 75 V 4.8092 8.2207 121.6333 61.1546 34.8037 174.0939 76 K 4.4629 9.1142 129.1385 54.6701 34.8751 174.6103 77 I 4.4700 8.2930 128.8286 60.8720 37.4516 175.4818 78 H 4.6330 9.3484 125.7427 58.2111 29.6409 176.3396 79 R 4.8154 7.7923 114.9864 54.8871 34.7354 174.2012 80 I 5.0605 8.2628 121.3264 60.0865 41.2978 173.7261 81 G 4.3450 8.9926 114.3347 45.4529 0.0000 171.3768 82 A 5.2933 8.4879 120.8782 50.1805 22.6557 176.1269 83 D 4.5789 9.3425 119.7448 52.9221 42.9470 177.6233 84 G 3.7829 8.1564 117.7563 46.4755 0.0000 174.6269 85 A 4.1329 8.7376 130.2385 53.4556 18.8706 177.6608 86 A 4.9291 8.0570 118.9174 51.6647 20.1871 176.8004 87 V 4.8900 9.1074 121.1056 61.1105 34.9322 174.3909 88 L 5.4681 9.2322 127.2879 53.4657 45.5081 175.4144 89 T 5.1213 8.7650 115.3882 60.7118 71.4348 171.8759 90 E 4.9974 9.6751 130.3241 54.7422 31.8299 174.7915 91 R 5.2371 9.4580 125.3698 54.8967 35.4929 174.1112 92 T 5.1082 8.8196 117.0729 62.1386 71.1666 173.6977 93 D 5.3894 8.6531 125.5920 52.4911 44.6467 175.0937 94 A 5.0090 8.5285 120.8638 50.4296 22.9054 174.9978 95 L 5.2156 9.1239 122.2697 53.1773 44.4191 175.6240 96 I 4.9033 8.5668 123.8918 59.5941 40.4605 174.6257 97 I 4.6682 8.6804 128.0293 58.6752 39.9453 177.3431 98 G 3.7479 8.8506 119.6307 46.3057 0.0000 172.3905 99 P 4.4327 0.0000 0.0000 62.6906 31.8984 175.2631 100 L 4.1829 7.8982 123.4396 54.4428 42.7090 174.8379 101 R 4.9403 8.5348 126.1911 54.4734 33.0282 173.9809 102 V 4.3219 9.0086 126.9231 61.2490 34.0333 173.7831 103 Q 5.1362 8.5633 129.1806 54.4454 32.0285 173.9106 104 F 5.1979 8.0820 119.0737 55.4298 41.5459 173.3166 105 W 5.0491 9.0895 118.1330 56.6318 29.2416 175.8222 106 V 5.2436 9.1976 120.9378 61.8113 35.1469 173.5634 107 C 5.7691 9.2123 125.0987 57.5379 30.5118 172.8809 108 G 4.7601 9.0049 110.8243 43.6982 0.0000 172.0478 109 V 5.2731 8.9187 117.2016 59.4626 34.7179 174.9086 110 F 5.4970 9.8553 122.9466 55.7417 43.4146 173.7646 111 E 5.3427 9.1097 120.0172 54.5729 32.7742 175.3808 112 V 4.9195 8.5864 123.6261 59.8664 34.2859 174.8023 113 D 4.5588 9.1178 123.3673 53.1907 42.9801 174.7628 114 D 4.3646 9.2728 127.9814 55.4623 38.8513 174.9401 115 G 3.9656 8.2659 104.8781 45.7269 0.0000 173.7549 116 R 4.6981 7.5190 119.2406 54.2575 32.2945 175.1733 117 I 4.5841 8.7150 123.8332 61.3816 37.6732 176.4746 118 T 4.4086 9.3201 118.0300 61.8194 71.2374 174.2421 119 L 5.2598 7.8932 123.7559 52.8917 45.9296 175.0804 120 W 4.9755 9.3877 135.0000 55.8782 33.9254 173.8135 121 R 4.7906 8.9551 128.9328 54.7364 32.0344 173.4765 122 D 5.4904 9.0339 127.5296 52.9936 43.3508 175.2815 123 Y 4.8003 9.4428 121.4112 56.4278 40.6707 174.8654 124 F 4.2479 7.7500 116.8691 56.1244 41.2027 172.3653 125 D 5.0049 7.4340 118.0038 52.1738 43.0231 176.2761 126 V 3.7765 8.6349 119.7781 64.6397 32.2576 177.1082 127 Y 4.4338 8.5756 120.6087 60.9675 38.9686 178.3660 128 D 4.2283 8.2261 116.2175 54.9242 41.2229 177.5547 *130 F 4.7013 8.1852 121.3053 57.6567 41.2337 177.0902 131 K 3.8349 8.3556 120.4557 59.2837 31.6576 179.5947 132 G 3.6715 8.1029 107.4452 47.0017 0.0000 175.6209 133 L 3.8939 7.5362 122.1611 57.9026 42.1241 178.8955 134 L 3.8162 7.5735 118.9741 57.7015 41.4468 179.5255 135 R 3.9284 7.9652 118.8881 59.0258 30.1017 178.7758 136 G 3.6529 8.0475 106.9889 47.2654 0.0000 175.6306 137 L 3.9789 8.0008 121.0106 57.3506 41.8523 179.4984 138 V 3.6829 8.0711 118.2292 66.0092 31.4504 177.9693 139 A 4.2419 8.2525 120.2304 54.7155 17.9412 179.3588 140 L 4.0069 7.6521 116.5814 57.0539 41.6284 178.1317 141 V 4.1670 7.5720 116.3630 63.0321 33.6107 175.2341 142 V 4.2526 7.8135 120.7490 59.7001 30.8592 173.8307 143 P 4.7261 0.0000 0.0000 63.2356 31.4605 177.1087 144 S 4.3881 7.8807 111.6926 58.9730 62.6349 173.9380 145 L 4.6009 7.9598 118.6715 54.8449 41.7416 176.2179 146 K 4.0384 7.8382 120.5632 55.7063 32.7070 176.6689 147 A 4.2176 8.4528 129.0550 52.6097 18.9987 176.5410 148 T 4.7213 8.0056 109.0647 59.9362 72.1394 174.0858 149 L 4.2782 8.4005 121.1147 55.0322 41.9068 176.6323 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 10 E 8.44 4.28 0.00 1.95 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 2.21 2.37 0.00 11 T 8.20 3.98 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 12 P 0.00 4.46 0.00 2.26 2.16 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 13 E 8.95 3.99 0.00 2.00 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 2.41 2.38 0.00 14 T 7.82 3.85 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 15 T 7.81 3.87 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 1.20 0.00 0.00 16 E 8.17 3.92 0.00 2.05 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 2.39 2.37 0.00 17 A 8.36 3.95 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 18 I 7.64 3.54 2.00 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 1.40 0.73 0.88 0.00 0.00 19 R 8.01 3.93 0.00 2.10 1.98 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 20 A 8.13 3.93 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 21 V 7.56 3.20 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 -0.02 0.00 0.00 0.56 0.00 0.00 22 E 8.30 3.81 0.00 2.11 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 2.26 2.37 0.00 23 A 8.24 3.91 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 24 F 8.38 4.04 0.00 2.95 3.05 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 0.00 0.00 0.00 0.00 25 L 7.71 3.43 0.00 1.55 1.53 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.17 4.21 0.00 2.63 2.77 0.00 0.00 6.90 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 27 A 7.82 3.85 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 28 L 7.37 3.75 0.00 1.59 1.64 0.44 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.46 4.35 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 30 N 8.25 4.47 0.00 2.63 2.73 0.00 0.00 7.09 7.25 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 31 E 7.25 2.80 0.00 1.90 1.83 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 2.24 2.11 0.00 32 D 7.46 4.48 0.00 2.62 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 33 F 7.98 4.52 0.00 3.19 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.15 4.44 0.00 2.75 2.75 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 35 T 7.86 3.93 4.39 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 1.21 0.00 0.00 36 V 7.86 3.82 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 1.35 0.00 0.00 0.95 0.00 0.00 37 D 8.25 4.53 0.00 2.94 2.78 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 38 A 8.03 4.13 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 39 A 8.18 4.15 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 40 L 6.88 4.62 0.00 1.69 1.59 1.02 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.69 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 42 D 8.87 4.42 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.80 4.97 0.00 2.67 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 44 L 7.71 4.10 0.00 1.97 1.73 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.82 4.80 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 46 Y 9.24 5.28 0.00 2.93 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 47 E 8.96 5.21 0.00 1.64 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 48 N 7.62 4.98 0.00 2.42 2.97 0.00 0.00 6.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.91 3.39 1.68 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 0.54 0.00 0.00 0.03 0.00 0.00 50 G 8.97 3.68 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 0.00 0.00 0.00 51 F 8.19 4.56 0.00 3.09 3.07 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 0.00 52 S 7.43 4.65 0.00 3.72 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 53 R 8.37 4.91 0.00 1.66 1.70 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 54 I 8.75 4.69 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 1.00 0.00 0.00 55 R 8.55 4.97 0.00 1.67 1.84 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 56 G 9.63 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 0.00 0.00 0.00 0.00 57 G 8.88 3.67 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 0.00 0.00 0.00 58 R 7.95 4.06 0.00 1.90 2.02 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 59 R 7.96 3.95 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 60 T 8.12 3.98 4.36 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 1.31 0.00 0.00 61 A 8.60 4.14 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.06 3.89 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 63 L 7.70 3.96 0.00 1.93 2.00 0.97 1.15 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 64 L 7.98 4.35 0.00 2.03 2.09 1.26 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.75 2.51 0.00 1.49 1.87 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 0.00 66 R 7.52 4.09 0.00 1.89 1.88 0.00 3.23 0.00 0.00 3.13 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 *68 Q 7.42 3.98 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.56 2.77 0.00 69 G 9.07 4.02 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 0.00 0.00 0.00 70 R 7.87 4.43 0.00 1.75 1.93 0.00 3.14 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 71 V 7.43 4.52 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 0.73 0.00 0.00 0.87 0.00 0.00 72 G 8.94 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 73 F 8.18 5.82 0.00 2.96 2.84 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 74 E 9.17 4.86 0.00 1.86 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 2.35 2.20 0.00 75 V 8.22 4.81 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 0.81 0.00 0.00 0.91 0.00 0.00 76 K 9.11 4.46 0.00 1.81 1.68 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.20 7.81 77 I 8.29 4.47 1.84 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 1.34 0.66 0.92 0.00 0.00 78 H 9.35 4.63 0.00 3.22 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.79 4.82 0.00 1.74 1.78 0.00 3.31 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 80 I 8.26 5.06 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.91 0.00 0.00 81 G 8.99 4.34 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 0.00 82 A 8.49 5.29 1.20 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 83 D 9.34 4.58 0.00 2.68 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 84 G 8.16 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 85 A 8.74 4.13 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 86 A 8.06 4.93 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 87 V 9.11 4.89 2.20 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 0.87 0.00 0.00 0.95 0.00 0.00 88 L 9.23 5.47 0.00 1.68 1.61 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.76 5.12 4.68 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 1.67 0.00 0.00 90 E 9.68 5.00 0.00 2.06 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 2.30 2.27 0.00 91 R 9.46 5.24 0.00 1.95 1.98 0.00 3.22 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 92 T 8.82 5.11 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 1.25 0.00 0.00 93 D 8.65 5.39 0.00 1.76 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 0.00 0.00 0.00 0.00 94 A 8.53 5.01 1.14 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 0.00 0.00 95 L 9.12 5.22 0.00 1.72 1.71 0.99 1.31 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 96 I 8.57 4.90 1.81 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 1.33 1.07 0.93 0.00 0.00 97 I 8.68 4.67 1.86 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 1.15 0.69 0.95 0.00 0.00 98 G 8.85 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 99 P 0.00 4.43 0.00 2.17 2.16 0.00 3.86 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 100 L 7.90 4.18 0.00 1.75 1.77 0.90 0.78 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 0.00 101 R 8.53 4.94 0.00 1.88 1.72 0.00 3.16 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 102 V 9.01 4.32 2.16 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 1.00 0.00 0.00 0.92 0.00 0.00 103 Q 8.56 5.14 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 104 F 8.08 5.20 0.00 3.08 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 0.00 105 W 9.09 5.05 0.00 3.44 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 0.00 106 V 9.20 5.24 2.36 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 1.53 0.00 0.00 1.30 0.00 0.00 107 C 9.21 5.77 0.00 3.20 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 0.00 108 G 9.00 4.76 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 0.00 109 V 8.92 5.27 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 0.97 0.00 0.00 1.05 0.00 0.00 110 F 9.86 5.50 0.00 2.94 2.95 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 0.00 111 E 9.11 5.34 0.00 1.97 1.86 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 2.26 2.28 0.00 112 V 8.59 4.92 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 0.67 0.00 0.00 0.92 0.00 0.00 113 D 9.12 4.56 0.00 2.68 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 0.00 114 D 9.27 4.36 0.00 2.85 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 0.00 115 G 8.27 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 0.00 0.00 0.00 116 R 7.52 4.70 0.00 1.87 1.88 0.00 3.12 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 117 I 8.71 4.58 1.66 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 0.96 0.00 0.00 118 T 9.32 4.41 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 1.28 0.00 0.00 119 L 7.89 5.26 0.00 1.79 1.65 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 120 W 9.39 4.98 0.00 3.33 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 0.00 121 R 8.96 4.79 0.00 1.80 1.79 0.00 3.13 0.00 0.00 2.84 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.37 0.00 122 D 9.03 5.49 0.00 2.78 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 0.00 123 Y 9.44 4.80 0.00 3.27 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 0.00 124 F 7.75 4.25 0.00 2.57 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 0.00 125 D 7.43 5.00 0.00 2.87 2.36 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 0.00 126 V 8.63 3.78 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 1.00 0.00 0.00 1.05 0.00 0.00 127 Y 8.58 4.43 0.00 3.05 3.48 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 0.00 128 D 8.23 4.23 0.00 3.06 2.51 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 0.00 0.00 0.00 0.00 *130 F 8.19 4.70 0.00 3.22 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.36 3.83 0.00 1.74 1.68 0.00 1.56 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.09 7.81 132 G 8.10 3.67 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 0.00 0.00 0.00 133 L 7.54 3.89 0.00 1.67 1.64 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.57 3.82 0.00 1.55 1.50 0.42 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 135 R 7.97 3.93 0.00 1.94 1.87 0.00 3.08 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 136 G 8.05 3.65 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 0.00 0.00 0.00 137 L 8.00 3.98 0.00 1.66 1.71 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.07 3.68 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 1.08 0.00 0.00 0.96 0.00 0.00 139 A 8.25 4.24 1.39 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 0.00 0.00 140 L 7.65 4.01 0.00 1.79 1.73 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.57 4.17 2.20 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 0.79 0.00 0.00 0.92 0.00 0.00 142 V 7.81 4.25 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 1.03 0.00 0.00 0.92 0.00 0.00 143 P 0.00 4.73 0.00 2.07 2.09 0.00 3.76 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 144 S 7.88 4.39 0.00 3.82 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 0.00 145 L 7.96 4.60 0.00 1.62 1.63 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.84 4.04 0.00 1.70 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 147 A 8.45 4.22 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 0.00 148 T 8.01 4.72 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 149 L 8.40 4.28 0.00 1.63 1.59 0.93 0.82 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 * Residues marked with a * may have inaccurate shift predictions.