NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4017 8.1127 119.6717 56.2806 32.0344 174.0863 3 I 4.6002 8.2268 124.3689 59.4227 40.7418 172.5323 4 G 4.5306 8.9384 112.1351 45.3059 0.0000 170.9071 5 H 5.4623 8.7800 121.1419 54.2482 33.2018 172.5844 6 G 4.3802 8.9871 111.1873 44.7376 0.0000 171.0253 7 F 5.4591 8.3991 122.3491 56.7298 43.0458 173.0327 8 D 4.1993 6.8905 119.9640 53.6501 45.0496 174.8563 9 V 4.8998 7.8870 116.4528 60.4437 36.4006 174.2410 10 H 4.7682 8.6367 116.8417 54.7350 33.6213 173.4828 11 A 4.5735 8.4980 124.0422 51.3543 20.1841 176.8235 12 F 5.1363 8.9895 119.4524 56.6122 39.8289 175.6519 13 G 4.1068 9.7058 112.4046 46.0646 0.0000 172.8124 14 G 3.9793 8.2138 107.4238 44.3730 0.0000 175.7132 15 E 4.6535 8.0545 122.6040 55.5914 30.2298 177.5041 16 G 4.2406 9.0706 112.0813 44.5835 0.0000 173.5519 17 P 4.4222 0.0000 0.0000 57.4332 32.3044 173.9178 18 I 4.7861 8.6014 116.4217 59.1443 41.4762 174.0913 19 I 4.9992 8.2444 123.6012 59.7218 40.4563 174.9005 20 I 4.6898 8.5156 127.4355 60.8014 40.2276 175.7276 21 G 3.8695 10.4594 114.3564 46.2521 0.0000 174.4669 22 G 3.8950 9.0214 109.3198 44.7312 0.0000 174.4990 23 V 4.2287 7.4571 119.5721 61.6540 32.6299 174.6591 24 R 4.7349 8.5171 127.1078 55.7597 30.4810 175.1219 25 I 4.4654 8.3678 128.1960 58.7110 39.5943 173.8739 26 P 4.6157 0.0000 0.0000 62.9832 32.2650 175.2294 27 Y 4.6707 8.4331 120.6553 57.0396 41.5114 173.9381 28 E 3.7544 8.4321 125.2318 59.3165 29.3078 177.5324 29 K 4.4402 6.8258 116.8060 54.5763 34.6807 174.5947 30 G 4.5865 8.3773 106.4112 44.4113 0.0000 171.1919 31 L 5.3699 8.4299 119.0727 52.7510 43.5978 176.7934 32 L 4.3358 8.6890 124.9311 54.5833 42.0191 176.5090 33 A 4.3979 8.1835 124.2542 51.4639 21.7391 175.4583 34 H 4.3591 9.0854 120.1388 58.4687 30.1175 174.7876 35 S 4.7066 7.5391 111.5342 55.6916 65.9020 172.0194 36 D 4.2472 8.7733 119.8480 53.8993 39.1384 178.1145 37 G 3.7162 8.3430 117.6394 45.5564 0.0000 175.2702 38 D 4.9783 7.1909 120.2770 52.3903 39.9249 175.3281 39 V 4.3614 8.1658 119.3585 63.1906 31.8805 177.3548 40 A 3.9286 7.9109 119.8263 55.3961 18.3283 179.6348 41 L 3.9718 8.0199 116.8291 57.9993 41.6591 179.3606 42 H 4.2224 8.2607 116.1041 58.8965 28.7017 177.7008 43 A 3.9410 8.2743 122.9169 54.9846 18.0674 179.4658 44 L 3.8827 7.9371 118.9160 58.4142 42.0587 179.3689 45 T 3.8209 8.3914 116.0183 66.8439 68.4717 176.1505 46 D 4.2655 8.2684 120.6497 57.5237 40.8625 178.8802 47 A 4.0527 8.0283 120.8604 55.1667 18.3208 179.3653 48 L 3.9520 8.1232 117.1895 58.2661 41.7735 180.0885 49 L 4.0907 8.9313 119.6663 57.6553 41.4629 179.9106 50 G 3.5300 8.5436 106.1215 47.6086 0.0000 175.7427 51 A 4.6825 8.1754 123.4331 54.0382 18.4383 178.5779 52 A 3.6841 7.3698 116.4486 50.4730 20.0833 177.2696 53 A 3.6718 7.4536 120.2632 54.2195 16.1283 177.7065 54 L 4.4839 8.2468 115.9658 52.5723 43.4204 176.6462 55 G 3.5653 8.2218 109.7652 46.0792 0.0000 173.4665 56 D 4.0831 8.0754 121.4219 54.0754 40.7338 174.9432 57 I 3.8658 9.3175 120.6358 62.5019 38.3800 177.6447 58 G 3.6685 8.2121 109.2430 47.7460 0.0000 175.5589 59 K 3.6616 7.4279 117.6754 58.5502 32.8822 177.4524 60 L 4.1617 7.5459 120.5632 54.2813 41.8944 175.1076 61 F 4.1854 7.3700 119.7498 56.8855 38.8712 172.8156 62 P 5.2433 0.0000 0.0000 62.9447 31.3352 174.1911 63 D 4.6596 8.4339 117.4815 54.5576 43.4470 175.0152 64 T 3.3915 7.9667 112.1934 63.5335 65.4093 173.1505 65 D 4.3236 8.0104 122.1742 54.7450 40.5135 175.3455 66 P 4.0977 0.0000 0.0000 61.8939 27.6933 175.3982 67 A 4.1774 7.0322 133.0762 52.2283 19.9122 177.3662 68 F 4.7257 8.7483 119.5253 57.5575 40.8226 173.9316 69 K 4.6678 9.4520 135.0000 57.2617 33.9283 174.0705 70 G 4.0838 8.5281 115.2083 45.1977 0.0000 172.5844 71 A 4.7981 7.6461 122.0469 49.4526 21.5043 177.1358 72 D 4.8299 8.4107 122.1967 53.1416 41.6335 177.7554 73 S 4.2204 9.1834 116.3208 61.8094 62.6579 177.4222 74 R 3.8766 7.8854 120.4269 59.2279 29.7419 178.7626 75 E 4.0172 8.8108 118.6716 59.3286 29.5136 179.3098 76 L 3.9062 7.7778 118.7725 57.6021 41.5939 179.2932 77 L 3.9365 8.1982 120.4809 58.3343 41.9837 179.2673 78 R 4.0242 8.0247 117.9797 59.1237 29.9683 178.6684 79 E 3.8621 8.5289 119.0940 59.3393 29.6972 178.5565 80 A 3.9376 8.4126 121.1070 55.0939 18.2964 179.4162 81 W 4.4446 8.5856 126.9434 60.6581 30.8660 178.1182 82 R 3.7349 8.2759 118.9275 59.5783 29.2534 178.7520 83 R 3.9764 7.7405 116.8750 58.9147 30.4079 178.8027 84 I 3.8198 7.5542 119.9092 64.4340 37.0400 178.4636 85 Q 4.2141 8.0011 120.1648 58.0547 28.1428 178.4301 86 A 3.9807 7.3329 120.8042 55.0392 17.3095 178.9968 87 K 4.3938 7.9935 115.6264 56.4859 32.9332 177.5375 88 G 3.8062 7.9728 105.4949 46.8247 0.0000 173.8628 89 Y 4.7422 7.1125 113.4425 56.0884 40.2604 174.9538 90 T 4.9594 8.7302 117.3925 59.9162 71.1450 172.7057 91 L 4.3654 9.2642 129.3323 55.6359 42.4075 175.6261 92 G 4.1315 8.7362 113.4771 46.3480 0.0000 172.8498 93 N 5.0575 7.4563 115.1144 51.4986 40.6509 173.0872 94 V 4.9678 8.6704 112.8198 59.8555 36.7562 173.9179 95 D 5.2252 8.9330 122.4967 52.5745 44.6552 174.3677 96 V 4.7537 9.0723 125.4364 61.4515 35.0496 174.5571 97 T 4.8172 9.0840 122.2858 62.1008 72.2976 172.8285 98 I 4.4925 8.7719 128.5878 60.0748 39.3692 175.1165 99 I 5.0122 8.8887 127.8798 59.8681 39.1903 174.4507 100 A 4.8455 8.6354 127.8720 50.8402 21.8216 176.0426 101 Q 4.0181 8.9720 121.5463 58.7206 29.6481 175.8698 102 A 4.4195 7.3242 116.7799 50.4620 21.6619 173.6190 103 P 4.5280 0.0000 0.0000 61.6393 32.4793 175.8521 104 K 4.1458 8.1003 118.3569 56.1616 32.6109 177.1822 *106 L 4.3701 8.3913 120.4948 54.7388 43.3588 177.0474 107 P 4.2904 0.0000 0.0000 65.4821 31.3298 176.6420 108 H 4.5720 7.9315 114.4562 56.3417 29.3062 176.7330 109 I 3.7112 7.1877 119.7417 63.9732 37.4868 175.1847 110 P 4.3065 0.0000 0.0000 66.1630 30.9418 179.5836 111 Q 3.6082 7.4807 118.1653 55.5378 28.2908 178.0543 *113 R 4.2204 8.1416 117.0978 55.7864 32.5245 178.1788 114 V 3.4921 7.5722 116.9313 65.9660 31.3433 177.9576 115 F 4.5479 7.7696 117.3291 60.8977 38.7396 177.6090 116 I 3.6432 7.9292 118.4726 64.5579 36.9730 178.2476 117 A 3.9244 8.2053 121.3295 54.9946 17.9720 179.4671 118 E 3.9323 8.0773 117.2959 59.5969 29.5133 178.7440 119 D 4.3789 8.1611 118.2140 57.4891 41.0298 178.1439 120 L 3.3975 8.0175 115.8940 53.7537 41.9088 176.6245 121 G 3.9775 7.8623 108.1898 45.2217 0.0000 172.1864 122 C 4.7681 8.3476 117.6149 58.8055 34.3114 174.9019 123 H 4.8630 7.8609 121.4957 56.3100 27.5724 178.2309 *125 D 4.5271 8.7285 116.5971 53.6822 42.3662 174.8832 126 D 4.7688 8.1372 117.8446 54.2379 41.1580 175.7298 127 V 4.8046 7.4139 118.9547 59.9497 34.0506 174.2489 128 N 5.0986 9.3835 124.2409 51.5976 42.0548 173.1659 129 V 5.0199 8.2351 123.7390 61.1874 34.9605 174.0498 130 K 4.8563 8.8329 124.7763 55.5310 36.7070 174.4171 131 A 5.2340 8.2967 120.2334 51.0216 22.4366 175.1396 132 T 4.6651 9.0725 113.3176 61.3420 71.5064 172.7184 133 T 5.0754 8.3996 116.2128 59.8402 72.1732 173.7927 134 T 4.4571 8.2305 108.7436 61.6613 69.4503 173.8896 135 E 3.9917 8.4978 117.6306 58.7879 27.5056 174.9756 136 K 4.2351 8.1153 108.6418 56.6732 30.9150 176.0358 137 L 4.6305 7.7070 117.1939 53.8860 44.6858 177.7828 138 G 4.1253 8.5618 109.1323 44.5561 0.0000 174.2625 139 F 4.5863 8.4600 111.9633 58.7365 38.0967 177.6291 140 T 4.1630 7.0765 111.3196 64.0882 69.3821 176.0445 141 G 3.7445 8.0219 111.4839 48.1875 0.0000 173.9898 142 R 4.5476 7.9044 117.9477 55.0994 31.3010 175.9300 143 G 4.3030 8.3043 106.3039 46.0986 0.0000 175.2838 144 E 4.2801 8.5843 121.3208 58.9688 30.0423 177.1352 145 G 3.5743 7.4410 102.8921 45.8133 0.0000 172.5870 146 I 4.7836 7.9992 119.7760 59.2450 40.5672 175.2494 147 A 5.1235 8.5911 126.6649 50.6084 23.1573 174.4196 148 C 5.0079 8.3456 117.5849 58.4452 35.6558 172.6448 149 E 5.3648 9.4046 125.1037 54.7513 32.8035 174.8604 150 A 5.0754 8.9422 123.4686 50.6193 23.1022 175.6162 151 V 4.9618 8.7343 114.2620 59.6403 35.4415 174.7426 152 A 5.1207 9.0793 123.7388 50.3788 23.4816 175.0576 153 L 5.0987 8.8356 120.8697 53.6107 45.0561 175.5828 154 L 5.3849 8.9645 126.8212 53.1954 44.2683 175.8944 155 I 4.7636 9.0338 113.9895 59.0950 41.4087 175.6763 156 K 3.9417 8.5534 122.8993 56.5643 32.0936 176.0696 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 8.11 4.40 0.00 1.81 2.11 0.00 3.33 0.00 0.00 3.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.02 0.00 3 I 8.23 4.60 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.55 0.92 0.00 0.00 4 G 8.94 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.78 5.46 0.00 3.14 3.12 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.99 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.40 5.46 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 6.89 4.20 0.00 2.68 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 0.00 0.00 0.00 0.00 9 V 7.89 4.90 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 0.59 0.00 0.00 0.68 0.00 0.00 10 H 8.64 4.77 0.00 2.95 3.02 0.00 5.61 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 11 A 8.50 4.57 1.18 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 0.00 0.00 12 F 8.99 5.14 0.00 3.03 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 13 G 9.71 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 14 G 8.21 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 15 E 8.05 4.65 0.00 1.93 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 2.29 2.37 0.00 16 G 9.07 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 0.00 0.00 0.00 0.00 17 P 0.00 4.42 0.00 2.00 1.96 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 18 I 8.60 4.79 1.95 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 1.44 0.87 1.11 0.00 0.00 19 I 8.24 5.00 1.85 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 1.35 1.32 0.97 0.00 0.00 20 I 8.52 4.69 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.05 0.88 0.00 0.00 21 G 10.46 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.02 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 23 V 7.46 4.23 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 0.95 0.00 0.00 1.00 0.00 0.00 24 R 8.52 4.73 0.00 1.89 1.88 0.00 3.27 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 25 I 8.37 4.47 1.81 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 0.70 1.31 0.86 0.00 0.00 26 P 0.00 4.62 0.00 2.00 2.02 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 27 Y 8.43 4.67 0.00 2.89 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 28 E 8.43 3.75 0.00 1.82 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 1.47 1.55 0.00 29 K 6.83 4.44 0.00 1.32 1.81 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.50 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.28 1.14 7.81 30 G 8.38 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.43 5.37 0.00 1.53 1.55 0.96 0.79 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 32 L 8.69 4.34 0.00 1.69 1.62 0.98 0.69 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 33 A 8.18 4.40 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 34 H 9.09 4.36 0.00 3.10 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.54 4.71 0.00 3.96 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 36 D 8.77 4.25 0.00 2.78 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 37 G 8.34 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.19 4.98 0.00 2.78 2.41 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 39 V 8.17 4.36 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 0.98 0.00 0.00 0.85 0.00 0.00 40 A 7.91 3.93 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 41 L 8.02 3.97 0.00 1.65 1.71 0.94 1.09 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 42 H 8.26 4.22 0.00 3.43 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.27 3.94 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 44 L 7.94 3.88 0.00 1.81 1.79 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.39 3.82 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 1.20 0.00 0.00 46 D 8.27 4.27 0.00 2.90 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 47 A 8.03 4.05 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 48 L 8.12 3.95 0.00 1.88 1.89 0.69 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.93 4.09 0.00 1.91 1.69 0.91 0.85 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 50 G 8.54 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.18 4.68 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.37 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.45 3.67 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 54 L 8.25 4.48 0.00 1.66 1.59 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.22 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 56 D 8.08 4.08 0.00 3.05 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 57 I 9.32 3.87 1.81 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 1.15 1.25 0.82 0.00 0.00 58 G 8.21 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 59 K 7.43 3.66 0.00 1.67 1.92 0.00 1.32 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.41 7.81 60 L 7.55 4.16 0.00 1.50 1.78 0.65 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.37 4.19 0.00 3.38 3.15 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 0.00 0.00 0.00 62 P 0.00 5.24 0.00 2.16 2.14 0.00 3.71 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 1.95 2.11 0.00 63 D 8.43 4.66 0.00 2.67 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 64 T 7.97 3.39 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 1.23 0.00 0.00 65 D 8.01 4.32 0.00 2.63 2.49 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 0.00 66 P 0.00 4.10 0.00 2.01 1.97 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 67 A 7.03 4.18 1.02 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 68 F 8.75 4.73 0.00 3.18 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 69 K 9.45 4.67 0.00 1.87 1.86 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.16 7.81 70 G 8.53 4.08 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 0.00 0.00 0.00 71 A 7.65 4.80 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.41 4.83 0.00 3.03 2.80 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 73 S 9.18 4.22 0.00 3.85 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 74 R 7.89 3.88 0.00 1.95 1.88 0.00 3.26 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 75 E 8.81 4.02 0.00 2.28 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 0.00 2.36 2.48 0.00 76 L 7.78 3.91 0.00 1.81 1.68 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.20 3.94 0.00 1.72 1.81 0.87 1.17 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 78 R 8.02 4.02 0.00 2.10 2.04 0.00 3.23 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 79 E 8.53 3.86 0.00 2.04 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 1.47 1.93 0.00 80 A 8.41 3.94 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 81 W 8.59 4.44 0.00 3.45 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.28 3.73 0.00 2.06 2.12 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 83 R 7.74 3.98 0.00 1.93 1.93 0.00 3.15 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 84 I 7.55 3.82 1.70 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.20 0.74 0.00 0.00 85 Q 8.00 4.21 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 86 A 7.33 3.98 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 87 K 7.99 4.39 0.00 2.26 1.99 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.49 7.81 88 G 7.97 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 89 Y 7.11 4.74 0.00 3.11 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 90 T 8.73 4.96 4.28 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 1.33 0.00 0.00 91 L 9.26 4.37 0.00 1.84 1.76 0.83 0.75 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 92 G 8.74 4.13 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 0.00 93 N 7.46 5.06 0.00 2.72 2.88 0.00 0.00 5.77 7.68 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 94 V 8.67 4.97 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 0.56 0.00 0.00 0.85 0.00 0.00 95 D 8.93 5.23 0.00 2.75 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.07 4.75 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.89 0.00 0.00 97 T 9.08 4.82 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 1.22 0.00 0.00 98 I 8.77 4.49 1.85 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 1.20 0.67 0.88 0.00 0.00 99 I 8.89 5.01 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.92 0.00 0.00 100 A 8.64 4.85 1.18 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 0.00 0.00 101 Q 8.97 4.02 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 102 A 7.32 4.42 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.53 0.00 2.17 2.01 0.00 3.34 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 104 K 8.10 4.15 0.00 1.79 1.81 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.38 7.81 *106 L 8.39 4.37 0.00 1.65 1.67 0.90 0.80 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 0.00 107 P 0.00 4.29 0.00 2.02 2.08 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 108 H 7.93 4.57 0.00 3.20 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.19 3.71 1.95 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 0.45 0.91 0.00 0.00 110 P 0.00 4.31 0.00 2.14 2.29 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 111 Q 7.48 3.61 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.42 0.00 0.00 0.00 0.00 0.00 2.11 1.67 0.00 *113 R 8.14 4.22 0.00 2.08 1.93 0.00 3.25 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 114 V 7.57 3.49 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 0.97 0.00 0.00 0.86 0.00 0.00 115 F 7.77 4.55 0.00 3.13 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 0.00 116 I 7.93 3.64 1.84 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 1.56 0.71 0.81 0.00 0.00 117 A 8.21 3.92 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 0.00 118 E 8.08 3.93 0.00 2.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 119 D 8.16 4.38 0.00 2.59 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 0.00 120 L 8.02 3.40 0.00 1.24 0.79 0.48 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.86 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 0.00 122 C 8.35 4.77 0.00 3.07 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 0.00 123 H 7.86 4.86 0.00 3.22 2.48 0.00 5.89 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 D 8.73 4.53 0.00 2.74 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 0.00 126 D 8.14 4.77 0.00 2.87 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 0.00 127 V 7.41 4.80 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 0.69 0.00 0.00 0.88 0.00 0.00 128 N 9.38 5.10 0.00 2.77 2.74 0.00 0.00 6.13 7.48 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 0.00 129 V 8.24 5.02 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 0.88 0.00 0.00 0.90 0.00 0.00 130 K 8.83 4.86 0.00 1.83 1.84 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.37 7.81 131 A 8.30 5.23 1.18 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 0.00 0.00 132 T 9.07 4.67 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 1.25 0.00 0.00 133 T 8.40 5.08 4.47 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 1.27 0.00 0.00 134 T 8.23 4.46 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 1.11 0.00 0.00 135 E 8.50 3.99 0.00 2.05 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 2.25 2.39 0.00 136 K 8.12 4.24 0.00 1.92 1.89 0.00 1.50 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.41 7.81 137 L 7.71 4.63 0.00 1.73 1.49 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.56 4.13 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 0.00 139 F 8.46 4.59 0.00 3.38 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 0.00 140 T 7.08 4.16 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 0.93 0.00 0.00 141 G 8.02 3.74 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 0.00 0.00 0.00 142 R 7.90 4.55 0.00 1.93 1.97 0.00 3.28 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 143 G 8.30 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 0.00 0.00 0.00 0.00 144 E 8.58 4.28 0.00 2.57 2.14 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 2.45 2.40 0.00 145 G 7.44 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 0.00 146 I 8.00 4.78 1.67 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 1.16 0.58 0.90 0.00 0.00 147 A 8.59 5.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 C 8.35 5.01 0.00 2.90 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 9.40 5.36 0.00 2.00 1.87 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 2.60 2.67 0.00 150 A 8.94 5.08 1.17 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 0.00 0.00 151 V 8.73 4.96 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 0.78 0.00 0.00 0.98 0.00 0.00 152 A 9.08 5.12 1.15 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 0.00 0.00 0.00 0.00 0.00 153 L 8.84 5.10 0.00 1.71 1.51 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.96 5.38 0.00 1.61 1.76 0.75 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 155 I 9.03 4.76 1.93 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 1.20 1.71 0.96 0.00 0.00 156 K 8.55 3.94 0.00 1.64 1.62 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.89 1.02 7.81 * Residues marked with a * may have inaccurate shift predictions.