NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.3558 8.3193 115.2915 58.4813 62.6533 173.4841 13 D 4.5830 7.7922 126.8424 50.9997 42.5580 175.5353 14 L 4.0737 8.5669 119.1096 57.8378 41.7913 181.2235 15 G 3.5538 8.0827 104.9878 47.8121 0.0000 175.6460 16 K 3.9982 8.2112 121.6738 59.0464 32.0639 179.6649 17 K 4.0218 8.1095 118.6847 59.3350 31.8563 179.2355 18 L 3.9389 8.1768 120.9947 58.0306 41.9348 178.9855 19 L 3.9457 8.1428 119.2272 57.6691 41.5129 179.1429 20 E 4.0772 8.2582 119.1441 59.1187 29.5526 178.6317 21 A 4.0301 8.2998 120.8099 54.9423 18.5550 179.4613 22 A 3.8881 8.2189 119.4160 55.3001 18.2952 179.7002 23 R 3.9027 8.1763 115.9628 59.6393 30.3389 178.0407 24 A 4.2864 8.4310 117.6215 52.0232 18.5828 177.3977 25 G 3.6008 7.6357 104.7659 47.0434 0.0000 175.5006 26 Q 4.4224 8.0333 121.4759 53.8644 28.1603 175.3955 27 D 4.4096 8.3692 125.5332 57.0810 41.1247 177.7645 28 D 4.3496 8.0987 119.1630 56.7477 39.3083 178.2863 29 E 3.9089 8.1279 120.4836 58.4534 29.6850 178.6667 30 V 3.5355 7.8804 118.4658 66.1085 31.6513 178.1998 31 R 3.9210 8.1549 117.8304 59.3242 29.9722 179.1445 32 I 3.7219 7.9375 119.5978 64.3986 37.1355 178.5595 33 L 3.9652 8.0015 119.7786 57.9947 41.5622 179.4235 34 M 3.7136 7.9969 118.4141 58.2786 31.5540 178.7514 35 A 4.1848 7.8605 119.6577 54.6404 18.5951 178.3969 36 N 4.7312 7.5305 112.6002 53.0873 38.9133 175.7724 37 G 4.0644 7.6444 107.9028 44.9769 0.0000 174.4057 38 A 3.9493 7.6533 122.7209 51.7172 19.0791 177.4016 39 D 4.4157 8.5231 121.3702 53.8690 41.3077 177.6333 40 V 3.6688 8.4407 127.1235 63.9815 31.6363 176.5636 41 N 4.8018 8.3362 116.8535 52.5378 38.8957 174.5167 42 A 3.8706 7.5212 122.0949 52.9594 18.7328 177.9508 43 N 4.5686 8.2689 119.1459 52.2575 38.6921 173.5611 44 D 4.5015 7.7489 123.4088 52.5570 43.1024 174.1176 45 W 2.8011 9.1721 123.3422 57.3107 27.4903 174.3483 46 F 4.0690 8.6237 120.1762 57.6724 35.2901 176.3876 47 G 3.9558 8.0433 107.2634 46.2043 0.0000 173.3144 48 I 4.1427 7.4556 120.9656 60.4653 37.5671 176.6296 49 T 4.8832 8.1197 117.4436 58.9062 72.0750 173.6442 50 P 4.2170 0.0000 0.0000 65.7901 31.2194 178.6856 51 L 3.9331 7.8454 118.5359 58.3660 42.0189 178.4569 52 H 4.1786 7.9512 115.6868 58.9734 28.2357 177.8069 53 L 4.0896 7.8273 120.4445 57.8383 41.4921 179.7652 54 V 3.6003 8.0347 118.3628 65.7902 31.5623 178.2570 55 V 3.5800 7.9557 118.1514 66.0446 31.1773 177.2504 56 N 4.3361 8.3942 116.0450 56.7785 38.7517 175.6715 57 N 4.7610 7.8202 115.0451 52.9978 39.0843 176.0326 58 G 3.9037 7.8088 107.7783 46.3508 0.0000 174.2769 59 H 4.5450 8.0223 119.4023 53.7048 27.3071 175.8783 60 L 3.9203 8.2501 125.8983 57.9768 42.6736 178.7981 61 E 3.9470 8.3582 118.4459 59.5091 29.5642 178.5580 62 I 3.7691 7.3293 118.6965 63.7512 37.9377 177.6770 63 I 3.6463 7.4343 120.7300 64.6349 36.8711 178.0974 64 E 3.8063 8.0148 119.2464 58.9208 29.2673 179.5308 65 V 3.6788 7.8023 118.9626 65.0027 31.3074 178.4012 66 L 4.0935 7.9974 119.5920 57.3917 41.4355 179.2245 67 L 3.9289 7.9169 119.0060 57.7959 41.2662 179.4967 68 K 3.9830 8.0763 118.5857 59.5007 32.0864 177.4268 69 Y 4.3439 7.6914 114.3602 57.5550 37.8542 175.1071 70 A 3.7192 8.3081 121.4497 53.0237 16.4456 178.9487 71 A 4.0316 7.9376 122.2184 53.5869 19.2975 178.2204 72 D 4.5806 8.5729 122.0552 53.2680 40.9666 177.4916 73 V 3.7259 8.4309 127.2166 63.8459 31.6664 176.6056 74 N 4.7678 8.7513 116.7341 52.5109 38.8659 174.5951 75 A 3.9902 7.8013 122.6577 52.8443 18.9793 177.0043 76 S 5.0366 8.6162 117.2852 56.3964 64.7668 173.8124 77 D 5.3484 8.2560 126.2191 51.8307 41.4452 176.6665 78 K 4.3940 8.7712 118.2664 57.9832 32.4639 177.6509 79 S 4.0836 8.7287 115.7857 57.6149 62.9173 175.7735 80 G 4.1320 7.3107 108.1407 45.2024 0.0000 174.0471 81 W 3.9783 7.9207 121.1876 56.2633 29.6526 176.3097 82 T 5.0615 7.7581 115.7424 59.4101 71.1671 173.7191 83 P 4.2358 0.0000 0.0000 65.7560 31.1892 178.7117 84 L 3.8814 7.8438 118.6299 58.2076 42.0350 178.4500 85 H 3.7073 7.9537 116.3039 58.8575 28.5346 177.7138 86 L 4.1507 7.8525 120.3332 57.8227 41.4330 179.5437 87 A 3.9411 8.2951 120.8611 54.8968 18.0585 179.5564 88 A 3.8383 7.6645 118.5928 55.3151 18.5191 178.8401 89 Y 4.3810 7.7434 116.8995 61.2016 39.0173 178.5334 90 R 3.6689 8.0725 117.3850 56.3965 30.6609 176.5904 91 G 3.3567 7.5659 106.1828 47.2054 0.0000 174.9946 92 H 4.7894 7.5891 117.0620 53.4198 30.3714 174.4092 93 L 3.9183 8.4402 128.5384 58.1527 42.0480 178.2026 94 E 3.9661 8.3060 116.9181 59.9239 29.1583 179.2440 95 I 3.7617 7.6801 120.2662 63.8571 37.3792 178.5039 96 V 3.5719 7.7672 120.0912 64.7750 31.0132 178.2833 97 E 3.8302 8.2203 119.0913 59.2896 29.0842 179.5628 98 V 3.6979 7.6146 117.6545 65.9893 31.6095 178.0621 99 L 4.0435 7.9351 118.8580 57.3971 41.4471 179.4129 100 L 3.6932 7.8400 119.0323 57.6543 41.2365 179.0946 101 K 3.9564 7.7330 118.1393 59.6336 31.9633 177.0515 102 Y 4.5567 7.5415 113.8571 57.4801 38.1529 175.9921 103 G 3.9339 8.1725 107.2868 45.5656 0.0000 174.0434 104 A 4.0122 7.4863 122.0161 51.2973 18.8908 178.1804 105 D 4.4954 8.2072 122.9711 53.7773 40.4983 177.3811 106 V 3.7458 8.3652 127.1819 63.5952 31.7718 176.4516 107 N 4.9627 7.8641 118.0075 52.5987 39.2880 174.5263 108 A 4.3361 7.7114 121.3496 52.0519 19.4690 177.2777 109 M 5.3376 8.5347 121.4794 53.6814 34.8212 176.2180 110 D 5.0010 9.1355 124.2402 53.2134 41.7067 176.0572 111 Y 4.7827 7.6868 113.4340 59.5732 38.7335 176.0746 112 Q 4.2925 8.4064 120.0422 56.1328 29.4727 176.7116 113 G 4.0225 8.2583 104.9825 46.4275 0.0000 173.6643 114 Y 4.0536 8.6531 118.1673 58.0182 38.4639 175.3964 115 T 5.6408 8.0923 114.1455 58.6113 72.9655 173.5361 116 P 4.0079 0.0000 0.0000 65.3923 31.1695 178.5423 117 L 3.8630 7.8188 118.6962 58.5499 41.9183 178.4147 118 H 3.9633 7.5828 115.1966 59.1590 28.5275 177.7713 119 L 4.2603 7.8159 120.0039 57.4734 41.4056 179.2512 120 A 4.1448 8.1364 120.7035 54.6714 18.2858 179.4839 121 A 3.9846 7.9464 118.7767 55.1009 18.4451 179.5094 122 E 4.1592 7.8800 116.0563 59.8600 29.6019 178.9443 123 D 4.7038 8.2157 116.9978 54.4309 40.7629 177.8567 124 G 4.1697 7.7845 107.1916 46.2589 0.0000 173.6698 125 H 4.2623 7.6331 117.3096 55.6761 28.4323 176.4387 126 L 4.0268 8.5636 125.6428 57.6128 41.8780 179.0381 127 E 4.5544 8.0127 111.4588 56.4646 29.8202 177.5665 128 I 4.1560 7.6111 121.9978 63.5528 37.9203 178.0646 129 V 3.6111 7.4833 119.6278 64.6120 30.6745 178.2730 130 E 3.8938 8.0392 118.7727 59.3535 29.4612 179.5225 131 V 3.7538 7.7396 117.5282 66.0872 31.8184 177.8011 132 L 4.0468 8.1300 118.7996 57.8305 41.4073 179.5880 133 L 4.0408 7.8823 119.2021 57.5955 41.3507 179.6794 134 K 4.0861 7.9750 117.8463 59.7741 32.5944 177.9297 135 Y 4.2946 7.7586 115.6102 57.6208 37.9133 175.5602 136 G 3.6677 8.1093 107.4015 46.0725 0.0000 174.8795 137 A 4.1179 7.5587 123.6875 50.3621 17.1725 177.4500 138 D 4.3269 8.5512 121.9978 55.4170 41.2585 177.7430 139 V 3.7454 8.2721 126.8349 63.9557 31.9463 177.3174 140 N 4.2969 8.5335 117.1445 55.6918 38.5649 174.5471 141 A 3.8399 7.1376 119.5959 51.9784 18.1175 176.4567 142 Q 4.5717 8.4351 121.4397 54.4725 30.7919 175.9708 143 D 4.7485 7.8807 120.1588 52.4974 41.6856 176.6556 144 K 4.0344 8.3355 118.2000 59.9138 32.1328 178.4604 145 F 4.6720 8.1968 113.0157 57.1425 38.1048 176.4033 146 G 4.0460 7.8505 114.0262 46.5630 0.0000 175.1121 147 K 3.9941 6.6491 120.0673 55.3063 30.1368 176.6112 148 T 4.0804 8.1368 119.1420 61.7573 67.8453 174.3176 149 A 4.0019 8.4028 122.6473 54.7101 18.1235 179.3032 150 F 4.0785 8.2429 119.1075 61.8041 39.3031 176.5855 151 D 4.6780 7.7883 114.0867 55.7055 39.3556 177.3385 152 I 4.4067 7.4428 119.6151 61.3400 38.0503 177.3284 153 S 4.4487 8.2039 115.5900 61.1079 62.1168 175.7816 154 I 3.9469 7.7988 115.3466 63.6675 37.4305 177.7471 155 D 4.3980 8.2024 119.4909 56.8101 40.8716 176.7953 156 N 4.5549 7.5883 114.4009 52.7322 39.3940 174.9507 157 G 3.8269 7.4574 106.2307 46.6915 0.0000 174.3065 158 N 4.8204 7.8822 117.0897 51.5613 39.3915 175.7299 159 E 4.9288 8.4440 125.0743 56.6448 30.1021 177.1257 160 D 4.7251 8.0148 116.6670 56.1867 43.8629 178.6670 161 L 3.9149 7.9604 117.9851 57.7254 42.0505 179.3913 162 A 3.8078 7.4873 119.1875 55.3160 18.4169 178.1031 163 E 4.4713 7.7476 111.0125 56.6143 29.3869 177.1586 164 I 4.8096 7.1820 110.9030 59.7217 38.1348 176.5382 165 L 4.4584 7.4798 118.5391 55.2000 42.6298 172.2555 166 Q 4.5049 7.4631 120.3875 54.6143 32.5599 176.9850 *167 K 4.1054 8.4645 118.0131 54.8936 32.4458 173.4115 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 12 S 8.32 4.36 0.00 3.86 3.88 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 13 D 7.79 4.58 0.00 3.01 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 14 L 8.57 4.07 0.00 1.68 1.74 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.08 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.00 0.00 2.00 1.94 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.77 7.81 17 K 8.11 4.02 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 18 L 8.18 3.94 0.00 1.75 1.86 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.14 3.95 0.00 1.89 1.65 0.57 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.26 4.08 0.00 2.21 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 2.34 2.40 0.00 21 A 8.30 4.03 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 22 A 8.22 3.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.18 3.90 0.00 2.10 2.25 0.00 3.25 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 24 A 8.43 4.29 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 25 G 7.64 3.60 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 26 Q 8.03 4.42 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.54 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 27 D 8.37 4.41 0.00 2.72 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 28 D 8.10 4.35 0.00 2.87 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 29 E 8.13 3.91 0.00 2.10 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 2.38 2.42 0.00 30 V 7.88 3.54 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 0.92 0.00 0.00 0.95 0.00 0.00 31 R 8.15 3.92 0.00 2.05 2.00 0.00 3.21 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 1.69 1.93 0.00 32 I 7.94 3.72 1.98 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 1.53 1.16 0.90 0.00 0.00 33 L 8.00 3.97 0.00 1.87 1.64 0.94 0.97 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 34 M 8.00 3.71 0.00 0.51 1.77 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.62 0.00 35 A 7.86 4.18 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 36 N 7.53 4.73 0.00 2.91 2.84 0.00 0.00 7.23 7.53 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 37 G 7.64 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 38 A 7.65 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.52 4.42 0.00 2.66 2.53 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 40 V 8.44 3.67 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 0.87 0.00 0.00 0.94 0.00 0.00 41 N 8.34 4.80 0.00 2.69 2.82 0.00 0.00 6.91 7.11 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 42 A 7.52 3.87 1.24 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 43 N 8.27 4.57 0.00 2.66 2.68 0.00 0.00 6.05 8.06 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 44 D 7.75 4.50 0.00 2.12 2.56 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 0.00 0.00 0.00 0.00 45 W 9.17 2.80 0.00 3.43 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 46 F 8.62 4.07 0.00 3.50 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 47 G 8.04 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 0.00 0.00 0.00 48 I 7.46 4.14 1.97 0.00 0.00 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 1.36 0.87 0.98 0.00 0.00 49 T 8.12 4.88 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 1.23 0.00 0.00 50 P 0.00 4.22 0.00 2.14 2.11 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 51 L 7.85 3.93 0.00 1.72 1.61 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.95 4.18 0.00 3.49 3.42 0.00 5.87 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 53 L 7.83 4.09 0.00 1.87 1.77 0.97 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.03 3.60 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 1.00 0.00 0.00 0.92 0.00 0.00 55 V 7.96 3.58 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 1.03 0.00 0.00 0.94 0.00 0.00 56 N 8.39 4.34 0.00 2.96 3.12 0.00 0.00 7.26 7.37 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 57 N 7.82 4.76 0.00 2.83 2.85 0.00 0.00 7.14 7.32 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 58 G 7.81 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 0.00 0.00 0.00 59 H 8.02 4.54 0.00 3.40 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.25 3.92 0.00 1.70 1.64 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.36 3.95 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 2.39 2.38 0.00 62 I 7.33 3.77 2.02 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 1.53 1.07 1.06 0.00 0.00 63 I 7.43 3.65 2.05 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 1.49 0.65 0.79 0.00 0.00 64 E 8.01 3.81 0.00 2.09 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 2.12 2.28 0.00 65 V 7.80 3.68 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 0.89 0.00 0.00 1.16 0.00 0.00 66 L 8.00 4.09 0.00 1.85 1.75 0.90 0.63 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 67 L 7.92 3.93 0.00 1.23 1.43 0.15 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.08 3.98 0.00 1.86 2.04 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.39 7.81 69 Y 7.69 4.34 0.00 3.13 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 70 A 8.31 3.72 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 71 A 7.94 4.03 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 72 D 8.57 4.58 0.00 2.74 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 73 V 8.43 3.73 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 0.89 0.00 0.00 0.93 0.00 0.00 74 N 8.75 4.77 0.00 2.79 2.88 0.00 0.00 6.91 7.35 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 75 A 7.80 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.62 5.04 0.00 3.90 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 77 D 8.26 5.35 0.00 3.16 2.61 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 0.00 0.00 0.00 78 K 8.77 4.39 0.00 1.98 2.03 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.50 7.81 79 S 8.73 4.08 0.00 3.48 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.31 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 81 W 7.92 3.98 0.00 3.62 3.20 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 82 T 7.76 5.06 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 1.29 0.00 0.00 83 P 0.00 4.24 0.00 2.12 2.08 0.00 3.69 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 2.17 1.88 0.00 84 L 7.84 3.88 0.00 1.70 1.61 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.95 3.71 0.00 2.93 2.05 0.00 5.87 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 86 L 7.85 4.15 0.00 1.97 1.86 1.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.30 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 88 A 7.66 3.84 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 89 Y 7.74 4.38 0.00 2.79 3.23 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 90 R 8.07 3.67 0.00 1.61 1.54 0.00 3.46 0.00 0.00 2.93 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 91 G 7.57 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 0.00 0.00 0.00 92 H 7.59 4.79 0.00 3.15 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.44 3.92 0.00 1.69 1.68 1.08 1.01 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 94 E 8.31 3.97 0.00 2.23 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 2.37 2.42 0.00 95 I 7.68 3.76 2.03 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 1.71 0.80 0.91 0.00 0.00 96 V 7.77 3.57 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 0.93 0.00 0.00 0.82 0.00 0.00 97 E 8.22 3.83 0.00 2.21 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 2.35 2.51 0.00 98 V 7.61 3.70 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.06 0.00 0.00 99 L 7.94 4.04 0.00 1.82 1.65 0.88 0.54 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 0.00 100 L 7.84 3.69 0.00 1.08 0.13 0.45 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.73 3.96 0.00 1.99 2.11 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.57 7.81 102 Y 7.54 4.56 0.00 3.02 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 0.00 103 G 8.17 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.49 4.01 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 0.00 105 D 8.21 4.50 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.75 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 0.97 0.00 0.00 107 N 7.86 4.96 0.00 2.71 2.84 0.00 0.00 6.95 8.21 0.00 0.00 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 A 7.71 4.34 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 0.00 109 M 8.53 5.34 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 110 D 9.14 5.00 0.00 3.24 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 Y 7.69 4.78 0.00 3.02 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 0.00 112 Q 8.41 4.29 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.72 0.00 0.00 0.00 0.00 0.00 2.85 2.64 0.00 113 G 8.26 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 0.00 114 Y 8.65 4.05 0.00 3.40 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 0.00 115 T 8.09 5.64 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 116 P 0.00 4.01 0.00 2.04 2.11 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 1.95 1.74 0.00 117 L 7.82 3.86 0.00 1.63 1.55 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.58 3.96 0.00 3.56 2.71 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.82 4.26 0.00 1.72 1.70 0.11 1.29 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 0.00 120 A 8.14 4.14 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 0.00 121 A 7.95 3.98 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 0.00 122 E 7.88 4.16 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.87 0.00 123 D 8.22 4.70 0.00 3.05 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 0.00 124 G 7.78 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 0.00 0.00 0.00 125 H 7.63 4.26 0.00 3.09 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.56 4.03 0.00 1.70 1.69 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.01 4.55 0.00 2.08 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 2.29 2.24 0.00 128 I 7.61 4.16 2.02 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 1.68 0.61 0.88 0.00 0.00 129 V 7.48 3.61 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 0.78 0.00 0.00 0.89 0.00 0.00 130 E 8.04 3.89 0.00 2.07 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 2.32 2.31 0.00 131 V 7.74 3.75 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 1.13 0.00 0.00 0.98 0.00 0.00 132 L 8.13 4.05 0.00 1.71 1.68 0.87 0.40 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 0.00 133 L 7.88 4.04 0.00 1.90 1.70 0.89 0.65 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 0.00 134 K 7.98 4.09 0.00 1.84 1.93 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.38 7.81 135 Y 7.76 4.29 0.00 3.08 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 0.00 136 G 8.11 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 0.00 137 A 7.56 4.12 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 0.00 138 D 8.55 4.33 0.00 2.76 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 0.00 139 V 8.27 3.75 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 0.75 0.00 0.00 0.82 0.00 0.00 140 N 8.53 4.30 0.00 3.07 2.93 0.00 0.00 6.86 7.35 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 0.00 141 A 7.14 3.84 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 0.00 142 Q 8.44 4.57 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 143 D 7.88 4.75 0.00 2.95 2.32 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 0.00 144 K 8.34 4.03 0.00 1.97 2.01 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.68 1.64 7.81 145 F 8.20 4.67 0.00 3.28 3.26 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 0.00 146 G 7.85 4.05 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 0.00 0.00 0.00 147 K 6.65 3.99 0.00 1.39 1.76 0.00 2.13 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.68 1.44 7.81 148 T 8.14 4.08 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 1.34 0.00 0.00 149 A 8.40 4.00 1.16 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 0.00 0.00 150 F 8.24 4.08 0.00 3.08 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 0.00 151 D 7.79 4.68 0.00 2.84 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 0.00 152 I 7.44 4.41 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.07 1.03 0.00 0.00 153 S 8.20 4.45 0.00 3.91 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.80 3.95 1.91 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 1.70 0.72 0.98 0.00 0.00 155 D 8.20 4.40 0.00 2.73 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 0.00 156 N 7.59 4.55 0.00 2.93 2.98 0.00 0.00 6.96 7.53 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 0.00 157 G 7.46 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 0.00 0.00 0.00 158 N 7.88 4.82 0.00 2.96 2.77 0.00 0.00 7.08 8.85 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 0.00 159 E 8.44 4.93 0.00 1.95 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 2.30 2.54 0.00 160 D 8.01 4.73 0.00 2.67 2.61 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 0.00 0.00 0.00 161 L 7.96 3.91 0.00 1.69 1.65 0.91 0.96 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 0.00 162 A 7.49 3.81 1.44 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 0.00 0.00 163 E 7.75 4.47 0.00 2.07 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 2.38 2.42 0.00 164 I 7.18 4.81 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.95 0.00 0.00 165 L 7.48 4.46 0.00 1.57 1.17 0.51 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 7.46 4.50 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.42 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 *167 K 8.46 4.11 0.00 1.54 1.66 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.