NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4847 8.1933 115.5596 58.2145 64.1754 171.9578 5 I 4.8854 8.4044 127.9560 57.9781 38.7615 173.4637 6 R 4.7927 9.5601 123.8576 54.3593 33.9967 173.7411 7 D 4.9802 8.7042 119.2679 54.3202 41.3615 176.6207 8 A 4.4281 9.3104 125.4109 52.1153 19.3412 177.0483 9 G 4.2165 10.3879 110.1078 42.9907 0.0000 174.3802 10 V 2.9320 8.2565 117.6815 65.9560 30.8906 177.7716 11 A 4.0192 7.8519 118.7733 54.7812 18.4489 178.4109 12 D 4.5075 8.1269 116.5176 55.8179 41.0940 178.5352 13 L 3.9028 7.6740 120.5677 57.3078 41.6247 177.5271 14 P 4.3888 0.0000 0.0000 65.3593 31.2203 178.8806 15 G 3.6029 7.9803 104.1395 47.8821 0.0000 175.6703 16 I 3.5057 7.9009 122.6206 63.7335 36.9557 178.2199 17 L 3.8401 8.3550 121.3402 58.0898 41.8633 178.9033 18 A 4.0045 7.8999 120.4565 55.2228 18.3379 179.6913 19 I 3.6764 7.6189 117.9455 64.6142 37.1653 177.8174 20 Y 3.7340 8.2474 120.5995 60.9751 38.6031 178.1466 21 N 4.2920 8.6394 117.5366 56.2269 38.6134 177.0079 22 D 4.3581 8.3275 120.2708 57.5437 40.9423 178.9247 23 A 3.9982 7.9892 121.0280 54.9171 18.0936 179.6824 24 V 3.4603 7.4878 116.2692 66.2389 31.6276 178.2666 25 G 3.8071 7.9843 103.9142 46.8200 0.0000 173.9439 26 N 4.9835 8.2709 115.1014 52.7934 40.1313 173.7807 27 T 4.8332 7.8565 107.2910 60.3681 72.0742 173.3579 28 T 4.6200 8.5389 108.8573 61.6879 68.9470 175.8199 29 A 4.2498 8.3690 127.7790 54.6607 18.6403 178.8331 30 I 4.5905 7.6853 115.7112 59.6288 40.4576 176.3100 31 W 4.7983 8.6854 128.7967 56.3531 28.4274 175.8696 32 N 5.0479 7.6928 115.3509 51.9779 41.6130 173.3292 33 E 4.3712 8.7535 122.5320 56.1302 30.8482 175.6622 34 T 4.5325 7.8165 110.1958 58.8204 70.3314 172.9711 35 P 4.4281 0.0000 0.0000 62.5826 32.0236 175.9202 36 V 4.3862 8.1738 113.9947 59.6744 33.9197 174.8831 37 D 4.7838 8.0244 120.8264 51.6901 41.4989 177.1688 38 L 3.9020 8.4043 119.7037 58.2737 41.8228 178.4851 39 A 4.8359 7.9212 121.5791 54.5275 18.3081 178.9218 40 N 4.2338 8.4980 115.5457 57.1405 39.0208 177.4720 41 R 4.0440 7.6411 118.6127 59.0969 30.0586 179.0452 42 Q 4.0184 8.6219 118.3761 58.9916 28.6813 178.7666 43 A 4.0716 8.2774 121.8049 54.7868 18.4172 179.4743 44 W 4.1225 8.3288 126.9710 60.5103 30.7981 177.9638 45 F 3.3265 8.7564 120.9124 61.3310 38.8023 176.8741 46 D 4.3929 8.4461 118.5411 57.5887 40.5545 178.9654 47 T 3.8129 8.0461 116.3704 66.5893 68.4750 176.9466 48 R 3.7881 7.5347 119.6517 59.0698 30.0960 178.8286 49 A 3.7351 7.5029 120.4278 55.3827 18.1235 180.0211 50 R 3.8817 7.8442 115.0604 58.9705 30.1826 178.6285 51 Q 4.0738 7.7311 116.3560 56.0350 28.9003 176.9508 52 G 3.7300 7.3578 107.2426 45.6962 0.0000 172.6987 53 Y 4.8780 7.3620 116.6598 55.8856 38.8832 173.9335 54 P 4.4356 0.0000 0.0000 62.5667 33.6413 174.9194 55 I 5.0116 8.0595 121.4929 59.7453 40.2840 174.3997 56 L 5.3867 9.5296 127.4742 52.8412 45.1494 175.9003 57 V 5.0961 8.9435 120.7499 59.9324 34.9072 174.3277 58 A 4.8649 9.0479 126.2429 51.3682 19.7926 176.2937 59 S 5.2123 9.9121 117.1673 56.0768 66.6183 173.2463 60 D 4.9149 8.4708 123.3023 51.4859 41.3456 177.0614 61 A 4.0332 8.4501 120.9458 55.0482 18.4714 178.9134 62 A 4.0218 7.3947 115.5980 54.3367 18.5206 178.4760 63 G 4.3217 8.7784 103.6154 44.6654 0.0000 173.3069 64 E 4.1195 8.3793 118.5167 55.2459 30.5248 176.0566 65 V 4.0499 8.3369 122.9324 62.7663 31.4371 175.4301 66 L 4.4094 9.0661 128.4432 54.7571 42.4446 176.6339 67 G 4.6512 7.4629 106.6362 46.6792 0.0000 171.0526 68 Y 5.6751 8.6198 117.6963 56.2455 42.1368 173.4464 69 A 5.1186 9.3400 119.9378 51.4129 23.1769 175.2401 70 S 5.0692 9.2292 114.0983 58.2504 67.0256 172.3756 71 Y 5.3656 7.9292 119.5488 55.9673 41.9309 174.4207 72 G 3.9521 8.6759 105.6031 45.3494 0.0000 171.7996 73 D 4.9302 8.8693 119.4675 54.5438 41.5281 176.2987 74 W 4.6407 8.9488 133.1776 59.2564 31.3596 176.5234 75 R 4.3092 7.4872 115.0080 53.4864 33.1541 174.0984 76 P 4.5960 0.0000 0.0000 62.3084 31.1106 176.1531 77 F 4.9914 7.7959 116.3046 56.1090 43.5083 176.4581 78 E 4.1077 9.1907 121.9615 59.3764 29.4367 179.3040 79 G 3.5652 8.2780 106.9961 47.4785 0.0000 173.7953 80 F 4.8629 8.4610 118.5438 57.1643 39.1435 177.8922 81 R 4.1435 7.9367 119.6807 59.0763 29.3184 177.7244 82 G 3.9566 8.1985 104.2420 47.2564 0.0000 173.0771 83 T 5.2853 8.3725 118.0911 61.7757 70.8286 174.0429 84 V 4.7144 8.4476 118.7099 59.4377 35.6999 174.4660 85 E 4.9210 8.9994 123.8821 54.8491 31.6360 174.9730 86 H 5.5992 8.6375 122.5789 54.5553 31.2949 174.3029 87 S 4.5928 9.1907 114.2113 56.8356 67.4324 173.5013 88 V 4.6140 7.6468 121.6157 61.3189 34.3870 174.0592 89 Y 4.7068 8.7539 125.0314 56.0809 41.4605 174.4659 90 V 4.7344 8.3619 123.3561 60.5480 34.2089 175.1135 91 R 4.0111 8.9104 128.2662 56.6563 30.4789 176.8924 92 D 4.3574 9.0290 125.3207 57.3875 41.3053 176.7206 93 D 4.6543 8.0533 115.2921 54.0516 39.7953 176.3372 94 Q 4.5867 8.0622 118.0481 55.6931 29.6040 175.9997 95 R 4.0332 7.8918 118.0451 57.0410 30.6127 176.2584 96 G 4.1483 8.6408 105.6240 47.1326 0.0000 174.3417 97 K 4.4222 7.4922 112.5530 55.3552 33.4011 177.6830 98 G 3.9818 8.3038 107.0907 46.0712 0.0000 175.8093 99 L 4.1263 7.8478 120.9430 57.3941 41.5847 179.1540 100 G 3.6345 8.0823 105.3086 47.9259 0.0000 175.3891 101 V 3.5752 7.7775 120.8445 65.5947 31.4722 177.6073 102 Q 4.0061 8.0484 117.4894 59.2475 28.5767 179.3568 103 L 3.9993 8.1401 119.7186 57.7035 41.6168 179.4123 104 L 3.8926 7.9974 120.2564 58.1149 42.0441 178.4794 105 Q 3.9611 8.4787 119.7616 59.4098 28.9090 178.5574 106 A 4.0217 8.0615 121.5335 55.0669 18.3679 179.3350 107 L 4.0486 8.2397 119.0447 58.3544 42.0809 179.2706 108 I 3.7019 8.1907 120.1501 64.3638 37.0551 177.9153 109 E 3.9225 8.2375 120.1605 59.3147 29.4509 178.9127 110 R 3.9399 8.1682 118.4751 59.3604 30.2168 178.2901 111 A 4.4613 8.3404 122.0831 54.6862 18.2594 179.6869 112 R 3.8291 8.2795 116.4999 59.5825 30.0048 179.1570 113 A 4.0399 7.9517 118.8475 55.0698 18.4242 178.7717 114 Q 4.3570 8.1272 113.8279 55.4704 29.0279 176.2277 115 G 3.8836 8.1602 108.3431 46.5536 0.0000 174.4454 116 L 4.3726 7.7709 119.0023 54.4411 42.8255 176.1723 117 H 4.6953 9.2232 119.4403 57.5451 32.3230 173.5193 118 V 4.8354 6.9615 115.9001 60.3633 35.4135 173.4886 *120 V 4.1700 8.2860 117.3567 62.9528 32.7882 174.9677 121 A 4.7641 8.5709 128.2648 50.0008 21.6900 174.9537 122 A 4.7904 8.4469 123.6585 50.2577 21.0048 175.9439 123 I 4.3829 8.4020 123.6838 59.1972 40.8725 175.1102 124 E 4.6293 8.9265 127.8316 56.8250 29.8977 177.9323 125 S 4.1261 9.1228 123.8343 61.6609 63.0585 175.8755 126 G 3.7624 8.3944 107.2728 46.9719 0.0000 174.0695 127 N 4.6037 8.2567 120.6881 52.0681 37.4641 174.8922 128 A 4.0203 8.1544 124.5806 54.4775 18.7793 178.9316 129 A 3.9065 7.9414 118.8344 55.4838 18.5444 179.7139 130 S 4.0292 8.2363 111.3291 61.3857 62.4795 176.2751 131 I 3.7767 7.8815 122.7802 64.4073 36.8862 178.6676 132 G 3.6004 8.3495 106.6880 47.4958 0.0000 175.3630 133 L 3.9386 8.1280 122.9768 58.4680 42.0947 178.9519 134 H 4.0008 8.1830 115.9870 58.7277 28.5561 177.7329 135 R 4.2754 8.1147 121.9017 59.0686 29.6653 178.8117 136 R 4.0570 8.0306 116.8606 58.4830 30.0232 177.9375 137 L 4.6334 7.4216 115.8090 54.2373 41.9374 177.3404 138 G 3.9385 7.9650 107.1259 45.0427 0.0000 174.1980 139 F 4.4285 8.4224 118.9363 57.4589 40.0456 174.2284 140 E 4.9524 8.7487 121.3177 54.2235 32.6306 176.0783 141 I 4.2338 8.4849 124.2507 61.7259 37.4278 176.0601 142 S 4.7134 9.4396 119.7505 57.5337 64.5003 174.0844 143 G 4.4453 7.7575 109.2449 44.8161 0.0000 171.8143 144 Q 5.0637 8.4663 121.3873 52.5963 31.9998 172.1547 *146 P 4.3165 0.0000 0.0000 63.8977 32.2270 176.5771 147 Q 3.7806 9.1781 120.1080 57.1497 26.6958 175.3031 148 V 3.8751 7.4336 111.9872 62.7961 32.1681 176.0201 149 G 4.6626 8.1877 108.3872 43.9608 0.0000 171.0875 150 Q 4.7721 8.1017 115.3696 54.5477 31.6467 174.0281 151 K 3.9829 8.4310 118.7853 56.4582 35.2842 175.0959 152 F 3.5454 8.9900 120.6492 58.5754 36.9028 176.2914 153 G 3.8150 8.3590 105.4656 45.9130 0.0000 174.1993 154 R 4.4210 7.5247 114.8120 53.1357 32.5298 174.5849 155 W 4.9298 8.2054 119.0924 57.0785 29.8578 175.5272 156 L 4.8343 9.0289 122.9088 53.0999 45.0591 175.4846 157 D 5.1408 8.6867 121.2990 52.9928 43.8048 174.9202 158 L 5.1833 8.4478 122.2078 53.6335 45.4603 174.8681 159 T 4.6230 8.8665 122.6227 62.0319 71.1039 174.5365 160 F 5.5616 8.8919 125.6258 55.5454 41.8941 174.5171 *162 Q 4.4908 8.2891 116.3929 56.3388 30.5362 174.1655 163 L 4.3418 7.6559 120.9068 52.8503 44.3541 174.8814 164 N 4.7224 8.4315 125.0468 52.9178 39.0836 174.6823 165 L 4.1223 8.6703 126.6644 56.8351 42.5368 177.6235 166 D 4.6768 8.0576 117.9553 53.0658 42.3714 173.1466 167 P 4.6339 0.0000 0.0000 62.8787 32.0717 177.8160 168 T 4.1456 7.6196 108.3904 62.4504 68.4083 175.3192 169 R 4.2076 7.6718 123.5797 55.2732 28.5702 176.5613 170 S 4.3538 8.4303 120.8126 60.5093 63.3013 174.7316 171 A 4.6850 7.2223 121.3416 49.1698 22.1343 174.0373 172 P 4.3470 0.0000 0.0000 63.2166 31.1096 176.3386 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 4 S 8.19 4.48 0.00 3.95 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 5 I 8.40 4.89 1.91 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 1.43 0.40 0.96 0.00 0.00 6 R 9.56 4.79 0.00 1.88 2.01 0.00 2.81 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 7 D 8.70 4.98 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 9.31 4.43 1.49 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 0.00 0.00 9 G 10.39 4.22 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 0.00 0.00 0.00 10 V 8.26 2.93 1.94 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 0.91 0.00 0.00 0.59 0.00 0.00 11 A 7.85 4.02 1.28 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 0.00 0.00 12 D 8.13 4.51 0.00 2.81 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 13 L 7.67 3.90 0.00 1.68 1.62 0.52 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.39 0.00 2.13 2.07 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 15 G 7.98 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 16 I 7.90 3.51 1.81 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 0.89 0.69 0.02 0.00 0.00 17 L 8.35 3.84 0.00 1.71 1.85 1.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.90 4.00 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 19 I 7.62 3.68 2.11 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 1.08 0.00 0.00 20 Y 8.25 3.73 0.00 2.94 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 21 N 8.64 4.29 0.00 2.89 2.87 0.00 0.00 7.11 7.64 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 22 D 8.33 4.36 0.00 2.97 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 23 A 7.99 4.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.49 3.46 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 0.83 0.00 0.00 0.48 0.00 0.00 25 G 7.98 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 26 N 8.27 4.98 0.00 2.82 2.82 0.00 0.00 6.81 6.86 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 27 T 7.86 4.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 28 T 8.54 4.62 4.48 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 1.36 0.00 0.00 29 A 8.37 4.25 1.48 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 0.00 0.00 30 I 7.69 4.59 1.68 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.82 0.00 0.00 31 W 8.69 4.80 0.00 3.24 3.09 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 32 N 7.69 5.05 0.00 2.66 2.63 0.00 0.00 7.17 7.65 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 33 E 8.75 4.37 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 34 T 7.82 4.53 4.25 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 1.20 0.00 0.00 35 P 0.00 4.43 0.00 2.08 2.04 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 36 V 8.17 4.39 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 0.88 0.00 0.00 0.86 0.00 0.00 37 D 8.02 4.78 0.00 2.88 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 38 L 8.40 3.90 0.00 1.75 1.69 0.87 1.07 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 39 A 7.92 4.84 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 40 N 8.50 4.23 0.00 2.85 2.99 0.00 0.00 7.19 7.17 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 41 R 7.64 4.04 0.00 1.95 1.99 0.00 2.31 0.00 0.00 2.46 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.54 0.00 42 Q 8.62 4.02 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 43 A 8.28 4.07 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 44 W 8.33 4.12 0.00 3.39 3.38 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 45 F 8.76 3.33 0.00 3.26 3.14 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 46 D 8.45 4.39 0.00 2.96 2.72 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 47 T 8.05 3.81 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 1.23 0.00 0.00 48 R 7.53 3.79 0.00 1.33 1.60 0.00 3.37 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.03 0.00 49 A 7.50 3.74 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.84 3.88 0.00 1.95 1.94 0.00 3.13 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 51 Q 7.73 4.07 0.00 2.04 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.09 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 52 G 7.36 3.73 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 0.00 0.00 0.00 53 Y 7.36 4.88 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.44 0.00 1.97 2.04 0.00 2.51 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.62 0.00 55 I 8.06 5.01 1.75 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 1.02 0.34 1.22 0.00 0.00 56 L 9.53 5.39 0.00 1.62 1.61 0.97 0.70 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 57 V 8.94 5.10 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 0.80 0.00 0.00 1.07 0.00 0.00 58 A 9.05 4.86 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 59 S 9.91 5.21 0.00 3.86 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 60 D 8.47 4.91 0.00 2.95 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 61 A 8.45 4.03 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 62 A 7.39 4.02 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 63 G 8.78 4.32 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 0.00 64 E 8.38 4.12 0.00 2.18 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 0.00 2.38 2.32 0.00 65 V 8.34 4.05 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 0.96 0.00 0.00 1.02 0.00 0.00 66 L 9.07 4.41 0.00 1.76 1.73 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.46 4.65 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 68 Y 8.62 5.68 0.00 3.40 3.14 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 69 A 9.34 5.12 1.27 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 0.00 0.00 0.00 70 S 9.23 5.07 0.00 4.30 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 71 Y 7.93 5.37 0.00 3.04 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 72 G 8.68 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 0.00 0.00 0.00 73 D 8.87 4.93 0.00 2.79 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 74 W 8.95 4.64 0.00 3.15 3.25 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 75 R 7.49 4.31 0.00 0.67 1.18 0.00 2.21 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 76 P 0.00 4.60 0.00 1.82 1.94 0.00 3.61 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.73 0.00 77 F 7.80 4.99 0.00 3.50 3.10 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 78 E 9.19 4.11 0.00 2.20 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 0.00 2.45 2.37 0.00 79 G 8.28 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 80 F 8.46 4.86 0.00 3.61 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 81 R 7.94 4.14 0.00 2.00 2.25 0.00 3.10 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 82 G 8.20 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 83 T 8.37 5.29 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 84 V 8.45 4.71 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 0.59 0.00 0.00 0.26 0.00 0.00 85 E 9.00 4.92 0.00 2.25 1.94 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 2.25 2.44 0.00 86 H 8.64 5.60 0.00 3.42 3.43 0.00 5.75 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 9.19 4.59 0.00 3.73 3.45 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 88 V 7.65 4.61 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 0.72 0.00 0.00 0.88 0.00 0.00 89 Y 8.75 4.71 0.00 2.40 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 90 V 8.36 4.73 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 0.86 0.00 0.00 0.93 0.00 0.00 91 R 8.91 4.01 0.00 2.17 1.94 0.00 3.20 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 92 D 9.03 4.36 0.00 2.68 2.71 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 93 D 8.05 4.65 0.00 2.84 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 94 Q 8.06 4.59 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 95 R 7.89 4.03 0.00 1.88 1.86 0.00 3.29 0.00 0.00 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0.00 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 S 8.24 4.03 0.00 3.92 4.03 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 0.00 131 I 7.88 3.78 1.87 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 1.42 0.84 0.92 0.00 0.00 132 G 8.35 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 0.00 133 L 8.13 3.94 0.00 1.85 1.81 0.79 1.16 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 0.00 134 H 8.18 4.00 0.00 3.24 3.05 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.11 4.28 0.00 2.01 2.13 0.00 3.16 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 136 R 8.03 4.06 0.00 2.07 2.00 0.00 3.20 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 137 L 7.42 4.63 0.00 1.82 1.84 0.93 0.98 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 0.00 138 G 7.97 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 0.00 139 F 8.42 4.43 0.00 3.08 3.04 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 0.00 0.00 0.00 0.00 140 E 8.75 4.95 0.00 1.80 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 2.23 2.24 0.00 141 I 8.48 4.23 1.90 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 1.43 0.50 1.00 0.00 0.00 142 S 9.44 4.71 0.00 3.90 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 0.00 143 G 7.76 4.45 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 0.00 144 Q 8.47 5.06 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.44 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 *146 P 0.00 4.32 0.00 2.24 2.20 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 147 Q 9.18 3.78 0.00 1.85 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 148 V 7.43 3.88 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.07 0.00 0.00 149 G 8.19 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.10 4.77 0.00 1.81 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 151 K 8.43 3.98 0.00 1.19 1.10 0.00 1.60 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.78 7.81 152 F 8.99 3.55 0.00 3.17 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 0.00 153 G 8.36 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 0.00 154 R 7.52 4.42 0.00 1.88 1.89 0.00 2.76 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 155 W 8.21 4.93 0.00 3.19 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 0.00 156 L 9.03 4.83 0.00 0.48 1.00 -0.27 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.69 5.14 0.00 2.66 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 0.00 158 L 8.45 5.18 0.00 1.72 1.31 0.34 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 159 T 8.87 4.62 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 1.27 0.00 0.00 160 F 8.89 5.56 0.00 3.14 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 *162 Q 8.29 4.49 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 163 L 7.66 4.34 0.00 0.27 0.46 0.59 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.43 4.72 0.00 2.56 2.57 0.00 0.00 7.26 7.78 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 0.00 165 L 8.67 4.12 0.00 1.74 1.63 0.76 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.06 4.68 0.00 2.70 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 0.00 167 P 0.00 4.63 0.00 2.18 2.07 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 168 T 7.62 4.15 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 1.20 0.00 0.00 169 R 7.67 4.21 0.00 2.13 1.96 0.00 3.09 0.00 0.00 3.42 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 170 S 8.43 4.35 0.00 3.88 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 0.00 171 A 7.22 4.69 1.21 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 0.00 0.00 0.00 172 P 0.00 4.35 0.00 2.15 2.00 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.