NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.7795 8.0848 120.0291 55.0799 42.7132 175.7668 4 T 4.3863 8.5152 121.5630 60.2392 70.4783 170.6355 5 E 2.8782 8.6463 128.3402 57.0770 31.0376 176.2385 6 G 4.0030 8.8073 115.3321 44.9288 0.0000 173.8878 7 E 4.4828 7.8653 115.2094 56.7663 31.8047 176.1177 8 D 5.1653 8.1043 115.8307 52.0462 41.2754 175.1501 9 Y 5.2440 7.3274 116.3558 56.4324 41.4995 173.2038 10 L 5.0192 9.2076 119.6141 52.9070 46.1674 176.0309 11 V 4.4534 8.4804 122.8867 62.3905 32.3207 175.5673 12 L 4.2306 8.4226 128.5491 54.6588 41.7470 177.0321 13 D 4.4375 9.0572 123.5426 56.7121 40.9969 176.9689 14 K 4.5693 7.8070 118.1954 53.5142 34.1140 174.1517 15 P 4.5560 0.0000 0.0000 62.7766 32.4434 175.8121 16 I 3.9561 8.2551 123.3935 59.2507 38.4650 173.6086 17 P 4.3680 0.0000 0.0000 62.9723 31.8140 176.6162 18 Q 4.5747 8.7199 122.1737 55.6433 29.5653 177.1219 19 E 4.0525 9.6801 120.4651 58.8755 29.6782 178.0944 20 Q 4.4480 8.2533 116.9075 53.8681 31.8541 175.4971 21 S 4.3189 8.5606 119.0090 59.3691 63.5763 174.8016 22 G 4.0164 9.3004 110.6072 45.2319 0.0000 173.0381 23 K 4.8950 7.4751 116.6397 54.7234 36.9980 175.4949 24 I 4.2702 8.8119 122.9104 60.1963 38.7243 174.7166 25 E 3.6501 8.7674 128.5682 54.6327 31.5833 174.8261 26 V 4.5057 8.2458 127.6257 61.2859 33.1539 173.5918 27 L 4.8722 8.8061 131.6269 53.4653 43.9641 174.5238 28 E 5.1348 9.0960 127.7447 54.4282 32.1341 174.5380 29 F 5.1183 9.3566 127.2132 57.1399 40.6479 175.0104 30 F 5.3041 9.0597 117.9794 55.4339 42.1500 173.3195 31 G 2.8207 7.8360 103.4396 44.2398 0.0000 173.4701 32 Y 4.2181 8.0857 118.1680 59.0218 38.1248 177.0553 33 F 4.9853 6.9118 113.9561 57.0344 38.6739 175.3946 34 C 4.3661 7.7804 120.9962 59.6722 28.1486 173.1746 35 V 3.5982 8.2127 125.2237 61.9251 32.1161 174.7047 36 H 4.8451 8.5425 123.7376 53.6909 31.9810 173.6920 37 C 3.7062 8.7111 124.2687 62.8153 30.8905 175.1319 38 H 4.8319 7.6525 114.2748 55.7563 28.8529 174.9785 39 H 4.6614 8.0920 114.2146 56.3122 26.5995 174.3375 40 F 4.7686 6.9477 112.4343 53.9026 40.4936 174.3615 41 D 3.8924 8.4711 121.8835 53.3288 41.7785 175.4497 42 P 4.5402 0.0000 0.0000 65.4171 31.5236 178.1553 43 L 4.1105 8.3690 120.5098 58.3597 42.0496 178.8808 44 L 4.0941 8.2021 118.3242 57.6290 41.3071 179.2007 45 L 3.9451 7.5853 118.7658 58.2337 42.3674 178.5992 46 K 4.0547 8.5176 118.6956 59.9076 32.1134 179.0630 47 L 4.0588 8.5983 119.2618 58.0043 41.4035 180.0020 48 G 3.7106 8.1393 104.4411 47.3278 0.0000 175.0789 49 K 4.2577 8.0881 119.2903 57.9362 32.7233 178.1543 50 A 4.3373 7.8204 119.1731 52.5683 19.7197 177.6624 51 L 4.0609 7.4420 117.8286 53.9224 42.4150 175.4586 52 P 4.5894 0.0000 0.0000 61.7882 32.4442 177.0536 53 S 4.1425 8.5518 112.7947 60.9498 62.4215 174.1179 54 D 4.7239 8.1462 118.0915 53.0518 39.5511 175.0204 55 A 5.9400 8.0457 121.0898 50.0148 21.9539 175.5330 56 Y 4.9219 7.8565 115.8247 55.6446 41.9452 173.5401 57 L 5.0137 8.5743 120.1609 53.4731 43.7141 176.0362 58 R 4.8274 8.8139 123.0279 54.6441 33.4826 173.8563 59 T 5.1498 8.5593 115.2761 59.9556 71.7066 173.0424 60 E 4.7115 8.9695 123.1166 54.7844 33.6580 174.1599 61 H 3.8529 8.7437 124.6879 55.0207 30.4334 175.0001 62 V 3.5268 7.5612 126.1592 63.5018 32.1368 176.1703 63 V 4.1327 7.8829 125.0373 61.1337 32.4489 174.6833 64 W 4.9039 8.5155 127.0847 57.4613 30.0506 177.0615 65 Q 4.8241 7.8065 115.1683 52.8085 31.6581 173.3277 66 P 4.4030 0.0000 0.0000 66.2813 31.1697 178.7162 67 E 4.1544 7.9724 119.6488 55.6397 28.5897 178.4551 *69 L 4.1885 8.1277 122.3167 55.0147 43.9907 178.6904 70 G 3.6445 7.7906 106.9816 48.3299 0.0000 174.9346 71 L 4.0473 7.9699 118.9098 57.5560 42.1834 178.1278 72 A 3.9212 7.8220 121.0845 55.1734 18.5675 179.8137 73 R 3.7900 8.0902 115.4452 56.4390 29.7067 178.2782 *75 A 4.6644 8.4743 119.8896 51.8790 20.7018 179.7034 76 A 3.9612 8.1662 117.2735 55.1829 18.2952 179.5096 77 A 3.9472 8.0780 119.3174 55.4507 18.5276 179.8602 78 V 3.4792 7.8630 116.0367 66.2810 31.5879 177.3426 79 N 4.1734 8.0339 116.2221 56.8768 38.6646 176.8265 80 L 4.0558 8.0580 119.9748 57.4587 41.8397 178.9703 81 S 4.4760 8.2993 112.2065 58.0812 63.3837 174.5813 82 G 3.8825 7.8821 110.3987 46.9130 0.0000 174.0349 83 L 4.6704 7.6174 117.3986 53.9048 42.6259 178.9643 84 K 3.6640 8.0831 120.2622 59.9366 31.9047 178.8910 85 Y 4.3845 7.3013 113.8074 60.5238 38.2684 177.0510 86 Q 4.1702 8.1742 117.7304 57.8312 29.6222 177.0553 87 A 3.7822 8.0687 119.2913 53.2246 19.8908 178.5141 88 N 4.2960 8.2810 115.3789 56.3750 38.7326 175.6006 89 P 4.9051 0.0000 0.0000 65.1571 31.4187 178.5012 90 A 4.2304 8.1583 119.0876 54.9203 18.4151 179.8034 91 V 3.0316 7.7283 116.5019 66.0302 31.4937 177.9587 92 F 3.8642 8.0204 117.7294 60.6295 38.8164 177.7252 93 K 3.7774 8.0396 118.5571 59.4454 31.8522 178.6706 94 A 4.0229 7.9818 121.0879 54.9526 17.9531 179.8976 95 V 3.5288 7.4107 115.9481 66.3396 31.7671 177.3734 96 Y 4.6546 7.9456 115.3484 61.6047 37.9462 178.5154 97 E 4.1480 8.4315 119.1903 57.8459 29.3253 178.8492 98 Q 3.8232 7.8086 114.4382 56.2274 27.0354 174.6724 99 K 4.1982 7.7131 119.1006 58.2058 32.3155 177.3021 100 I 4.5233 7.4559 110.0005 58.8290 40.5357 175.5030 101 R 4.2761 8.0886 122.5624 54.7472 28.7885 176.4213 102 L 4.0357 8.0483 126.0425 56.5433 42.4823 177.9537 103 E 4.1072 8.0351 116.9034 59.1829 29.9269 177.3532 104 N 4.6554 7.9796 117.3782 52.2731 40.1183 175.8654 105 R 3.8466 8.7135 125.4711 59.4604 30.3388 178.7198 106 S 4.0850 8.0035 113.4595 61.4905 62.9784 176.4787 107 V 3.5319 7.7418 121.5566 65.4661 31.3938 177.4889 108 A 4.0842 8.4851 120.9859 55.1282 18.1310 179.8706 109 G 3.4688 8.1329 104.0964 47.8688 0.0000 175.8607 110 K 3.9427 7.9848 122.4763 58.7526 31.9655 178.5581 111 W 4.1546 8.2637 127.5951 60.5587 30.9383 177.5396 112 A 3.3791 8.2567 120.6548 54.7903 17.6559 179.5715 113 L 3.9333 7.6808 116.6780 56.9438 41.7742 178.7303 114 S 4.3363 7.1095 111.0134 57.5035 63.7248 173.8045 115 Q 3.6935 6.6981 124.9600 55.4326 29.2052 175.2856 116 K 4.0253 8.2236 125.5384 57.3314 32.9828 176.9243 117 G 3.9787 7.5776 105.8586 44.7821 0.0000 172.6110 118 F 4.4738 6.6057 112.8333 55.9779 39.6642 172.9565 119 D 4.4161 8.3687 121.2595 53.7699 40.8243 177.0354 120 G 3.6501 8.4234 116.9006 48.1840 0.0000 174.4054 121 K 4.0938 8.0492 118.7036 59.2613 32.7312 178.2665 122 K 4.0732 8.3797 119.6796 59.4570 32.3604 178.7567 123 L 3.8769 7.7981 117.7236 56.4287 41.9304 178.4476 *125 R 4.2859 8.1009 117.6023 55.9237 32.0485 177.7944 126 A 4.1999 8.0542 120.3702 55.2105 18.7556 178.8171 127 Y 3.9853 8.4978 116.6113 61.0170 38.7566 177.1962 128 D 4.7048 7.6744 117.0115 55.3238 41.6654 177.0141 129 S 4.3974 7.6626 115.6878 57.0076 63.9806 173.4534 130 P 4.2429 0.0000 0.0000 66.4496 30.8802 178.5474 131 E 3.9022 8.2247 117.4508 59.0498 29.3328 179.0695 132 A 3.9605 7.8662 120.2819 54.7041 18.4160 179.5668 133 A 3.7810 7.7709 118.6391 55.3466 18.5352 179.5101 134 A 3.9297 8.2012 119.2504 55.2927 18.1876 179.7408 135 A 3.9081 7.7693 118.0523 55.1868 18.5058 179.4455 136 A 4.0398 7.7763 118.5167 55.0937 18.6451 179.5939 137 L 4.1202 7.9342 117.5703 57.6560 41.6143 180.1913 138 K 3.8964 8.1131 118.6287 57.1760 32.7014 177.9393 *140 Q 4.2392 8.0642 119.8795 55.5978 30.9827 177.2261 141 K 3.9792 8.5089 117.5803 59.5334 32.1545 179.2516 142 L 4.3968 8.3741 119.5019 58.4007 41.7224 179.8426 143 T 3.8935 8.0007 115.1359 66.5510 68.2342 176.5350 144 E 4.0497 8.0174 119.6848 59.2722 29.7241 178.6507 145 Q 3.9593 8.3527 119.0198 58.1142 29.0896 176.0804 146 Y 4.5466 7.4497 114.5794 56.7035 38.5870 175.8594 147 R 3.6996 7.9211 117.1978 57.2010 27.6820 177.3573 148 I 3.8653 7.5763 117.2847 61.5391 37.2866 176.3740 149 D 4.7210 8.7228 125.0688 54.3028 42.5278 176.4204 150 S 4.9466 7.9232 111.7493 56.9223 65.9844 173.0156 151 T 5.1109 8.5581 110.9532 59.3273 71.5133 171.4704 152 P 4.9170 0.0000 0.0000 62.8136 32.8001 174.9633 153 T 4.8777 8.7505 117.5773 60.3639 70.0058 172.6718 154 V 5.0310 8.7927 128.0817 61.2532 34.4541 173.8632 155 I 5.0455 8.9802 128.7808 59.5094 40.4468 174.4696 156 V 4.4643 9.0980 127.1873 61.6677 32.7595 176.1414 157 G 4.1127 9.8538 115.5360 46.1017 0.0000 175.1162 158 G 3.7333 8.0542 105.4831 45.5811 0.0000 175.1645 159 K 4.0374 7.5533 120.5629 56.3474 35.5191 175.1783 160 Y 5.3604 8.0318 117.9452 56.0251 40.8738 175.0306 161 R 4.7613 9.1747 126.3879 55.2599 31.6029 175.7625 162 V 4.0154 8.6784 127.7083 63.1067 31.9784 175.1266 163 I 4.2564 8.4791 129.1384 59.7736 38.7227 175.6786 164 F 4.6014 8.9847 127.8999 56.7080 36.9713 174.8692 165 N 4.8781 8.2264 118.9983 52.7516 38.7583 175.6993 166 N 4.9984 7.5907 117.8047 53.3273 40.6576 174.9166 167 G 3.9845 8.3736 105.3057 45.6124 0.0000 175.2534 168 F 4.1838 8.9473 119.4428 61.6131 39.5341 178.0744 169 D 4.5581 8.3954 118.3203 57.3395 40.7413 178.8510 170 G 3.7691 8.0099 105.1319 47.3156 0.0000 176.1824 171 G 3.5558 7.9217 107.6816 47.9881 0.0000 176.3428 172 V 3.5651 7.4609 115.3304 63.9305 31.4495 178.1526 173 H 4.0046 8.0116 117.7745 59.6145 29.7460 177.1731 174 T 3.7837 7.8574 117.3885 66.7990 68.2950 176.4003 175 I 3.5619 7.6282 121.2118 64.4658 37.0630 178.5283 176 K 3.8558 7.8172 119.0312 59.6533 31.7710 179.3186 177 E 3.8672 8.0820 118.7069 59.2400 29.3568 179.3573 178 L 3.6426 7.8201 119.1807 57.7401 41.5650 180.0115 179 V 3.5931 7.9084 112.2421 64.2001 31.4323 178.5156 180 A 3.9720 7.7454 120.6202 54.7839 18.0828 179.6099 181 K 3.7624 8.1267 118.4732 59.5696 32.2682 179.2958 182 V 3.5913 7.7717 118.5180 65.9095 31.2493 177.7095 183 R 3.8734 8.0648 117.7563 59.7146 30.1476 178.0255 184 E 4.1226 8.2931 118.3596 59.2658 29.3377 178.8343 185 E 4.2449 8.3793 115.6559 58.0185 29.8286 178.0531 186 R 4.5237 7.4945 118.0770 55.8583 30.4962 176.1139 187 K 4.3836 7.6863 118.0791 58.0175 33.8048 176.6218 188 R 4.1122 7.8397 117.7675 56.3835 29.5541 176.1118 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 3 L 8.08 4.78 0.00 1.66 1.84 0.62 0.35 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 4 T 8.52 4.39 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 1.19 0.00 0.00 5 E 8.65 2.88 0.00 1.57 1.65 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 1.96 1.72 0.00 6 G 8.81 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 4.48 0.00 2.02 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 2.22 2.23 0.00 8 D 8.10 5.17 0.00 2.76 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 9 Y 7.33 5.24 0.00 3.12 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 10 L 9.21 5.02 0.00 1.60 1.57 0.94 0.77 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 11 V 8.48 4.45 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 0.74 0.00 0.00 1.27 0.00 0.00 12 L 8.42 4.23 0.00 1.55 1.60 0.94 0.94 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 13 D 9.06 4.44 0.00 2.69 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 14 K 7.81 4.57 0.00 1.84 1.84 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 15 P 0.00 4.56 0.00 2.02 1.97 0.00 3.79 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 2.00 1.98 0.00 16 I 8.26 3.96 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.10 0.67 0.00 0.00 17 P 0.00 4.37 0.00 2.10 2.10 0.00 3.80 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 2.05 2.09 0.00 18 Q 8.72 4.57 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 19 E 9.68 4.05 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 2.37 2.34 0.00 20 Q 8.25 4.45 0.00 1.61 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.94 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 21 S 8.56 4.32 0.00 3.86 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 22 G 9.30 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 23 K 7.48 4.89 0.00 1.75 2.03 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.48 7.81 24 I 8.81 4.27 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 1.11 0.62 0.86 0.00 0.00 25 E 8.77 3.65 0.00 1.67 1.73 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 2.04 1.67 0.00 26 V 8.25 4.51 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 0.82 0.00 0.00 0.82 0.00 0.00 27 L 8.81 4.87 0.00 1.76 1.57 0.40 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.10 5.13 0.00 2.03 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 2.33 2.37 0.00 29 F 9.36 5.12 0.00 3.15 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 30 F 9.06 5.30 0.00 2.99 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 31 G 7.84 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 0.00 0.00 0.00 32 Y 8.09 4.22 0.00 2.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 6.91 4.99 0.00 3.23 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 34 C 7.78 4.37 0.00 3.28 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 35 V 8.21 3.60 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 0.32 0.00 0.00 0.69 0.00 0.00 36 H 8.54 4.85 0.00 2.97 2.87 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.71 3.71 0.00 2.75 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 38 H 7.65 4.83 0.00 3.11 3.48 0.00 5.79 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 39 H 8.09 4.66 0.00 3.49 3.61 0.00 5.56 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 6.95 4.77 0.00 2.96 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.47 3.89 0.00 2.65 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 42 P 0.00 4.54 0.00 2.19 2.13 0.00 3.58 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.70 0.00 43 L 8.37 4.11 0.00 2.04 1.97 0.60 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.20 4.09 0.00 2.01 1.78 1.04 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.59 3.95 0.00 1.85 2.02 1.00 0.57 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 46 K 8.52 4.05 0.00 2.20 1.92 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.63 1.94 7.81 47 L 8.60 4.06 0.00 1.70 1.72 0.91 0.82 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 48 G 8.14 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.09 4.26 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.57 7.81 50 A 7.82 4.34 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 51 L 7.44 4.06 0.00 1.71 1.61 0.89 0.81 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 52 P 0.00 4.59 0.00 2.21 2.19 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 53 S 8.55 4.14 0.00 3.86 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 54 D 8.15 4.72 0.00 2.89 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.05 5.94 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 56 Y 7.86 4.92 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.57 5.01 0.00 1.57 1.64 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.81 4.83 0.00 1.96 1.63 0.00 3.25 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 59 T 8.56 5.15 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 1.05 0.00 0.00 60 E 8.97 4.71 0.00 1.40 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 1.92 2.10 0.00 61 H 8.74 3.85 0.00 2.51 2.88 0.00 5.95 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.56 3.53 1.55 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 -1.15 0.00 0.00 0.82 0.00 0.00 63 V 7.88 4.13 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 0.93 0.00 0.00 0.91 0.00 0.00 64 W 8.52 4.90 0.00 3.47 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 65 Q 7.81 4.82 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 66 P 0.00 4.40 0.00 2.18 2.23 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 67 E 7.97 4.15 0.00 2.07 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 2.42 2.32 0.00 *69 L 8.13 4.19 0.00 1.78 1.74 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.79 3.64 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 0.00 0.00 0.00 71 L 7.97 4.05 0.00 1.53 1.47 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.82 3.92 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 73 R 8.09 3.79 0.00 1.73 1.79 0.00 2.86 0.00 0.00 2.80 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 *75 A 8.47 4.66 1.47 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 0.00 0.00 0.00 76 A 8.17 3.96 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 77 A 8.08 3.95 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 3.48 2.26 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 1.06 0.00 0.00 0.91 0.00 0.00 79 N 8.03 4.17 0.00 2.90 2.93 0.00 0.00 7.28 6.21 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 80 L 8.06 4.06 0.00 1.71 1.72 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.30 4.48 0.00 4.03 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 82 G 7.88 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 0.00 0.00 0.00 83 L 7.62 4.67 0.00 1.56 1.39 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.08 3.66 0.00 0.91 1.25 0.00 1.40 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.36 1.25 7.81 85 Y 7.30 4.38 0.00 3.01 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 86 Q 8.17 4.17 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 87 A 8.07 3.78 0.52 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 0.00 0.00 0.00 0.00 0.00 88 N 8.28 4.30 0.00 3.06 3.27 0.00 0.00 6.97 8.53 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 89 P 0.00 4.91 0.00 2.29 2.29 0.00 3.91 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 90 A 8.16 4.23 1.80 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 0.00 0.00 91 V 7.73 3.03 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 -0.45 0.00 0.00 0.83 0.00 0.00 92 F 8.02 3.86 0.00 3.22 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.78 0.00 1.83 2.00 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.27 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.52 7.81 94 A 7.98 4.02 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 95 V 7.41 3.53 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.82 0.00 0.00 96 Y 7.95 4.65 0.00 3.18 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 97 E 8.43 4.15 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.78 1.77 0.00 106 S 8.00 4.09 0.00 4.09 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 0.00 107 V 7.74 3.53 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 1.04 0.00 0.00 0.93 0.00 0.00 108 A 8.49 4.08 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 0.00 109 G 8.13 3.47 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 0.00 0.00 0.00 0.00 110 K 7.98 3.94 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.45 7.81 111 W 8.26 4.15 0.00 3.27 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 0.00 112 A 8.26 3.38 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.68 3.93 0.00 1.64 1.65 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.11 4.34 0.00 3.94 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 0.00 115 Q 6.70 3.69 0.00 1.23 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 116 K 8.22 4.03 0.00 1.58 1.70 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.38 7.81 117 G 7.58 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 0.00 118 F 6.61 4.47 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.37 4.42 0.00 2.81 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 0.00 120 G 8.42 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 0.00 121 K 8.05 4.09 0.00 1.90 1.89 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.39 7.81 122 K 8.38 4.07 0.00 2.05 1.84 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.47 1.40 7.81 123 L 7.80 3.88 0.00 1.88 2.01 0.97 1.39 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 *125 R 8.10 4.29 0.00 2.27 2.04 0.00 3.24 0.00 0.00 3.50 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 126 A 8.05 4.20 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 0.00 127 Y 8.50 3.99 0.00 3.09 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 0.00 128 D 7.67 4.70 0.00 2.89 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 0.00 129 S 7.66 4.40 0.00 4.17 4.15 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 0.00 130 P 0.00 4.24 0.00 2.28 2.36 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 131 E 8.22 3.90 0.00 2.07 2.03 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 2.39 2.44 0.00 132 A 7.87 3.96 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 0.00 133 A 7.77 3.78 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 0.00 134 A 8.20 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 0.00 135 A 7.77 3.91 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 0.00 136 A 7.78 4.04 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 0.00 137 L 7.93 4.12 0.00 1.87 1.73 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.11 3.90 0.00 1.92 1.98 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.52 7.81 *140 Q 8.06 4.24 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 141 K 8.51 3.98 0.00 2.03 1.89 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 142 L 8.37 4.40 0.00 1.98 2.21 1.01 1.16 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 0.00 143 T 8.00 3.89 4.42 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 1.44 0.00 0.00 144 E 8.02 4.05 0.00 1.97 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 2.38 2.45 0.00 145 Q 8.35 3.96 0.00 1.89 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.15 0.00 0.00 0.00 0.00 0.00 1.72 2.12 0.00 146 Y 7.45 4.55 0.00 3.18 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 0.00 147 R 7.92 3.70 0.00 1.89 1.93 0.00 3.19 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 148 I 7.58 3.87 1.48 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 -0.04 0.69 0.00 0.00 149 D 8.72 4.72 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.95 0.00 4.02 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 0.00 151 T 8.56 5.11 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 1.27 0.00 0.00 152 P 0.00 4.92 0.00 2.15 2.16 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 1.65 1.88 0.00 153 T 8.75 4.88 4.42 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 1.39 0.00 0.00 154 V 8.79 5.03 2.23 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 1.09 0.00 0.00 1.23 0.00 0.00 155 I 8.98 5.05 1.93 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 1.20 0.75 0.95 0.00 0.00 156 V 9.10 4.46 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 0.91 0.00 0.00 0.88 0.00 0.00 157 G 9.85 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 0.00 158 G 8.05 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 0.00 159 K 7.55 4.04 0.00 1.89 0.87 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.50 1.06 7.81 160 Y 8.03 5.36 0.00 2.87 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 0.00 161 R 9.17 4.76 0.00 1.95 1.88 0.00 3.16 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 162 V 8.68 4.02 1.62 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 -0.12 0.00 0.00 0.78 0.00 0.00 163 I 8.48 4.26 1.93 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 1.25 1.05 0.99 0.00 0.00 164 F 8.98 4.60 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 N 8.23 4.88 0.00 2.84 3.06 0.00 0.00 6.02 8.04 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 0.00 166 N 7.59 5.00 0.00 2.78 2.75 0.00 0.00 7.14 8.37 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 0.00 167 G 8.37 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 0.00 168 F 8.95 4.18 0.00 3.19 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 0.00 169 D 8.40 4.56 0.00 2.82 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 0.00 170 G 8.01 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 0.00 0.00 0.00 171 G 7.92 3.56 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 0.00 0.00 0.00 172 V 7.46 3.57 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 0.38 0.00 0.00 0.89 0.00 0.00 173 H 8.01 4.00 0.00 3.28 3.44 0.00 5.80 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 0.00 174 T 7.86 3.78 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 1.15 0.00 0.00 175 I 7.63 3.56 1.92 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 1.44 0.61 0.84 0.00 0.00 176 K 7.82 3.86 0.00 1.88 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.51 7.81 177 E 8.08 3.87 0.00 2.00 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 2.16 2.19 0.00 178 L 7.82 3.64 0.00 1.89 1.58 0.06 0.67 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 0.00 179 V 7.91 3.59 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 0.75 0.00 0.00 0.93 0.00 0.00 180 A 7.75 3.97 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 0.00 181 K 8.13 3.76 0.00 1.66 1.70 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.21 1.23 7.81 182 V 7.77 3.59 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 0.97 0.00 0.00 1.13 0.00 0.00 183 R 8.06 3.87 0.00 1.87 2.11 0.00 3.31 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 184 E 8.29 4.12 0.00 2.14 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 2.46 2.43 0.00 185 E 8.38 4.24 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 186 R 7.49 4.52 0.00 2.00 1.98 0.00 3.15 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 187 K 7.69 4.38 0.00 1.89 1.82 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.34 7.81 188 R 7.84 4.11 0.00 1.92 1.91 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.