NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4015 8.1233 122.4681 51.9944 20.1495 175.6535 2 E 4.7681 8.8417 121.9686 54.2091 32.1827 170.2583 3 V 4.2442 8.8608 124.8176 61.6171 32.8615 175.5699 4 A 4.2195 8.7061 129.7225 51.2396 19.5249 176.1699 5 P 3.7314 0.0000 0.0000 65.7514 31.4433 178.8462 6 G 3.7829 7.9362 104.2835 47.2187 0.0000 173.5099 7 D 4.7978 8.0717 118.5345 53.7458 41.5502 176.4438 8 V 3.6162 7.3288 119.4094 62.4981 31.7822 175.4776 9 A 4.2889 8.5894 130.7992 51.5999 17.9821 176.0960 10 I 4.5829 8.1079 123.1235 60.1921 39.4317 176.1997 11 D 4.7109 8.5726 125.2660 51.7827 40.9763 177.3003 12 G 3.6346 8.5323 107.2699 48.0155 0.0000 174.1300 13 Q 4.1990 8.5954 117.4622 55.5364 29.5657 176.4204 14 G 3.8941 8.4618 107.3530 45.6779 0.0000 172.7171 15 H 4.8433 8.1714 116.7092 54.6673 29.9729 174.7068 16 V 4.6506 8.6064 123.8487 60.8753 31.7321 175.9463 17 A 3.9819 8.5870 131.1612 54.2482 18.6454 177.5600 18 R 4.4532 7.6550 115.3386 53.8925 31.3498 174.1866 19 P 4.4910 0.0000 0.0000 63.2689 31.9564 176.3456 20 L 4.3008 9.0639 120.4030 56.8774 42.4557 176.4846 21 T 5.2480 7.7331 111.8980 60.7243 70.1371 173.0568 22 D 4.7134 8.8326 124.3856 54.0853 40.4586 176.4995 23 A 4.1311 7.6650 124.0578 51.1346 18.9187 175.5904 24 P 4.3489 0.0000 0.0000 62.0526 32.0479 176.6634 25 G 3.5180 8.6882 111.6919 45.8744 0.0000 172.7490 26 D 4.7379 9.1831 124.8246 51.9055 42.1574 175.1032 27 P 4.7419 0.0000 0.0000 65.4967 31.1843 178.5923 28 V 3.5134 7.8647 118.1257 65.9895 31.4293 177.6202 29 E 3.9827 8.4993 118.7600 58.9540 29.4632 178.3493 30 G 3.9182 8.5437 106.4065 48.2272 0.0000 175.5161 31 R 3.0523 7.6412 120.0795 58.4082 30.0982 178.1085 32 R 3.9394 7.5723 118.4558 59.5746 29.9714 178.5326 33 L 3.9585 8.1840 118.9219 57.9278 41.3776 179.2274 34 M 4.0052 7.7656 118.8640 58.1249 31.7308 177.9303 35 T 4.6337 7.2279 106.5366 60.6545 69.9889 174.0750 36 D 4.3342 7.4436 122.7917 54.3269 40.8538 176.5947 37 R 4.4206 8.5773 127.4792 58.1898 30.2595 176.9829 38 S 4.5971 8.2686 110.4937 58.2941 62.5081 173.1744 39 V 4.2120 7.2941 116.7873 63.5408 34.1378 176.3407 40 G 3.5451 8.1808 110.5735 46.8858 0.0000 173.6539 41 N 4.2824 8.1797 117.3143 54.2639 38.2932 176.0477 42 C 4.2845 8.1699 115.8639 62.4019 28.7114 176.3456 43 I 4.1047 7.9726 112.0107 62.5820 37.6591 177.8524 44 A 4.0458 7.9983 124.7130 54.9068 18.3692 178.2877 45 C 4.7505 8.1068 110.6537 59.6736 30.8542 173.7230 46 H 5.1837 8.3838 116.3119 53.7314 31.9524 172.5584 47 E 4.5202 8.7488 123.1556 55.2296 31.7645 175.4804 48 V 4.7638 8.1798 125.1646 61.2479 33.4025 175.5694 49 T 3.8831 8.8464 119.3493 64.5205 68.7543 175.2702 50 E 3.9768 8.3534 121.8547 59.1271 30.2730 177.3553 51 M 4.3408 7.9597 120.5522 53.9976 30.4910 176.8509 52 A 4.1759 7.5904 120.4894 53.8921 19.3697 178.5322 53 D 4.3331 7.9150 114.5638 56.0259 41.6943 176.1044 54 A 4.2370 8.0027 123.2159 51.2951 19.1235 176.5138 55 Q 4.0242 8.4577 124.2099 55.9891 30.8860 175.4695 56 F 3.8827 7.6945 119.7653 58.0273 36.2166 174.0619 57 P 4.5463 0.0000 0.0000 62.4379 32.3535 177.5906 58 G 4.4842 9.2641 110.9073 45.0809 0.0000 173.2777 59 T 4.5970 8.0727 105.4864 61.0450 69.7126 175.2816 60 V 3.6141 8.0656 122.9487 66.2609 31.7006 176.6183 61 G 3.9460 7.6381 105.6532 44.5045 0.0000 171.6267 62 P 4.6675 0.0000 0.0000 61.9683 32.4235 176.1277 63 S 4.3528 8.6954 115.6897 59.3674 62.7950 174.1267 64 L 4.3875 9.2894 125.3717 54.6155 42.0125 176.4551 65 D 4.4252 7.4534 119.7549 56.0007 41.3843 177.0901 66 G 3.8802 8.4702 110.9390 46.1514 0.0000 175.7345 67 V 3.3125 7.5140 121.2092 64.5858 30.9682 178.3094 68 A 3.9813 7.7280 120.1081 54.5638 18.2170 179.0986 69 A 4.0815 7.5949 118.9234 54.6668 18.5755 179.3069 70 R 4.1316 7.7054 113.0212 56.8415 30.6539 176.2703 71 Y 5.1068 7.2018 116.0354 55.0010 40.5740 174.4254 72 P 4.4840 0.0000 0.0000 62.5611 33.5846 177.0104 73 E 3.8989 8.8600 119.6455 59.7453 29.4693 179.1675 74 A 4.6726 7.8787 121.4585 54.8576 18.4549 179.1636 75 M 3.6408 7.7701 116.2657 58.4736 32.2195 178.3833 76 I 3.7048 7.7197 120.0346 64.3977 37.3322 178.1064 77 R 3.9908 8.5694 119.9973 59.7353 29.9476 178.7784 78 G 4.1808 7.9010 105.8837 47.1968 0.0000 175.6295 79 I 3.8852 7.7453 122.2104 64.1048 36.9472 178.1899 80 L 4.4283 7.7326 119.8817 57.1656 41.6246 179.2653 81 V 4.1106 8.0473 118.6269 64.3773 31.8399 175.6950 82 N 4.9818 8.3793 124.5858 50.8945 40.1710 174.5175 83 S 4.4588 8.8802 123.7673 60.9165 62.2530 176.4876 84 K 4.3238 8.1959 121.4556 58.8919 31.4832 179.0272 85 N 4.3431 8.0082 116.7758 55.8358 38.4759 176.8511 86 V 4.0370 7.5045 117.7688 63.4312 32.6840 175.5669 87 F 4.8186 8.0931 119.7466 54.4546 39.6217 172.4328 88 P 4.5953 0.0000 0.0000 63.1803 31.7308 176.4825 89 E 3.8351 8.9686 119.6189 57.4642 26.8223 174.7283 90 T 4.1138 7.5766 112.6121 62.2973 67.8068 174.8095 91 V 3.9422 8.1270 118.2966 62.3934 32.2756 176.4150 92 M 4.1502 7.7644 120.7044 54.7210 32.2550 174.2654 93 P 4.1918 0.0000 0.0000 62.6358 32.0648 175.4866 94 A 4.5628 8.1475 123.0670 51.2600 19.5570 177.0180 95 Y 4.4367 8.5176 121.0141 59.4844 38.5568 176.1453 96 Y 5.1819 8.1854 120.9242 57.3041 39.5719 174.7866 97 R 4.6975 8.2481 115.7406 54.3309 32.2895 176.5055 98 V 4.6267 8.2085 112.2725 60.9442 33.0957 174.7034 99 E 4.4388 7.5679 118.3608 55.4395 33.4392 174.8654 100 G 3.6112 8.6049 105.4964 45.7401 0.0000 173.1078 101 F 5.0342 7.4312 116.5096 55.2455 41.4267 174.7952 102 N 4.6483 8.8733 121.9325 53.2011 39.7555 175.7874 103 R 3.7920 8.7033 123.8522 56.6664 27.2828 174.7564 104 P 4.3659 0.0000 0.0000 62.8476 33.1698 177.3551 105 G 4.0507 8.2816 108.5778 44.1297 0.0000 172.4413 106 I 3.9747 9.0319 120.8752 59.9971 37.5415 177.2672 107 A 3.0928 8.3349 133.3025 53.4375 17.9889 177.7241 108 F 4.9350 8.5057 111.9454 59.9135 39.2618 176.1331 109 T 4.2685 8.0102 110.5858 61.2679 69.4513 175.8350 110 S 3.9815 8.0946 116.5591 58.7203 61.0162 170.2173 111 K 4.4036 7.4666 121.0994 54.8017 33.2953 174.8081 112 P 4.7257 0.0000 0.0000 62.7346 32.0858 176.2517 113 I 3.8615 7.9266 124.2540 61.4318 37.6568 175.3970 114 E 4.5779 9.0691 126.6607 55.9909 32.1546 175.1070 115 G 3.9943 8.5856 111.2403 44.8912 0.0000 174.3599 116 E 4.2509 8.5245 126.2191 54.9123 30.1450 175.6947 117 I 4.0167 8.2380 127.4655 61.0519 38.0192 175.6790 118 R 4.4299 8.2566 124.1951 54.0460 31.3410 174.7204 119 P 4.6665 0.0000 0.0000 62.4854 31.9803 176.4581 120 L 4.1579 8.5933 119.3986 57.4931 41.7809 177.6664 121 M 5.1221 8.2648 116.1601 52.9165 35.6875 175.8331 122 T 4.4810 9.0643 112.5221 60.8632 71.3502 175.7983 123 A 3.7408 8.7743 123.2596 55.4124 18.3319 180.0508 124 G 3.6330 8.1334 103.4790 48.1199 0.0000 175.6425 125 Q 3.9906 7.9617 119.8961 58.7262 28.7968 178.7634 126 I 3.6232 7.8543 120.9152 64.7072 37.1770 178.4400 127 E 4.1045 8.3065 119.1713 59.2784 29.1848 179.1836 128 D 4.4397 8.2504 119.2063 57.2832 40.8017 179.0371 129 V 3.5694 7.7991 118.6972 65.9611 31.6162 177.8625 130 V 3.5496 8.2906 118.2376 66.3447 31.0125 177.8558 131 A 3.9880 7.7863 118.7073 55.2066 18.4585 178.6402 132 Y 4.1891 8.0554 118.0456 60.9734 38.8602 178.3947 133 L 3.7641 8.2062 119.8341 57.6619 41.4600 178.6898 134 M 4.3029 7.7163 116.7063 56.5323 32.1562 177.4597 135 T 4.2814 7.4529 109.3565 61.5575 71.0500 175.6000 136 L 4.2523 7.2099 124.3594 53.6396 40.0510 176.6808 137 T 4.3907 7.6567 109.1542 61.5616 70.1621 175.5927 138 Q 4.0125 7.6127 128.7172 56.5619 29.1298 173.6257 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 1 A 8.12 4.40 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 2 E 8.84 4.77 0.00 1.99 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 2.27 2.40 0.00 3 V 8.86 4.24 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 0.81 0.00 0.00 0.97 0.00 0.00 4 A 8.71 4.22 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 5 P 0.00 3.73 0.00 1.92 1.88 0.00 3.40 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 1.73 0.76 0.00 6 G 7.94 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.07 4.80 0.00 2.77 2.70 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 0.00 8 V 7.33 3.62 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 0.81 0.00 0.00 1.24 0.00 0.00 9 A 8.59 4.29 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 10 I 8.11 4.58 1.88 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 1.50 0.86 0.89 0.00 0.00 11 D 8.57 4.71 0.00 2.88 2.81 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 12 G 8.53 3.63 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 0.00 0.00 0.00 13 Q 8.60 4.20 0.00 1.68 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 14 G 8.46 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 15 H 8.17 4.84 0.00 3.53 3.19 0.00 5.76 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 16 V 8.61 4.65 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 0.96 0.00 0.00 17 A 8.59 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.66 4.45 0.00 1.78 1.84 0.00 3.27 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 19 P 0.00 4.49 0.00 2.17 1.97 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 20 L 9.06 4.30 0.00 1.40 1.51 0.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.73 5.25 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 1.27 0.00 0.00 22 D 8.83 4.71 0.00 2.70 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 23 A 7.66 4.13 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 24 P 0.00 4.35 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 25 G 8.69 3.52 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 0.00 26 D 9.18 4.74 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.74 0.00 2.44 2.46 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 28 V 7.86 3.51 2.24 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 0.97 0.00 0.00 0.94 0.00 0.00 29 E 8.50 3.98 0.00 2.21 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 2.44 2.45 0.00 30 G 8.54 3.92 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 0.00 0.00 0.00 31 R 7.64 3.05 0.00 1.11 1.79 0.00 3.12 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.00 32 R 7.57 3.94 0.00 1.80 2.02 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 33 L 8.18 3.96 0.00 1.84 1.66 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 M 7.77 4.01 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.86 0.00 35 T 7.23 4.63 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 1.17 0.00 0.00 36 D 7.44 4.33 0.00 2.80 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 37 R 8.58 4.42 0.00 1.82 1.96 0.00 3.08 0.00 0.00 2.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 38 S 8.27 4.60 0.00 3.93 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 39 V 7.29 4.21 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 0.91 0.00 0.00 0.96 0.00 0.00 40 G 8.18 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 41 N 8.18 4.28 0.00 3.19 2.94 0.00 0.00 7.25 7.66 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 42 C 8.17 4.28 0.00 3.14 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 43 I 7.97 4.10 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 1.22 1.63 0.96 0.00 0.00 44 A 8.00 4.05 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 45 C 8.11 4.75 0.00 2.79 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 46 H 8.38 5.18 0.00 3.21 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.75 4.52 0.00 2.04 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 2.35 2.25 0.00 48 V 8.18 4.76 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.02 0.00 0.00 49 T 8.85 3.88 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 1.49 0.00 0.00 50 E 8.35 3.98 0.00 1.98 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 0.00 2.34 2.34 0.00 51 M 7.96 4.34 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.44 0.00 52 A 7.59 4.18 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 53 D 7.91 4.33 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 54 A 8.00 4.24 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 55 Q 8.46 4.02 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.53 0.00 0.00 0.00 0.00 0.00 1.47 1.84 0.00 56 F 7.69 3.88 0.00 3.16 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 57 P 0.00 4.55 0.00 2.20 2.07 0.00 3.76 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 2.01 1.96 0.00 58 G 9.26 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 0.00 0.00 0.00 0.00 59 T 8.07 4.60 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 1.23 0.00 0.00 60 V 8.07 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 0.92 0.00 0.00 61 G 7.64 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 62 P 0.00 4.67 0.00 2.10 2.05 0.00 3.83 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 63 S 8.70 4.35 0.00 3.91 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 64 L 9.29 4.39 0.00 1.69 1.64 0.82 0.89 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 65 D 7.45 4.43 0.00 2.62 2.60 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 66 G 8.47 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 67 V 7.51 3.31 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 0.76 0.00 0.00 nan 0.00 0.00 68 A 7.73 3.98 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 69 A 7.59 4.08 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 70 R 7.71 4.13 0.00 1.83 1.91 0.00 2.53 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 71 Y 7.20 5.11 0.00 3.06 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 72 P 0.00 4.48 0.00 2.26 2.20 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 73 E 8.86 3.90 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 2.37 2.39 0.00 74 A 7.88 4.67 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 75 M 7.77 3.64 0.00 2.02 1.43 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 76 I 7.72 3.70 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.79 0.94 0.00 0.00 77 R 8.57 3.99 0.00 1.86 2.18 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 78 G 7.90 4.18 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 0.00 79 I 7.75 3.89 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 1.18 0.00 0.00 80 L 7.73 4.43 0.00 1.83 1.75 0.91 0.66 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 81 V 8.05 4.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.01 0.00 0.00 82 N 8.38 4.98 0.00 2.88 2.68 0.00 0.00 7.07 7.39 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 83 S 8.88 4.46 0.00 4.31 4.46 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 84 K 8.20 4.32 0.00 2.04 1.93 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.49 1.58 7.81 85 N 8.01 4.34 0.00 2.84 2.85 0.00 0.00 6.88 7.84 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 86 V 7.50 4.04 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 -0.06 0.00 0.00 0.82 0.00 0.00 87 F 8.09 4.82 0.00 3.18 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.60 0.00 2.07 2.01 0.00 3.92 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 89 E 8.97 3.84 0.00 2.17 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 2.22 2.31 0.00 90 T 7.58 4.11 4.49 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 1.39 0.00 0.00 91 V 8.13 3.94 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 0.75 0.00 0.00 0.94 0.00 0.00 92 M 7.76 4.15 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.78 0.00 93 P 0.00 4.19 0.00 1.18 1.67 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 94 A 8.15 4.56 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 95 Y 8.52 4.44 0.00 3.43 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 8.19 5.18 0.00 2.87 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 97 R 8.25 4.70 0.00 1.98 1.80 0.00 3.32 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 98 V 8.21 4.63 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 0.74 0.00 0.00 0.86 0.00 0.00 99 E 7.57 4.44 0.00 1.69 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 2.13 2.20 0.00 100 G 8.60 3.61 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 0.00 0.00 0.00 101 F 7.43 5.03 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.87 4.65 0.00 2.74 2.78 0.00 0.00 7.12 7.66 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 0.00 103 R 8.70 3.79 0.00 1.93 1.95 0.00 3.22 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 104 P 0.00 4.37 0.00 2.07 2.16 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 105 G 8.28 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 0.00 106 I 9.03 3.97 1.83 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 1.12 0.53 0.87 0.00 0.00 107 A 8.33 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.51 4.94 0.00 3.01 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 0.00 109 T 8.01 4.27 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 1.28 0.00 0.00 110 S 8.09 3.98 0.00 4.08 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 0.00 111 K 7.47 4.40 0.00 1.72 1.70 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.46 7.81 112 P 0.00 4.73 0.00 1.93 1.98 0.00 3.67 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 2.12 0.00 113 I 7.93 3.86 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.38 0.90 0.00 0.00 114 E 9.07 4.58 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 115 G 8.59 3.99 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 0.00 0.00 0.00 116 E 8.52 4.25 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 117 I 8.24 4.02 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.95 0.00 0.00 118 R 8.26 4.43 0.00 1.78 1.85 0.00 3.22 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 119 P 0.00 4.67 0.00 2.63 1.90 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.87 0.00 120 L 8.59 4.16 0.00 1.79 1.99 0.59 0.70 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 0.00 121 M 8.26 5.12 0.00 2.02 2.08 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 2.70 2.48 0.00 122 T 9.06 4.48 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 1.27 0.00 0.00 123 A 8.77 3.74 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 0.00 124 G 8.13 3.63 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 0.00 0.00 0.00 125 Q 7.96 3.99 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 126 I 7.85 3.62 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.58 0.80 0.00 0.00 127 E 8.31 4.10 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 2.44 2.45 0.00 128 D 8.25 4.44 0.00 2.85 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 0.00 129 V 7.80 3.57 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 1.07 0.00 0.00 1.00 0.00 0.00 130 V 8.29 3.55 2.24 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 0.94 0.00 0.00 0.93 0.00 0.00 131 A 7.79 3.99 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 0.00 132 Y 8.06 4.19 0.00 3.29 3.18 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 0.00 133 L 8.21 3.76 0.00 1.86 1.66 0.94 1.22 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 0.00 134 M 7.72 4.30 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 135 T 7.45 4.28 4.14 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 1.16 0.00 0.00 136 L 7.21 4.25 0.00 1.63 1.52 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.66 4.39 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 1.16 0.00 0.00 138 Q 7.61 4.01 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00