NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4099 8.2893 120.3486 55.3883 33.1525 174.6989 2 N 4.6912 8.5845 123.9287 51.3617 39.0257 172.9571 3 I 4.6092 8.7739 120.9349 59.6100 42.0007 176.2975 4 I 4.3680 8.3243 123.7253 59.6280 38.5461 175.1693 5 K 4.4398 8.6114 124.8980 54.3998 33.9747 176.2681 6 A 4.5475 8.3936 126.5297 50.8552 20.6541 175.0797 7 N 5.0416 8.1904 116.8481 51.9624 41.7770 175.6530 8 V 3.9199 8.1007 113.9582 62.4557 32.3597 176.3063 9 A 4.2568 8.0226 123.6841 52.0352 18.7209 177.8901 10 A 4.5843 8.2266 121.8044 51.3028 21.6661 174.1271 11 P 4.6997 0.0000 0.0000 64.9961 32.1632 178.9120 12 D 4.5826 8.0678 115.1811 54.3596 40.4953 175.8087 13 A 4.6046 7.6773 124.6457 51.8959 20.1619 178.2447 14 R 4.8422 9.4377 120.7226 55.1014 32.7462 175.9080 15 V 4.9470 9.0039 124.4097 60.0030 35.0306 173.9259 16 A 4.9701 8.5229 128.3022 50.0905 21.5664 175.2584 17 I 4.8243 8.6608 123.6198 59.6043 39.4192 174.6788 18 T 4.8022 8.5767 117.9498 60.0221 70.8076 173.5092 19 I 4.6647 7.9854 126.7093 59.0034 40.4625 174.5627 20 A 5.0146 8.3874 128.6367 51.4551 18.8429 178.1574 21 R 4.4399 9.3143 119.7383 58.5305 30.2367 177.0372 22 F 4.6428 8.2071 121.2584 59.8622 39.6991 174.3193 23 N 4.6376 9.8569 123.7757 54.5403 35.6529 176.0341 24 Q 4.1517 8.4045 120.6017 59.5832 28.0362 178.0342 25 F 3.6850 8.4557 121.2667 61.2181 39.4329 176.5332 26 I 4.2184 8.3128 118.6817 63.7475 37.4173 177.8894 27 N 4.4141 8.1734 116.5991 56.0994 38.3153 176.9949 28 D 4.5190 8.9235 121.5744 57.6210 40.9887 178.7663 29 S 4.0734 7.9764 112.9819 61.0622 62.4168 175.4606 30 L 4.0520 7.7879 123.2082 58.6752 41.6727 178.2780 31 L 3.8580 8.5315 120.5434 57.6706 41.9362 178.6141 32 D 4.5092 8.4995 118.5220 57.3378 40.9295 179.7343 33 G 3.6251 8.1062 105.7951 47.7967 0.0000 175.4098 34 A 3.9319 7.7732 123.2823 54.6231 18.5302 179.4229 35 V 3.4609 7.9643 116.9845 66.2802 31.5765 177.2704 36 D 4.3110 8.1630 117.2635 57.7551 40.9692 177.7774 37 A 3.8925 8.2715 120.9027 55.8935 18.3624 179.0157 38 L 3.8406 8.4605 116.3811 59.4685 41.8592 179.8110 39 T 4.2006 8.3654 110.9950 63.8372 68.5849 176.1968 40 R 3.8510 8.0914 124.0010 58.4429 30.6639 178.1624 41 I 4.0367 7.9683 116.9737 63.6908 37.6885 177.1671 42 G 3.7759 7.9626 106.5776 44.9687 0.0000 173.8649 43 Q 3.6588 8.2228 119.7030 56.5353 28.0039 172.8419 44 V 3.8526 7.5242 116.7478 61.8576 32.1609 175.2361 45 K 4.2684 8.5802 128.9420 56.3317 32.5504 176.5853 46 D 4.6795 8.8033 124.3936 53.9955 39.1232 176.2144 47 D 4.7865 7.9790 117.2529 53.7826 40.1626 176.3246 48 N 4.7147 8.4715 117.8051 53.6414 39.3422 174.0821 49 I 4.8807 7.5831 120.2563 60.2542 38.4585 175.2067 50 T 4.7253 8.7796 117.1853 59.7115 71.9534 172.9583 51 V 4.6416 8.4130 123.5692 61.0274 34.2442 174.5529 52 V 4.3165 9.0342 128.5658 60.7748 33.9015 174.4469 53 W 4.8624 8.9886 129.0575 56.5613 29.5799 176.4693 54 V 4.3936 8.6142 119.0376 59.0791 33.6768 174.8483 55 P 4.3156 0.0000 0.0000 65.1957 31.3689 176.8538 56 G 4.4958 7.9744 108.4954 42.6980 0.0000 174.0860 57 A 4.0503 8.4951 120.7184 54.9021 18.0616 179.3049 58 Y 4.2047 8.1572 117.1623 60.7593 39.2157 177.4606 59 E 4.1002 8.1897 118.9650 57.7915 29.6249 178.5042 60 L 3.8987 7.5771 120.0091 58.1114 41.6358 177.0745 61 P 4.1596 0.0000 0.0000 65.0994 31.1427 177.9137 62 L 3.9050 7.7449 117.8611 58.4732 42.2136 179.1590 63 A 3.9813 7.8310 120.2465 55.6652 18.3621 179.8536 64 T 3.8417 8.2497 108.3650 64.4544 68.7247 176.2786 65 E 3.8447 9.0172 123.0482 59.1631 29.6477 178.2134 66 A 4.0038 8.0169 120.7053 55.6238 18.1821 179.5145 67 L 4.0770 7.5781 114.8196 57.9950 41.9727 179.5310 68 A 4.2271 8.2637 120.6074 55.1389 18.2333 179.8090 69 K 3.9354 8.2508 116.2808 59.6248 32.1378 178.9137 70 S 4.2029 8.1034 112.9821 59.5622 61.4330 175.8956 71 G 3.9586 8.4861 110.5471 46.2548 0.0000 176.0707 72 K 3.9328 7.6584 120.0742 56.3368 31.8602 182.1844 73 Y 5.0901 6.9372 113.9125 56.7901 40.6075 175.4906 74 D 4.7197 9.1837 121.8467 55.8361 41.8025 176.4295 75 A 4.5270 7.2844 117.8483 51.3145 22.4801 175.1039 76 V 4.7487 8.1753 119.8187 61.0372 34.6438 174.5017 77 V 4.3312 8.8725 128.3701 61.5997 33.3658 174.1955 78 A 4.9253 8.6055 130.1829 49.7235 20.7903 175.2372 79 L 5.2368 8.0221 123.1003 52.5462 44.5289 176.4259 80 G 4.1936 7.6409 108.6602 46.0811 0.0000 171.7938 81 T 5.1211 8.5228 115.8791 61.5345 72.1167 174.4132 82 V 4.2206 9.0492 125.0432 61.3584 34.1082 173.8677 83 I 4.6954 8.1886 128.6436 59.5710 38.6787 175.9890 84 R 3.6113 8.4949 127.8271 56.6037 30.2694 176.3560 85 G 4.4008 8.3389 116.2516 44.2704 0.0000 172.9752 86 G 3.6335 8.7779 107.6538 47.5123 0.0000 173.2708 87 T 4.5276 7.5988 108.3306 59.7163 71.5082 173.4801 88 A 4.4725 8.3597 121.2610 52.7222 18.8563 178.5445 89 H 4.2418 8.3617 119.8185 60.4159 29.7886 176.8532 90 F 4.0073 8.4913 121.8195 61.5958 38.9669 176.6730 91 E 3.5965 8.0149 118.4482 59.5058 29.3729 178.3828 92 Y 4.3235 7.3868 115.9257 60.8385 38.2506 177.4020 93 V 3.6712 7.7271 119.4346 65.8041 31.5460 177.7369 94 A 4.0814 7.8806 120.1521 55.1995 18.1312 179.7301 95 G 3.6072 8.0754 104.6170 47.8111 0.0000 176.1315 96 G 3.8642 8.6312 108.3690 45.8804 0.0000 174.8919 97 A 4.2587 7.8304 122.5816 54.4017 19.6007 179.1068 98 S 4.0757 8.2441 111.8390 61.8938 62.4086 176.2956 99 N 4.4377 8.4434 119.2545 55.9883 38.3163 177.3660 100 G 3.7324 7.7630 107.1075 48.0863 0.0000 175.4492 101 L 3.9947 8.0333 121.6097 57.2548 41.8704 179.5986 102 A 3.9921 8.0243 120.5384 55.1218 18.2512 179.5801 103 S 3.9471 8.2584 111.6070 61.4895 62.4699 176.1479 104 V 3.5466 7.7977 120.7312 66.2634 31.1399 177.7603 105 A 4.3007 7.8176 121.1286 54.8059 18.0137 179.4220 106 Q 3.9012 7.6777 116.4657 59.2057 29.1440 177.8403 107 D 4.5247 8.0301 119.3840 57.0383 41.2563 178.4757 108 S 4.3594 8.3490 112.8120 58.6165 63.4738 175.4677 109 G 3.8777 8.0628 109.5772 45.7788 0.0000 173.6996 110 V 3.9803 7.5466 121.0348 61.5491 33.0394 173.6070 111 P 4.4717 0.0000 0.0000 62.6601 32.4947 175.1565 112 V 4.8686 8.3921 123.6265 61.0150 34.0038 174.2617 113 A 4.4127 8.8557 130.4115 51.0671 20.2762 176.2413 114 F 4.7891 9.0118 126.7799 56.2103 38.4720 175.9055 115 G 3.9482 8.0683 117.9744 44.8588 0.0000 170.9560 116 V 4.5935 6.0558 117.5093 60.5922 33.8497 176.0816 117 L 4.2501 8.8533 129.6678 55.0979 42.7579 176.6456 118 T 5.0252 8.7380 112.7412 58.6962 68.7370 172.6213 119 T 4.5942 8.1416 120.8878 61.0413 72.0589 175.1403 120 E 4.0820 9.7094 120.5676 57.3229 30.4562 177.2651 121 S 4.7089 7.5919 112.0080 55.5956 67.6430 174.8011 122 I 3.6921 8.2302 123.1378 64.2516 36.5859 177.9555 123 E 3.9210 8.2009 119.0897 59.7840 29.6548 178.6552 124 Q 4.2857 8.1575 117.3816 58.7995 28.7741 178.5521 125 A 4.0107 7.8051 121.6557 55.4690 18.2885 179.7196 126 I 3.7540 7.8998 118.1020 64.6879 37.1051 178.5472 127 E 4.5405 8.0479 120.2537 58.1075 29.2828 178.4175 128 R 4.5247 7.9350 115.7486 55.7223 30.4864 176.7329 129 A 4.7990 7.1876 121.7642 52.7239 19.4452 177.0612 130 G 4.4416 7.8902 108.1991 48.0949 0.0000 175.4241 131 T 4.5875 7.5813 114.8603 60.0267 68.9041 175.8084 132 K 3.7955 9.1675 117.0569 59.3257 31.8325 177.8084 133 A 4.5778 7.8031 119.3479 52.0230 20.0185 178.9021 134 G 3.7360 8.2076 110.5970 47.3399 0.0000 173.8977 135 N 5.2809 8.2521 118.2321 50.9733 41.1301 175.6399 136 K 4.0157 8.9407 129.1002 59.1666 32.0334 178.9973 137 G 4.0943 8.2921 107.8539 47.3590 0.0000 175.5619 138 A 4.0264 7.8583 123.1749 54.2589 18.4205 179.2597 139 E 3.8646 8.4982 118.0433 59.3485 29.7363 178.8890 140 A 4.0242 8.5688 122.4325 54.4732 18.4311 179.3433 141 A 3.9178 8.2122 119.5459 55.3538 18.3541 179.9614 142 L 3.9316 7.9132 117.6152 58.1730 41.3482 179.8807 143 T 3.8432 8.2268 109.5759 64.5314 68.5189 176.1729 144 A 3.9963 8.0542 123.8994 55.0396 18.3093 179.1104 145 L 3.8890 7.8619 116.8039 58.2236 41.7765 179.3526 146 E 4.1885 8.3201 120.2401 59.0646 29.4507 178.9690 147 M 4.0370 8.0431 118.2817 58.3210 31.9318 178.3723 148 I 3.6762 7.8105 120.0436 64.9165 37.2876 178.1355 149 N 4.3270 7.9447 116.8426 56.1910 38.1442 177.6071 150 V 3.5775 7.7844 119.0283 66.1687 31.8660 177.8425 151 L 4.0743 8.5069 119.0033 57.6696 41.3530 179.2515 152 K 3.9271 8.1882 119.0528 59.4988 32.1995 176.9561 153 A 4.4688 8.0774 120.2886 51.8295 19.4658 177.2455 154 I 3.8614 7.7381 120.8819 63.2054 37.7805 173.9049 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 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.69 0.00 2.95 2.79 0.00 0.00 6.05 6.93 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 3 I 8.77 4.61 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 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.37 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 1.41 0.61 0.91 0.00 0.00 5 K 8.61 4.44 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.55 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 7 N 8.19 5.04 0.00 2.73 2.64 0.00 0.00 6.86 7.71 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 8 V 8.10 3.92 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 0.76 0.00 0.00 0.93 0.00 0.00 9 A 8.02 4.26 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 10 A 8.23 4.58 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 11 P 0.00 4.70 0.00 2.23 2.38 0.00 3.86 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 2.07 1.94 0.00 12 D 8.07 4.58 0.00 2.69 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 A 7.68 4.60 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 14 R 9.44 4.84 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 9.00 4.95 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 0.95 0.00 0.00 16 A 8.52 4.97 0.28 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 17 I 8.66 4.82 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.88 0.73 0.00 0.00 18 T 8.58 4.80 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 1.09 0.00 0.00 19 I 7.99 4.66 0.74 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.22 0.37 0.00 0.00 20 A 8.39 5.01 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 21 R 9.31 4.44 0.00 2.09 2.52 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.21 4.64 0.00 3.17 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 23 N 9.86 4.64 0.00 2.97 2.99 0.00 0.00 6.88 8.19 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 24 Q 8.40 4.15 0.00 2.51 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.46 3.68 0.00 3.13 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 26 I 8.31 4.22 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.88 0.96 0.00 0.00 27 N 8.17 4.41 0.00 2.88 2.91 0.00 0.00 7.10 8.08 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 28 D 8.92 4.52 0.00 2.64 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 29 S 7.98 4.07 0.00 3.82 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 30 L 7.79 4.05 0.00 1.93 1.63 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.53 3.86 0.00 1.77 1.79 0.77 1.09 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 32 D 8.50 4.51 0.00 2.87 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 33 G 8.11 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 34 A 7.77 3.93 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 35 V 7.96 3.46 2.07 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 0.98 0.00 0.00 0.95 0.00 0.00 36 D 8.16 4.31 0.00 2.82 2.89 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 37 A 8.27 3.89 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 38 L 8.46 3.84 0.00 1.87 1.72 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.37 4.20 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 1.26 0.00 0.00 40 R 8.09 3.85 0.00 1.81 2.24 0.00 3.25 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 7.97 4.04 2.09 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 1.23 0.96 0.91 0.00 0.00 42 G 7.96 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 43 Q 8.22 3.66 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.52 3.85 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 0.92 0.00 0.00 1.05 0.00 0.00 45 K 8.58 4.27 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.68 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.98 4.79 0.00 2.79 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 48 N 8.47 4.71 0.00 2.89 3.00 0.00 0.00 6.91 6.88 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 49 I 7.58 4.88 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.78 4.73 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 1.50 0.00 0.00 51 V 8.41 4.64 2.07 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 0.48 0.00 0.00 0.84 0.00 0.00 52 V 9.03 4.32 1.98 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.86 0.00 3.21 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 54 V 8.61 4.39 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.09 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.32 0.00 3.74 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 2.16 2.05 0.00 56 G 7.97 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.50 4.05 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 58 Y 8.16 4.20 0.00 2.93 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 59 E 8.19 4.10 0.00 2.00 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 2.64 2.58 0.00 60 L 7.58 3.90 0.00 1.76 1.71 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.16 0.00 2.02 1.87 0.00 3.66 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 2.07 2.10 0.00 62 L 7.74 3.91 0.00 1.62 1.67 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.83 3.98 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 64 T 8.25 3.84 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 1.25 0.00 0.00 65 E 9.02 3.84 0.00 2.05 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 2.31 2.33 0.00 66 A 8.02 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 67 L 7.58 4.08 0.00 1.75 1.66 0.64 0.75 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 68 A 8.26 4.23 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 69 K 8.25 3.94 0.00 1.86 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.60 7.81 70 S 8.10 4.20 0.00 3.92 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 0.00 71 G 8.49 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 72 K 7.66 3.93 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.94 5.09 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.18 4.72 0.00 2.55 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 75 A 7.28 4.53 1.20 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 0.00 0.00 76 V 8.18 4.75 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 0.91 0.00 0.00 0.85 0.00 0.00 77 V 8.87 4.33 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.61 4.93 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 79 L 8.02 5.24 0.00 1.39 1.40 0.80 0.73 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 80 G 7.64 4.19 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 0.00 81 T 8.52 5.12 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 1.20 0.00 0.00 82 V 9.05 4.22 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 0.92 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.70 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 1.24 0.69 0.84 0.00 0.00 84 R 8.49 3.61 0.00 0.67 1.39 0.00 3.06 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.34 4.40 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 0.00 86 G 8.78 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 87 T 7.60 4.53 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 1.24 0.00 0.00 88 A 8.36 4.47 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 89 H 8.36 4.24 0.00 3.28 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.49 4.01 0.00 3.10 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 91 E 8.01 3.60 0.00 1.93 1.12 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 2.00 2.17 0.00 92 Y 7.39 4.32 0.00 2.98 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 93 V 7.73 3.67 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 1.04 0.00 0.00 0.77 0.00 0.00 94 A 7.88 4.08 0.96 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 95 G 8.08 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 96 G 8.63 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 0.00 0.00 0.00 97 A 7.83 4.26 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 98 S 8.24 4.08 0.00 3.70 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 99 N 8.44 4.44 0.00 2.80 2.83 0.00 0.00 6.96 7.33 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 0.00 100 G 7.76 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 0.00 101 L 8.03 3.99 0.00 1.88 1.81 1.05 1.03 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 0.00 102 A 8.02 3.99 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 0.00 103 S 8.26 3.95 0.00 3.98 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 0.00 104 V 7.80 3.55 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 1.06 0.00 0.00 0.98 0.00 0.00 105 A 7.82 4.30 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.68 3.90 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.03 4.52 0.00 2.70 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 0.00 108 S 8.35 4.36 0.00 4.02 4.04 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 G 8.06 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 0.00 110 V 7.55 3.98 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 0.96 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.47 0.00 2.12 1.97 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.87 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 0.81 0.00 0.00 0.98 0.00 0.00 113 A 8.86 4.41 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 0.00 114 F 9.01 4.79 0.00 3.00 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 0.00 115 G 8.07 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 0.00 116 V 6.06 4.59 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 0.69 0.00 0.00 -0.02 0.00 0.00 117 L 8.85 4.25 0.00 1.60 1.58 0.94 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.74 5.03 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 1.24 0.00 0.00 119 T 8.14 4.59 4.41 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 1.22 0.00 0.00 120 E 9.71 4.08 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 121 S 7.59 4.71 0.00 3.95 3.85 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 0.00 122 I 8.23 3.69 1.84 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 1.47 0.74 0.86 0.00 0.00 123 E 8.20 3.92 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.16 4.29 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.81 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.90 3.75 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.92 0.99 0.00 0.00 127 E 8.05 4.54 0.00 2.25 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 0.00 2.34 2.38 0.00 128 R 7.93 4.52 0.00 1.88 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.19 4.80 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.89 4.44 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 0.00 131 T 7.58 4.59 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 1.23 0.00 0.00 132 K 9.17 3.80 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.80 4.58 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 0.00 134 G 8.21 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.25 5.28 0.00 2.69 2.65 0.00 0.00 6.94 7.23 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 0.00 136 K 8.94 4.02 0.00 1.82 1.81 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.47 7.81 137 G 8.29 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 0.00 0.00 0.00 138 A 7.86 4.03 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 0.00 139 E 8.50 3.86 0.00 2.03 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 2.31 2.33 0.00 140 A 8.57 4.02 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 0.00 141 A 8.21 3.92 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 0.00 142 L 7.91 3.93 0.00 2.02 1.72 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.23 3.84 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 1.24 0.00 0.00 144 A 8.05 4.00 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 0.00 145 L 7.86 3.89 0.00 1.86 1.90 0.94 0.85 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 0.00 146 E 8.32 4.19 0.00 2.02 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 2.32 2.24 0.00 147 M 8.04 4.04 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 148 I 7.81 3.68 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.90 0.92 0.00 0.00 149 N 7.94 4.33 0.00 2.89 2.86 0.00 0.00 6.74 7.82 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 0.00 150 V 7.78 3.58 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 0.83 0.00 0.00 0.97 0.00 0.00 151 L 8.51 4.07 0.00 1.92 1.69 0.93 0.73 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 0.00 152 K 8.19 3.93 0.00 1.83 2.09 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 8.08 4.47 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 0.00 154 I 7.74 3.86 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 1.16 0.73 0.91 0.00 0.00