NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8865 8.0549 120.3456 62.7968 31.4921 172.8024 2 H 4.5993 7.9473 119.1068 52.8594 31.4824 171.9628 3 L 4.4427 8.2100 125.4376 54.0085 43.5603 177.5848 4 T 4.1507 8.5991 113.0621 60.8541 70.8667 173.9054 5 P 4.1989 0.0000 0.0000 65.9132 31.2890 178.8011 6 E 3.9911 8.0760 115.8214 59.4166 29.5349 178.9085 7 E 3.9038 8.1607 119.5429 58.9591 29.4456 179.3497 8 K 3.8371 8.2038 118.6910 59.6113 32.0553 179.4596 9 S 4.0854 8.1437 115.0321 61.5294 62.7674 176.6997 10 A 3.9671 8.1407 123.4344 55.0623 18.1190 179.7263 11 V 3.4787 7.9749 117.0829 66.5718 31.5771 178.3965 12 T 3.9466 8.0986 115.1912 66.4806 68.0476 176.4801 13 A 4.0125 8.0705 121.8327 55.2145 18.7715 179.1698 14 L 3.9009 8.1364 118.8143 58.0361 42.1561 178.9361 15 W 4.4165 8.8600 128.6065 60.4100 30.4204 177.9942 16 G 3.8170 8.1739 104.9371 47.0840 0.0000 174.6320 17 K 4.4497 7.8227 117.9549 55.3850 33.0799 176.7330 18 V 3.6297 7.1207 120.4931 62.2841 32.0301 176.2080 19 N 4.4871 8.2313 125.3611 52.2541 38.2816 175.4289 20 V 3.3901 7.9067 127.0021 65.7150 31.7585 176.8108 21 D 4.3572 8.0669 118.0043 57.4913 40.7503 178.2787 22 E 3.8483 8.1164 118.8525 59.4743 29.5970 179.1077 23 V 3.5554 8.0747 118.7020 65.6608 31.4379 178.1676 24 G 3.7018 8.2695 105.7194 47.7773 0.0000 175.8153 25 G 3.6231 7.8242 108.3214 47.3925 0.0000 175.3514 26 E 3.8803 8.2432 121.6172 58.7802 29.6641 178.7603 27 A 3.9157 8.2119 121.1174 55.1374 18.5089 179.3990 28 L 3.9717 8.1502 119.1448 58.0488 42.1391 179.1766 29 G 3.6317 8.3030 106.0409 48.1841 0.0000 175.9100 30 R 3.9273 8.2860 121.2398 58.3165 29.8942 178.8462 31 L 4.0450 8.0257 120.4245 58.4336 42.1912 179.2324 32 L 4.0290 7.8283 119.7026 56.5550 41.2268 179.6498 33 V 3.5587 7.3116 117.8726 65.7204 31.7285 177.9339 34 V 3.5147 7.8402 116.9933 64.2842 32.8090 175.6428 35 Y 3.7325 7.3647 116.2873 54.4329 37.7570 174.3041 36 P 4.8795 0.0000 0.0000 64.4033 31.7920 178.4639 37 W 4.3723 8.1959 116.8100 59.6124 27.4833 177.7861 38 T 4.2265 7.6706 110.2953 63.9768 68.0919 176.0522 39 Q 4.3667 8.1969 121.5360 58.0735 28.4166 178.1101 40 R 3.7188 7.6497 117.1286 59.0803 29.1498 177.8374 41 F 4.3759 7.3095 115.3362 57.4468 39.4216 175.7282 42 F 4.4616 7.9509 118.3660 56.5915 39.9615 176.6677 43 E 3.9568 8.4987 124.4266 59.4401 29.4227 178.6574 44 S 4.4076 7.9837 111.0779 60.2133 63.3106 174.6383 45 F 4.6687 8.3471 119.2849 58.2744 39.9585 176.4695 46 G 4.0064 7.6119 106.6910 44.3801 0.0000 175.1609 47 D 4.4699 8.6436 126.6131 54.4522 40.9765 175.5524 48 L 4.9031 8.3262 127.3508 54.5307 42.9041 178.1089 49 S 4.3373 8.4760 116.3198 60.4921 63.5438 174.3289 50 T 4.7385 7.4404 110.2975 58.2658 73.0401 172.6689 51 P 4.1952 0.0000 0.0000 66.0568 31.3213 178.7521 52 D 4.3377 8.0747 116.8200 57.2089 40.5469 178.4660 53 A 3.9897 8.0036 120.6944 55.0185 18.6625 179.7181 54 V 3.6722 7.9881 116.7266 66.5800 31.5122 178.2858 55 M 3.9975 8.2539 117.4984 58.1088 31.8586 177.6741 56 G 3.8269 8.0059 104.6892 45.3383 0.0000 173.6071 57 N 4.3318 7.9217 120.0314 53.1026 39.6396 173.6296 58 P 4.2341 0.0000 0.0000 65.5407 31.4192 178.8361 59 K 3.6402 7.9303 117.0601 59.0234 31.8479 179.3532 60 V 3.6936 8.0391 118.5688 65.9866 31.3389 178.2966 61 K 3.9328 8.1423 117.9578 59.4421 31.8851 179.2722 62 A 3.9749 8.2579 121.4611 55.3724 18.2863 179.2155 63 H 4.2804 8.5780 117.2019 59.2601 29.8891 177.5206 64 G 3.7831 8.5495 108.0720 47.9265 0.0000 175.6392 65 K 3.9989 7.8807 120.5607 59.2296 32.0752 179.5562 66 K 3.9964 7.6537 118.1003 59.3825 31.9852 179.4937 67 V 3.6859 7.6793 118.3417 66.3012 31.5255 178.1913 68 L 4.3832 8.4508 118.9348 57.4288 41.3264 179.6613 69 G 3.7625 8.6332 106.2117 47.9249 0.0000 175.6420 70 A 4.0639 8.3238 123.5266 54.6117 18.3639 179.3701 71 F 4.1444 8.6772 119.3489 61.6249 39.2809 177.1618 72 S 4.0222 8.8521 111.5732 61.7117 62.5866 175.5258 73 D 4.5884 8.5574 121.7924 57.3968 40.4541 179.0851 74 G 3.5861 8.0492 106.0902 47.6028 0.0000 175.6302 75 L 3.6869 7.2165 119.4566 56.7937 41.5880 178.4174 76 A 4.2162 7.3956 118.3639 52.8158 19.5820 176.6832 77 H 4.8972 8.1780 115.3988 54.8513 29.7910 175.4027 78 L 3.9740 7.9327 119.4739 57.2381 41.9200 178.2995 79 D 4.6564 7.9006 116.1818 54.5832 42.0538 175.6640 80 N 5.0466 8.0441 117.8803 51.7153 39.2367 175.2584 81 L 4.1170 7.7863 121.6264 57.7853 42.0629 179.4355 82 K 4.0963 8.0278 117.4667 59.4304 32.3803 179.1396 83 G 3.6947 8.2041 105.8223 48.0056 0.0000 175.6801 84 T 3.6655 7.7152 117.2994 66.0470 68.7554 175.7267 85 F 4.5817 7.9448 116.8355 57.1737 39.1249 177.5802 86 A 4.0565 7.7777 123.2344 55.6392 18.2424 180.5531 87 T 3.8889 7.8282 107.7900 64.9031 68.8959 176.6993 88 L 4.1273 7.9348 121.4106 57.3338 41.7224 179.1625 89 S 4.3896 8.5793 115.0206 61.0728 62.4423 176.0178 90 E 3.9028 8.3175 121.2606 59.2574 29.1506 179.2489 91 L 3.8906 8.0627 120.2267 58.6401 42.2228 178.8770 92 H 4.2278 8.6330 116.3149 58.8092 28.1374 177.1658 93 C 3.6222 7.8404 120.8985 62.2686 31.1456 175.3383 94 D 4.3571 8.4820 120.4794 56.4272 40.5954 177.5437 95 K 4.2723 7.8976 117.2111 57.3642 33.4020 177.3898 96 L 4.2748 7.6871 116.0763 54.4225 42.7360 175.8456 97 H 4.1266 7.2325 113.5066 56.6993 26.5386 175.3867 98 V 3.8106 7.8819 118.5883 60.7667 32.3743 174.7368 99 D 4.2859 8.7821 127.1911 54.1298 41.4726 175.2994 100 P 3.2128 0.0000 0.0000 64.1422 31.8210 177.8628 101 E 3.8522 8.2763 119.3966 59.3370 29.2493 178.4107 102 N 4.2682 7.8813 116.4231 56.1329 38.4749 177.3036 103 F 4.4370 7.4379 119.3594 60.4297 39.0453 177.9840 104 R 3.9650 7.9138 117.4046 59.1200 30.0003 178.7365 105 L 3.8099 7.7136 118.7519 57.8205 41.6017 179.4709 106 L 4.0950 8.2072 120.3886 57.8717 42.0020 179.0883 107 G 3.6831 8.2085 105.8156 48.1198 0.0000 175.4776 108 N 4.5018 8.1463 118.8123 55.7112 38.4618 177.8096 109 V 3.6394 8.0274 119.9588 65.8260 31.5326 177.7572 110 L 3.8441 8.3594 120.5770 58.1164 41.8553 179.0928 111 V 3.5568 7.8881 118.1069 66.2781 31.4333 177.7363 112 C 4.0676 8.1564 116.3898 62.8326 27.9119 176.3712 113 V 3.5381 7.8645 119.9282 65.8597 31.0523 178.0815 114 L 3.8067 7.9658 118.8737 57.6164 41.3195 179.3524 115 A 3.6751 7.2905 120.6368 55.2536 18.0585 179.1959 116 H 4.1485 8.0489 115.8714 59.6902 29.9985 177.0219 117 H 4.0104 8.0994 117.1089 58.3997 28.8817 177.1149 118 F 4.5779 8.4538 118.3042 57.0273 39.6678 177.2610 119 G 3.8152 8.9073 108.4118 45.8727 0.0000 176.9456 120 K 3.9319 9.0028 121.3782 59.6780 32.3388 178.0174 121 E 4.0583 8.0366 119.2790 58.6697 30.0004 177.1359 122 F 4.5093 8.1948 123.0783 57.0341 37.8741 175.1602 123 T 4.1963 7.3297 115.6910 60.2186 71.3443 173.5577 124 P 4.1717 0.0000 0.0000 65.5593 31.3253 177.2333 125 P 4.2100 0.0000 0.0000 65.3225 31.2414 178.9254 126 V 3.4871 7.4614 117.0110 65.8319 31.4532 177.6772 127 Q 3.5485 7.8044 119.4719 59.1875 28.8922 178.3274 128 A 4.0405 8.0899 121.3741 55.0646 18.4161 179.4460 129 A 3.8702 7.9644 119.2046 55.6867 18.4269 179.5884 130 Y 3.9537 8.2163 115.1317 61.1308 37.9135 178.7535 131 Q 4.1331 8.8280 119.7176 58.8268 28.7610 178.7991 132 K 3.9549 8.0358 119.4591 59.3222 31.9827 179.4692 133 V 3.4645 7.6475 118.2464 66.2939 31.4428 178.6493 134 V 3.8154 8.3784 112.2177 64.1829 31.2629 178.5486 135 A 4.0859 8.2762 120.9767 55.0544 18.1709 179.9178 136 G 3.4606 8.2317 104.3860 47.8077 0.0000 176.1749 137 V 3.1360 8.0311 120.7567 65.5117 31.5329 177.9656 138 A 3.9213 8.0908 120.6802 55.2897 17.9957 179.3980 139 N 4.2872 8.1773 113.8903 56.2790 38.8865 177.2351 140 A 4.1493 8.1033 122.3242 55.2601 18.6128 179.7783 141 L 3.8534 8.0675 117.4748 57.3510 41.5979 179.0703 142 A 4.2921 7.9681 120.0054 54.0780 18.3806 178.8665 143 H 4.2986 8.1137 116.5581 58.4216 29.9428 175.8637 144 K 4.5037 8.0917 118.0923 56.1427 32.1690 176.2834 145 Y 4.1250 7.9684 117.2503 58.6342 38.3924 175.8691 146 H 4.4036 8.3652 117.0476 56.3381 28.0538 173.5255 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 V 8.05 3.89 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 0.97 0.00 0.00 0.87 0.00 0.00 2 H 7.95 4.60 0.00 3.16 3.15 0.00 5.94 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.21 4.44 0.00 1.55 1.52 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.60 4.15 4.38 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 1.25 0.00 0.00 5 P 0.00 4.20 0.00 2.16 2.13 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 6 E 8.08 3.99 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 7 E 8.16 3.90 0.00 2.25 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 2.29 2.32 0.00 8 K 8.20 3.84 0.00 1.92 1.80 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.54 7.81 9 S 8.14 4.09 0.00 4.02 3.91 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 10 A 8.14 3.97 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 11 V 7.97 3.48 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 0.58 0.00 0.00 0.32 0.00 0.00 12 T 8.10 3.95 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 13 A 8.07 4.01 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 14 L 8.14 3.90 0.00 1.92 1.93 0.16 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.86 4.42 0.00 3.82 3.22 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 16 G 8.17 3.82 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 17 K 7.82 4.45 0.00 2.17 2.09 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.50 7.81 18 V 7.12 3.63 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 -0.08 0.00 0.00 0.81 0.00 0.00 19 N 8.23 4.49 0.00 2.70 2.59 0.00 0.00 6.84 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 20 V 7.91 3.39 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 1.25 0.00 0.00 0.78 0.00 0.00 21 D 8.07 4.36 0.00 2.85 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 22 E 8.12 3.85 0.00 2.08 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 2.42 0.00 23 V 8.07 3.56 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 0.90 0.00 0.00 0.58 0.00 0.00 24 G 8.27 3.70 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 0.00 0.00 0.00 25 G 7.82 3.62 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 0.00 0.00 0.00 26 E 8.24 3.88 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 27 A 8.21 3.92 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 28 L 8.15 3.97 0.00 1.75 1.64 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.30 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 30 R 8.29 3.93 0.00 1.88 1.94 0.00 3.10 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 31 L 8.03 4.04 0.00 1.88 1.89 0.94 0.58 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 32 L 7.83 4.03 0.00 1.82 1.68 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.31 3.56 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 0.71 0.00 0.00 0.91 0.00 0.00 34 V 7.84 3.51 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 -0.11 0.00 0.00 0.78 0.00 0.00 35 Y 7.36 3.73 0.00 2.53 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.88 0.00 2.30 2.28 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 37 W 8.20 4.37 0.00 3.58 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.67 4.23 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 1.04 0.00 0.00 39 Q 8.20 4.37 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 40 R 7.65 3.72 0.00 1.64 1.97 0.00 3.02 0.00 0.00 2.67 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 41 F 7.31 4.38 0.00 2.00 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 0.00 0.00 0.00 42 F 7.95 4.46 0.00 2.85 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 0.00 0.00 0.00 0.00 43 E 8.50 3.96 0.00 1.96 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 2.39 2.33 0.00 44 S 7.98 4.41 0.00 4.17 4.07 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 45 F 8.35 4.67 0.00 3.19 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 G 7.61 4.01 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 0.00 0.00 0.00 47 D 8.64 4.47 0.00 2.67 2.64 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 48 L 8.33 4.90 0.00 1.66 1.62 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.48 4.34 0.00 4.00 4.01 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 50 T 7.44 4.74 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 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 52 D 8.07 4.34 0.00 2.67 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 53 A 8.00 3.99 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 54 V 7.99 3.67 2.21 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 1.04 0.00 0.00 0.97 0.00 0.00 55 M 8.25 4.00 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.80 0.00 56 G 8.01 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.92 4.33 0.00 3.10 2.86 0.00 0.00 7.17 7.72 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 58 P 0.00 4.23 0.00 2.13 2.04 0.00 3.62 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 2.08 2.15 0.00 59 K 7.93 3.64 0.00 1.56 0.74 0.00 1.75 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.32 7.81 60 V 8.04 3.69 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 1.07 0.00 0.00 1.09 0.00 0.00 61 K 8.14 3.93 0.00 1.95 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.52 7.81 62 A 8.26 3.97 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 63 H 8.58 4.28 0.00 3.53 3.52 0.00 5.81 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 64 G 8.55 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 65 K 7.88 4.00 0.00 1.97 1.90 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.63 1.63 7.81 66 K 7.65 4.00 0.00 2.04 1.89 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.47 7.81 67 V 7.68 3.69 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.06 0.00 0.00 68 L 8.45 4.38 0.00 2.00 1.89 1.15 1.30 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 69 G 8.63 3.76 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 0.00 0.00 0.00 70 A 8.32 4.06 1.56 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 71 F 8.68 4.14 0.00 3.28 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.85 4.02 0.00 4.56 4.28 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 73 D 8.56 4.59 0.00 2.84 2.64 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 74 G 8.05 3.59 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 0.00 0.00 0.00 75 L 7.22 3.69 0.00 1.41 1.40 -0.55 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.40 4.22 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 77 H 8.18 4.90 0.00 3.09 3.15 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.93 3.97 0.00 1.52 1.65 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.90 4.66 0.00 2.64 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 80 N 8.04 5.05 0.00 2.71 2.61 0.00 0.00 7.12 6.26 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 81 L 7.79 4.12 0.00 1.74 1.79 0.86 0.89 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 82 K 8.03 4.10 0.00 1.66 1.77 0.00 1.64 0.00 0.00 1.32 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.44 7.81 83 G 8.20 3.69 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 0.00 0.00 0.00 84 T 7.72 3.67 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 0.43 0.00 0.00 85 F 7.94 4.58 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 86 A 7.78 4.06 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 87 T 7.83 3.89 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 1.20 0.00 0.00 88 L 7.93 4.13 0.00 2.01 1.90 1.08 0.95 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 89 S 8.58 4.39 0.00 4.14 4.12 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 90 E 8.32 3.90 0.00 2.22 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 2.49 0.00 91 L 8.06 3.89 0.00 1.88 1.86 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.63 4.23 0.00 3.63 3.79 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.84 3.62 0.00 1.23 2.50 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 94 D 8.48 4.36 0.00 2.67 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 95 K 7.90 4.27 0.00 1.82 1.80 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.51 7.81 96 L 7.69 4.27 0.00 1.71 1.64 0.73 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.23 4.13 0.00 3.44 3.43 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.88 3.81 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 0.03 0.00 0.00 0.46 0.00 0.00 99 D 8.78 4.29 0.00 2.78 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 0.00 100 P 0.00 3.21 0.00 1.94 1.91 0.00 3.33 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 101 E 8.28 3.85 0.00 2.02 1.90 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 2.29 2.36 0.00 102 N 7.88 4.27 0.00 2.45 2.67 0.00 0.00 6.92 7.52 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 0.00 103 F 7.44 4.44 0.00 3.09 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 0.00 104 R 7.91 3.96 0.00 1.94 1.97 0.00 3.12 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 105 L 7.71 3.81 0.00 1.69 1.30 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.21 4.10 0.00 1.86 1.72 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.21 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 0.00 0.00 0.00 108 N 8.15 4.50 0.00 2.83 2.94 0.00 0.00 6.71 7.02 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 0.00 109 V 8.03 3.64 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 1.14 0.00 0.00 1.18 0.00 0.00 110 L 8.36 3.84 0.00 1.68 1.76 0.85 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.89 3.56 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.13 0.00 0.00 112 C 8.16 4.07 0.00 3.19 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 0.00 113 V 7.86 3.54 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 0.89 0.00 0.00 0.92 0.00 0.00 114 L 7.97 3.81 0.00 1.05 1.12 0.68 0.85 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 0.00 115 A 7.29 3.68 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 0.00 116 H 8.05 4.15 0.00 3.20 3.44 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.10 4.01 0.00 2.81 2.61 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.45 4.58 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.91 3.82 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 0.00 120 K 9.00 3.93 0.00 1.92 2.03 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.43 7.81 121 E 8.04 4.06 0.00 2.07 2.42 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 2.29 2.28 0.00 122 F 8.19 4.51 0.00 3.09 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 0.00 123 T 7.33 4.20 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 1.32 0.00 0.00 124 P 0.00 4.17 0.00 2.16 2.14 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 P 0.00 4.21 0.00 2.11 2.06 0.00 3.49 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 2.08 2.11 0.00 126 V 7.46 3.49 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 0.92 0.00 0.00 0.88 0.00 0.00 127 Q 7.80 3.55 0.00 1.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 128 A 8.09 4.04 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 0.00 129 A 7.96 3.87 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 0.00 130 Y 8.22 3.95 0.00 3.34 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 0.00 131 Q 8.83 4.13 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 132 K 8.04 3.95 0.00 1.98 1.81 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 133 V 7.65 3.46 2.20 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 0.88 0.00 0.00 0.71 0.00 0.00 134 V 8.38 3.82 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 1.08 0.00 0.00 1.10 0.00 0.00 135 A 8.28 4.09 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 0.00 136 G 8.23 3.46 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 0.00 137 V 8.03 3.14 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 0.39 0.00 0.00 0.68 0.00 0.00 138 A 8.09 3.92 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 0.00 139 N 8.18 4.29 0.00 2.85 2.89 0.00 0.00 7.04 7.86 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 0.00 140 A 8.10 4.15 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 0.00 141 L 8.07 3.85 0.00 0.78 0.33 -0.01 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.97 4.29 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 0.00 143 H 8.11 4.30 0.00 3.40 3.50 0.00 5.74 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 0.00 144 K 8.09 4.50 0.00 1.83 1.84 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.72 7.81 145 Y 7.97 4.13 0.00 3.14 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 0.00 146 H 8.37 4.40 0.00 3.22 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00