NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3903 8.2601 123.5849 52.1118 21.1088 177.6721 2 A 4.1971 9.3332 125.6088 49.7878 17.4868 180.0880 3 S 4.6888 8.9895 110.5532 56.8091 67.0630 173.5985 4 C 4.3490 8.4812 121.4459 56.7558 40.3882 173.9159 5 T 4.3064 8.5787 118.2660 60.8655 70.8036 175.4714 6 T 3.8015 8.3575 118.2993 67.0466 68.4983 176.2200 7 E 3.9506 8.2434 119.6539 59.7263 29.3989 179.0111 8 D 4.3480 8.0990 118.4875 57.6779 40.9568 179.0986 9 R 3.7485 8.2801 118.6996 59.2637 30.1094 179.0347 10 R 3.8608 8.0217 118.2583 59.4612 30.0220 178.3013 11 E 3.9444 8.1723 118.1955 59.6656 29.5789 178.6386 12 M 4.1052 8.7704 118.8712 59.2997 32.1313 178.1463 13 Q 4.1159 8.6934 117.9783 59.0808 28.7882 179.3569 14 L 4.0582 7.9584 119.5214 58.2062 41.2936 178.9746 15 M 4.1374 8.3999 118.8480 58.5864 32.1183 178.8636 16 W 4.4766 8.6916 128.0411 60.7358 30.8966 178.2613 17 G 3.9031 8.4489 104.5567 48.1949 0.0000 174.8488 18 N 4.5887 8.3756 117.8563 55.8418 38.7372 177.1584 19 V 3.9052 7.0827 111.9199 60.8510 32.4357 176.5016 20 W 3.8260 7.3106 129.0206 57.0112 31.0383 175.1592 21 S 4.3741 7.1157 119.1995 56.2006 62.5557 173.6409 22 A 4.3419 8.5813 131.4924 54.2281 18.5368 177.7101 23 Q 4.2746 7.9370 112.7010 56.0657 30.3367 175.4523 24 F 4.7950 7.3904 114.3936 55.0215 43.0336 175.3906 25 T 4.2153 8.5229 112.0038 63.3252 69.0354 176.2245 26 G 3.6429 8.4036 106.4696 49.3011 0.0000 175.1159 27 R 3.8454 7.8688 117.6211 58.6949 30.6253 178.7852 28 R 3.7584 7.8229 116.8857 59.7169 29.9656 178.7137 29 I 3.6754 7.9660 118.7074 64.3751 37.1894 178.2550 30 A 3.9615 8.0451 121.4514 55.3495 18.1903 179.8638 31 I 3.5159 8.2056 118.1879 64.3356 37.1713 178.2959 32 A 3.8396 8.3976 121.9613 55.4171 18.1183 179.7033 33 Q 4.0453 8.4173 116.3672 59.1970 28.7544 178.7034 34 A 3.8240 7.8111 121.6873 55.4354 18.1957 179.7415 35 V 3.0976 7.4744 116.4431 65.9113 31.5638 178.0839 36 F 3.7523 7.7925 117.3874 60.3657 38.6621 177.5479 37 K 3.8728 8.6684 119.5435 59.7599 31.4293 178.3133 38 D 4.2746 7.7982 117.8776 56.8990 41.0780 177.9292 39 L 3.9445 7.9804 121.3312 58.3675 41.9957 179.0699 40 F 4.6461 8.2950 116.1235 60.4269 38.8010 177.2670 41 A 4.2369 7.6032 120.2011 54.8076 18.4631 178.6715 42 N 4.8680 7.9382 111.8489 53.3746 40.0017 176.0420 43 V 4.3259 7.8370 120.4044 59.4879 32.0243 173.2864 44 P 4.0957 0.0000 0.0000 66.4601 31.2544 178.0544 45 D 4.4661 8.0298 115.5637 53.4994 39.8943 178.1119 46 A 4.1355 8.2966 123.7673 55.7340 18.4757 179.8478 47 V 2.9768 7.2292 115.8980 66.0507 31.0740 178.1769 48 G 3.7016 7.4647 102.5358 46.8621 0.0000 174.9978 49 L 4.0937 8.1808 120.8295 56.3514 42.0293 177.5656 50 F 4.8357 7.9469 117.4377 57.2686 40.3374 178.6613 51 G 3.5351 8.0502 107.0766 48.0036 0.0000 175.3892 52 A 4.1864 8.0791 121.5349 53.7699 18.3773 178.0133 53 V 4.3770 7.4548 109.9754 61.8468 33.2266 175.7809 54 K 3.7346 8.1586 115.2411 57.6658 29.7941 176.6102 55 G 3.0632 8.1823 104.6822 46.8645 0.0000 173.7078 56 D 4.2619 7.5275 120.1562 56.7581 41.3909 177.5333 57 E 4.3537 7.5180 120.9900 54.3449 27.9933 176.9259 58 V 3.5739 7.8273 115.4380 63.5985 32.0946 176.6691 59 N 4.8422 8.0228 116.2505 53.2272 39.1486 175.2737 60 S 4.4503 8.5573 113.5442 58.3459 65.1627 174.7135 61 N 4.3323 8.7531 121.4644 56.6887 38.2879 177.1653 62 E 4.0054 8.3628 119.4246 59.8301 29.5475 179.3065 63 F 4.3790 8.2631 119.8267 60.8867 39.4264 177.3336 64 K 3.8326 8.5556 118.4399 59.6270 31.9068 178.7970 65 A 4.0321 8.3168 121.1389 55.5808 18.1614 179.1492 66 H 4.0557 7.9150 116.1588 59.6207 30.0170 176.8874 67 C 3.9149 8.2015 118.7660 63.1451 27.9638 176.0531 68 I 3.7067 8.0261 121.3343 64.9455 36.7355 178.5522 69 R 3.9848 8.1227 118.4456 59.1925 29.7734 179.3791 70 V 3.6427 8.2081 118.4379 66.1107 31.7052 178.0230 71 V 3.9578 8.4669 118.3863 66.2890 31.2384 177.4452 72 N 4.7110 8.7894 116.8243 56.7932 38.9224 176.8149 73 G 3.7517 8.2860 107.1992 48.0328 0.0000 175.2723 74 L 3.7230 8.1881 123.1930 57.4541 41.8924 178.5058 75 D 4.0435 8.1566 118.0248 57.3278 41.1693 178.0291 76 S 4.0560 8.2163 116.2566 61.7954 62.6694 177.1025 77 S 3.9003 7.5000 114.7203 61.5164 63.2172 175.8665 78 I 3.6283 7.5754 124.7552 63.8919 36.4254 178.7088 79 G 3.5567 8.1140 106.3413 47.4224 0.0000 174.8501 80 L 4.1891 7.7418 120.9751 56.2480 41.9355 178.4253 81 L 3.9723 7.3489 117.6938 58.2410 41.5810 178.6695 82 S 4.4166 7.4544 112.1053 59.2485 64.4662 174.0035 83 D 4.7267 8.1284 121.4777 50.4085 41.3179 173.2762 84 P 4.1179 0.0000 0.0000 65.5257 31.3659 177.4265 85 A 3.9429 8.0463 118.7284 55.9227 18.1551 179.7183 86 T 3.6907 7.7505 112.6613 66.1228 68.4961 176.9544 87 L 3.8463 7.9534 122.6161 58.2537 42.0849 178.5659 88 N 4.2096 8.5066 116.6173 56.5426 38.5343 177.1256 89 E 3.9195 7.6266 119.1816 59.4261 29.6143 179.1091 90 Q 3.9335 8.1273 119.5215 59.4015 29.1316 178.5296 91 L 3.9621 8.5686 120.3040 57.6856 41.5753 179.4166 92 S 4.0959 8.1420 113.2674 61.4235 62.2408 175.7404 93 H 4.0904 8.2770 120.8745 59.3921 29.6194 177.1055 94 L 4.0146 8.0154 120.5319 57.7504 41.3300 179.3451 95 A 4.6969 8.2360 122.2509 55.0970 18.2227 179.7418 96 T 3.7894 7.9491 114.0082 67.0426 68.3277 176.8947 97 Q 4.0650 8.1326 118.5319 58.7649 28.9306 177.8381 98 H 4.6473 8.0258 116.3593 57.4243 29.1715 177.5783 99 K 4.0715 8.1707 119.7940 59.0825 31.9333 178.4732 100 A 4.3886 7.7394 118.8858 52.2319 18.4893 177.1199 101 R 4.4230 7.5188 117.8155 53.8818 31.4065 175.8031 102 S 4.1995 8.4831 120.3973 59.0140 63.3010 173.9973 103 G 3.8853 8.9657 113.7807 45.9028 0.0000 173.9566 104 V 3.8621 7.4649 120.0558 62.7486 30.9990 175.1476 105 T 4.7322 8.2222 117.6161 59.4832 71.4017 175.4554 106 K 4.0323 8.8723 123.6566 59.8763 32.0315 179.2414 107 G 3.9149 8.6161 105.9037 47.0323 0.0000 176.0278 108 G 3.7560 8.5194 108.9126 47.7983 0.0000 175.9029 109 F 4.0001 8.6272 119.9159 60.5406 38.8869 177.2787 110 S 4.2309 8.0574 110.8293 61.6881 62.2426 176.1411 111 A 4.1965 7.8664 123.2817 55.1567 18.4391 179.2169 112 I 3.5974 8.1206 116.8067 64.2612 37.8683 177.8869 113 A 3.7370 8.6195 122.0080 55.1685 18.0372 179.5140 114 Q 3.9690 7.9561 115.2650 59.2727 29.1103 178.8367 115 S 4.3358 8.0327 116.7982 61.0527 62.8094 176.3681 116 F 3.7004 8.2464 120.0645 60.9469 38.5529 177.9865 117 L 3.9081 7.7443 116.6185 57.7849 41.4055 179.4328 118 R 4.0693 8.0829 117.5422 58.3700 30.4273 178.7646 119 V 3.5893 7.3129 117.6248 65.8985 31.7261 177.5591 120 M 3.4307 7.6919 119.0191 57.8968 31.4812 177.1445 121 P 3.4371 0.0000 0.0000 65.9660 31.0640 177.8567 122 Q 4.0543 8.1304 117.7265 57.8523 28.7226 177.1321 123 V 3.9478 7.3044 117.2274 62.8450 32.9053 176.5307 124 A 4.3176 8.1659 122.9107 51.6840 20.0322 179.0509 125 S 4.8386 8.1149 121.9421 58.4371 61.6289 178.8618 126 C 4.4856 8.8304 126.5658 60.3563 25.5857 171.8955 127 F 4.4985 8.3325 125.4093 57.7146 40.1143 175.4597 128 N 4.5847 7.4741 125.2732 50.0826 39.2048 172.8845 129 P 3.9246 0.0000 0.0000 65.8599 31.2404 177.5714 130 D 4.3464 8.1363 118.2972 56.8054 40.7711 178.4765 131 A 3.9521 8.2409 120.6943 55.0362 18.4306 179.0844 132 W 4.1157 8.0428 126.6812 60.8968 30.6584 177.6583 133 S 4.2554 8.9635 112.9531 61.7433 61.6805 176.0117 134 R 3.9103 8.1372 120.5538 60.0317 29.9323 178.4198 135 C 4.1911 8.0998 115.6723 59.4577 39.0291 175.9584 136 F 3.3261 8.3198 122.7632 61.2589 38.9777 177.0254 137 N 4.3972 8.6399 116.3551 56.0957 37.6977 177.4458 138 R 3.7950 7.4801 120.5219 59.4128 30.1538 178.6821 139 I 3.5267 7.3638 119.5943 64.4702 36.8933 178.2705 140 T 3.6128 7.8411 116.8846 67.0048 68.0985 176.5139 141 T 3.8619 8.1198 117.1181 66.7798 68.6164 176.3221 142 G 3.5889 7.2961 104.8047 48.1585 0.0000 175.4302 143 M 4.2253 7.8334 121.6011 56.7175 32.9443 176.2647 144 T 4.5577 7.2663 113.8196 60.5843 64.7668 173.3969 145 E 4.0739 7.8119 124.5355 57.7936 30.5725 176.4680 146 P 4.5916 0.0000 0.0000 62.6715 32.4861 175.8379 147 L 4.1045 7.8250 118.8119 54.5181 43.6855 174.2498 148 P 4.2275 0.0000 0.0000 64.1134 30.3921 176.3184 149 A 4.1394 9.1505 133.0989 53.8053 19.0005 177.4693 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 8.26 4.39 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 9.33 4.20 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.99 4.69 0.00 3.91 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 4 C 8.48 4.35 0.00 2.96 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 5 T 8.58 4.31 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 1.30 0.00 0.00 6 T 8.36 3.80 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 1.19 0.00 0.00 7 E 8.24 3.95 0.00 2.04 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 2.40 2.48 0.00 8 D 8.10 4.35 0.00 2.93 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 9 R 8.28 3.75 0.00 1.99 1.94 0.00 3.28 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 10 R 8.02 3.86 0.00 1.93 2.15 0.00 3.16 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 1.64 1.74 0.00 11 E 8.17 3.94 0.00 2.26 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 2.35 2.47 0.00 12 M 8.77 4.11 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 13 Q 8.69 4.12 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 14 L 7.96 4.06 0.00 1.97 1.80 1.01 0.92 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 15 M 8.40 4.14 0.00 2.51 2.72 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.80 0.00 16 W 8.69 4.48 0.00 3.69 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 17 G 8.45 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.38 4.59 0.00 2.78 2.93 0.00 0.00 7.01 7.50 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 19 V 7.08 3.91 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 0.72 0.00 0.00 0.81 0.00 0.00 20 W 7.31 3.83 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.12 4.37 0.00 3.61 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 22 A 8.58 4.34 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.94 4.27 0.00 2.14 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 24 F 7.39 4.80 0.00 2.98 2.84 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 0.00 0.00 0.00 0.00 25 T 8.52 4.22 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 1.18 0.00 0.00 26 G 8.40 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 27 R 7.87 3.85 0.00 1.69 1.85 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 28 R 7.82 3.76 0.00 1.88 1.91 0.00 2.91 0.00 0.00 2.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.36 0.00 29 I 7.97 3.68 1.98 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 0.81 0.92 0.00 0.00 30 A 8.05 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 31 I 8.21 3.52 1.99 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 1.37 0.65 0.93 0.00 0.00 32 A 8.40 3.84 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 33 Q 8.42 4.05 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 34 A 7.81 3.82 1.26 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 0.00 0.00 0.00 35 V 7.47 3.10 1.53 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 0.13 0.00 0.00 -0.06 0.00 0.00 36 F 7.79 3.75 0.00 2.97 2.31 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 37 K 8.67 3.87 0.00 1.90 1.92 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 38 D 7.80 4.27 0.00 2.69 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 39 L 7.98 3.94 0.00 1.65 1.59 1.04 1.06 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 40 F 8.30 4.65 0.00 2.98 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 41 A 7.60 4.24 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 42 N 7.94 4.87 0.00 2.75 2.91 0.00 0.00 6.74 7.67 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 43 V 7.84 4.33 2.33 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 1.12 0.00 0.00 1.02 0.00 0.00 44 P 0.00 4.10 0.00 2.26 2.28 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 45 D 8.03 4.47 0.00 2.94 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 46 A 8.30 4.14 1.70 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 47 V 7.23 2.98 1.76 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 0.34 0.00 0.00 0.42 0.00 0.00 48 G 7.46 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 49 L 8.18 4.09 0.00 1.11 1.21 0.93 0.71 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 50 F 7.95 4.84 0.00 3.04 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.05 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.08 4.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.45 4.38 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 0.87 0.00 0.00 1.21 0.00 0.00 54 K 8.16 3.73 0.00 1.97 1.76 0.00 1.83 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.39 7.81 55 G 8.18 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 0.00 0.00 0.00 56 D 7.53 4.26 0.00 2.56 2.61 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 57 E 7.52 4.35 0.00 2.00 1.88 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 2.32 2.27 0.00 58 V 7.83 3.57 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 0.60 0.00 0.00 0.97 0.00 0.00 59 N 8.02 4.84 0.00 2.68 2.83 0.00 0.00 7.03 7.63 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 60 S 8.56 4.45 0.00 4.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.75 4.33 0.00 2.82 2.95 0.00 0.00 6.96 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 62 E 8.36 4.01 0.00 2.13 2.12 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 2.45 2.50 0.00 63 F 8.26 4.38 0.00 3.38 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.56 3.83 0.00 2.02 1.87 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.69 7.81 65 A 8.32 4.03 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 0.00 0.00 66 H 7.92 4.06 0.00 3.32 3.14 0.00 5.81 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 67 C 8.20 3.91 0.00 3.06 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 68 I 8.03 3.71 2.12 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 1.73 0.87 0.95 0.00 0.00 69 R 8.12 3.98 0.00 2.06 2.04 0.00 3.19 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 70 V 8.21 3.64 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 1.24 0.00 0.00 1.02 0.00 0.00 71 V 8.47 3.96 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 1.56 0.00 0.00 1.25 0.00 0.00 72 N 8.79 4.71 0.00 3.15 3.17 0.00 0.00 7.10 7.92 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 73 G 8.29 3.75 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 0.00 0.00 0.00 74 L 8.19 3.72 0.00 1.64 1.74 0.28 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.16 4.04 0.00 3.05 2.83 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 76 S 8.22 4.06 0.00 4.08 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.50 3.90 0.00 3.80 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 78 I 7.58 3.63 1.54 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.64 0.73 0.00 0.00 79 G 8.11 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 80 L 7.74 4.19 0.00 1.99 1.56 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.35 3.97 0.00 1.71 1.63 0.73 0.53 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 82 S 7.45 4.42 0.00 3.85 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 83 D 8.13 4.73 0.00 2.57 2.43 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 84 P 0.00 4.12 0.00 2.15 2.07 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 85 A 8.05 3.94 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 86 T 7.75 3.69 4.30 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 1.17 0.00 0.00 87 L 7.95 3.85 0.00 1.89 1.69 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.51 4.21 0.00 2.92 2.83 0.00 0.00 7.08 7.70 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 89 E 7.63 3.92 0.00 2.04 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 2.30 2.44 0.00 90 Q 8.13 3.93 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 91 L 8.57 3.96 0.00 1.61 1.59 0.78 0.91 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 92 S 8.14 4.10 0.00 3.95 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 93 H 8.28 4.09 0.00 3.29 3.46 0.00 5.85 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 94 L 8.02 4.01 0.00 1.91 1.72 0.88 0.87 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 95 A 8.24 4.70 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 96 T 7.95 3.79 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 1.18 0.00 0.00 97 Q 8.13 4.06 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 98 H 8.03 4.65 0.00 3.41 3.51 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.17 4.07 0.00 1.72 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.70 7.81 100 A 7.74 4.39 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 0.00 101 R 7.52 4.42 0.00 1.82 1.79 0.00 3.23 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 102 S 8.48 4.20 0.00 3.84 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 0.00 103 G 8.97 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 0.00 104 V 7.46 3.86 2.28 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 1.17 0.00 0.00 1.00 0.00 0.00 105 T 8.22 4.73 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 1.33 0.00 0.00 106 K 8.87 4.03 0.00 1.85 1.90 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.50 7.81 107 G 8.62 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 0.00 0.00 0.00 108 G 8.52 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 0.00 109 F 8.63 4.00 0.00 3.41 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.06 4.23 0.00 4.01 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 0.00 111 A 7.87 4.20 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 0.00 112 I 8.12 3.60 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 1.12 0.00 0.00 113 A 8.62 3.74 1.52 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 0.00 114 Q 7.96 3.97 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 115 S 8.03 4.34 0.00 3.97 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 0.00 116 F 8.25 3.70 0.00 3.05 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 0.00 117 L 7.74 3.91 0.00 1.93 1.78 1.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.08 4.07 0.00 1.83 1.89 0.00 3.11 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 119 V 7.31 3.59 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.70 0.00 0.00 120 M 7.69 3.43 0.00 0.63 0.65 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 2.45 0.00 121 P 0.00 3.44 0.00 2.13 2.17 0.00 3.17 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 122 Q 8.13 4.05 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 123 V 7.30 3.95 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 0.65 0.00 0.00 0.84 0.00 0.00 124 A 8.17 4.32 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 0.00 125 S 8.11 4.84 0.00 3.92 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 0.00 126 C 8.83 4.49 0.00 3.01 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 0.00 127 F 8.33 4.50 0.00 2.86 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 0.00 128 N 7.47 4.58 0.00 2.65 2.49 0.00 0.00 6.87 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 0.00 129 P 0.00 3.92 0.00 2.33 2.42 0.00 3.59 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 2.09 0.00 130 D 8.14 4.35 0.00 2.86 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 0.00 131 A 8.24 3.95 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 0.00 132 W 8.04 4.12 0.00 3.48 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 0.00 133 S 8.96 4.26 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 0.00 134 R 8.14 3.91 0.00 2.06 1.97 0.00 3.28 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 135 C 8.10 4.19 0.00 2.78 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 0.00 136 F 8.32 3.33 0.00 2.36 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 0.00 137 N 8.64 4.40 0.00 2.90 2.88 0.00 0.00 6.73 7.26 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 0.00 138 R 7.48 3.80 0.00 1.77 1.99 0.00 3.03 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 139 I 7.36 3.53 1.40 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 1.22 0.22 0.55 0.00 0.00 140 T 7.84 3.61 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 1.21 0.00 0.00 141 T 8.12 3.86 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 1.14 0.00 0.00 142 G 7.30 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 0.00 143 M 7.83 4.23 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 144 T 7.27 4.56 3.36 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 1.02 0.00 0.00 145 E 7.81 4.07 0.00 1.93 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 2.34 2.17 0.00 146 P 0.00 4.59 0.00 2.15 2.14 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 147 L 7.82 4.10 0.00 1.62 1.71 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.23 0.00 2.07 1.68 0.00 3.93 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 149 A 9.15 4.14 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 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