NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3714 8.2893 120.3493 55.4957 32.0896 173.9519 2 N 4.4684 8.0611 121.1243 50.4747 37.9845 171.5147 3 E 3.9729 9.3668 125.3696 56.8279 29.3233 178.4330 4 L 4.4250 8.1587 124.7714 53.3539 40.6965 175.9916 5 E 4.5276 8.0278 123.3412 53.5574 32.1032 175.8090 6 G 3.7778 8.1457 112.5415 45.2419 0.0000 172.2143 7 Y 4.7456 8.9949 117.5409 56.0931 40.0702 176.8610 8 V 4.0872 8.5604 123.6499 63.3440 32.5599 177.5302 9 T 4.2176 8.1584 117.3401 66.1262 68.8411 175.0093 10 K 4.3988 7.9539 120.0529 56.6192 32.5096 177.2442 11 A 4.3156 8.1715 123.7548 53.5737 19.1415 182.0950 12 Q 3.4660 7.7237 111.6823 58.0027 31.5423 180.1775 13 S 4.0963 8.0078 110.9080 60.0129 63.1574 174.3256 14 F 4.2513 8.6001 119.8116 56.5023 39.8399 174.4979 15 R 4.5706 8.3751 121.5972 54.7193 32.1554 174.2793 16 F 5.6392 8.7309 123.0364 55.7681 43.8989 173.5321 17 A 4.7318 8.5545 120.4048 50.5045 22.4718 175.1876 18 I 4.8193 8.9286 122.8156 59.4489 40.3647 174.9690 19 V 4.6343 8.6644 125.7323 61.1718 34.3086 174.6098 20 V 5.2661 8.7728 120.5843 58.3265 35.3419 174.6374 21 A 5.6695 8.4493 125.5851 50.6199 19.5984 177.8557 22 R 4.2645 8.9773 121.7009 58.8202 30.7210 176.6519 23 F 4.1273 8.2714 119.9708 59.7462 39.8489 174.1788 24 N 4.3315 8.4453 123.2968 54.4111 36.2808 176.0737 25 E 4.5176 8.0646 121.5867 59.3431 29.4042 177.6330 26 F 3.9995 8.3572 118.6745 61.0036 39.4494 176.4519 27 V 4.1231 8.4174 117.2638 65.0891 32.0184 177.5898 28 T 3.8548 8.0090 109.0738 65.1064 68.3043 175.3477 29 R 4.0549 8.5385 122.0988 59.3612 29.9370 178.1347 30 R 3.8168 7.9772 116.7506 59.3158 30.1489 178.1858 31 L 3.8542 8.2396 120.1525 58.6283 41.9715 178.7157 32 M 3.8710 8.6233 117.8600 58.8528 32.1879 177.6624 33 E 4.0989 8.7289 119.1249 59.6262 29.5415 179.9126 34 G 3.4782 8.3727 105.4696 47.6936 0.0000 175.3358 35 A 3.6675 7.8319 124.0581 54.8164 18.3870 178.8600 36 L 4.0828 8.3167 118.7505 58.6218 42.0096 178.2947 37 D 4.3944 8.5979 117.7269 58.1335 41.1183 178.7973 38 T 3.8884 8.0307 115.9812 66.9527 68.2089 176.0393 39 F 4.3193 7.5743 117.9931 60.7840 39.2488 177.4581 40 K 4.1827 8.1561 117.1530 59.6852 31.7672 179.0992 41 K 3.8268 8.5349 118.5809 59.2446 32.5721 176.8356 42 Y 4.3015 8.6908 117.5785 58.4475 38.6392 176.0940 43 S 3.7464 8.2209 111.3364 58.8354 63.4734 172.8257 44 V 3.9843 7.7764 120.1628 62.1190 31.7366 175.7970 45 N 4.7018 8.2831 120.3523 53.7637 40.6160 174.1169 46 E 4.5098 9.0460 126.1775 56.4315 30.7504 174.5674 47 D 4.2891 8.8708 114.0563 59.6996 40.1366 173.9480 48 I 3.5669 6.5142 109.1616 58.5153 39.3268 174.5203 49 D 4.6397 8.7589 124.6089 54.0495 42.2207 175.4200 50 V 4.5932 8.3568 116.3212 59.5601 34.0059 175.0374 51 V 4.2773 8.9057 127.2178 60.9550 33.3141 174.4172 52 W 5.1955 8.8534 128.1369 55.9364 30.2731 176.1921 53 V 4.7158 9.0939 117.9554 58.8678 34.8994 174.8609 54 P 4.3663 0.0000 0.0000 65.5012 32.0730 176.4002 55 G 4.5417 8.1814 108.1808 42.4348 0.0000 173.1100 56 A 3.9531 8.6510 122.7848 55.3619 18.4401 179.4127 57 Y 3.9172 8.3543 116.0604 61.2104 38.6280 178.1591 58 E 4.1348 8.6637 119.1899 59.5173 29.5345 179.4134 59 L 3.9632 7.8338 119.2883 58.6675 41.7289 179.0310 60 G 3.6616 7.8616 100.9593 49.3592 0.0000 175.5775 61 V 3.6645 7.7585 111.9291 63.9233 32.1681 178.5376 62 T 3.8363 7.7480 114.7162 66.6859 68.2751 176.2758 63 A 3.8891 8.6013 122.5770 55.6259 18.3905 179.3663 64 Q 3.8498 8.4365 118.1869 60.0604 29.2208 178.7367 65 A 4.0159 8.8490 122.0860 54.6206 18.0604 179.1057 66 L 4.1440 8.2418 118.0428 57.8032 42.3552 180.2549 67 G 3.8084 8.9244 105.7178 47.9771 0.0000 176.0686 68 K 4.1616 8.1705 120.3685 58.2364 32.3328 178.9734 69 S 4.3501 8.3799 114.2370 58.6840 62.6690 175.1317 70 G 3.9254 7.9859 109.5042 46.3035 0.0000 174.7431 71 K 3.7958 7.8361 119.4512 58.1478 32.1955 176.8987 72 Y 4.7857 7.3861 114.1654 56.5743 40.4009 174.9064 73 H 4.8273 9.1538 118.3931 57.5058 30.0521 175.7845 74 A 4.9588 7.8601 118.1357 50.7062 22.7019 175.0954 75 I 4.9353 8.8647 115.6098 58.9306 40.7166 174.6494 76 V 4.6304 8.8441 125.8377 60.0953 33.8539 174.1370 77 C 5.1171 9.0688 122.8939 57.8848 30.7119 172.8252 78 L 5.4999 8.0459 123.3680 52.1195 44.9667 175.7691 79 G 4.3448 8.0591 107.2002 46.3296 0.0000 171.9593 80 A 5.1953 8.5531 121.4883 50.5246 22.1423 176.2391 81 V 4.2772 9.1819 123.1599 59.9303 33.6758 175.2091 82 V 4.3261 8.4691 119.4660 60.5367 32.6064 177.7493 83 K 3.6090 8.5081 127.3808 56.6940 29.0556 176.9690 84 G 3.7903 8.5453 113.1633 47.3170 0.0000 171.5464 85 D 4.6275 7.8743 116.8226 54.5997 43.2040 177.7400 86 T 4.2735 8.5254 115.5907 61.3380 70.7898 176.0476 87 S 4.9975 8.5352 116.8584 60.0920 62.6447 175.2121 88 H 3.8893 7.9462 122.7576 60.2007 29.4482 175.2842 89 Y 4.1502 8.1994 120.2819 61.4458 38.4721 177.7102 90 D 4.1906 8.4848 118.1081 57.9992 41.0842 178.7130 91 A 3.8533 8.3216 120.2449 55.8904 18.2985 179.4806 92 V 3.6102 8.4005 115.7609 66.0590 31.6075 178.2954 93 V 3.4836 8.0552 117.9658 66.3734 31.1738 177.8426 94 N 4.2370 8.7859 116.1813 56.3876 38.3711 177.2672 95 S 3.9514 8.1263 116.1613 62.0928 62.9740 176.3128 96 A 3.9425 8.6700 123.8913 55.3997 17.9708 179.1283 97 S 4.2529 8.7118 110.2795 61.7730 62.5279 176.5638 98 S 4.1101 8.9043 116.2188 61.6442 62.0761 176.1579 99 G 3.6376 8.5677 108.5435 48.2104 0.0000 175.3824 100 V 3.6621 8.0009 121.0576 65.8060 31.4611 177.4257 101 L 3.9430 8.2007 120.0486 57.6111 41.8145 178.7352 102 S 4.0808 8.8033 114.8201 62.0371 63.0277 176.5245 103 A 4.1076 8.6542 123.2420 55.3812 17.9621 179.5066 104 G 4.3106 8.2675 103.0107 47.8285 0.0000 175.4611 105 L 4.0281 7.8129 120.1372 57.5942 41.8045 179.0845 106 N 4.5071 8.6339 115.5967 56.3950 38.6211 177.3618 107 S 4.3970 8.7753 114.5362 58.9081 63.3889 175.3566 108 G 3.9789 8.1143 109.5588 45.7132 0.0000 172.8573 109 V 4.5564 7.7816 119.9947 59.8386 34.3510 173.1981 110 P 4.5305 0.0000 0.0000 63.2450 32.3087 174.7817 111 C 5.2048 8.5901 122.3752 57.8081 30.6153 173.8078 112 V 3.7463 8.8318 125.9167 62.5009 32.3112 175.4209 113 F 4.1108 8.9857 131.6212 56.4778 37.8288 175.5191 114 G 4.1795 8.6918 118.5788 44.1684 0.0000 170.7530 115 V 4.8019 6.4036 116.9881 59.5693 34.4205 177.2579 116 L 4.4192 8.8911 125.7005 54.1875 42.9066 177.1837 117 T 5.4073 7.9323 112.3461 60.3642 68.2092 173.1326 118 C 4.2742 8.1682 119.2849 60.4473 30.2080 174.5079 119 D 4.5281 9.0000 120.1805 55.9432 39.5796 176.7215 120 N 4.7227 9.4846 116.2963 51.9249 39.4729 175.8369 121 M 3.9834 8.8360 119.7133 59.2140 32.1526 177.8240 122 D 4.3595 8.2192 117.2539 57.7569 41.0250 178.0924 123 Q 3.9880 8.7910 116.8260 59.0405 29.0419 178.6767 124 A 4.1622 7.6946 120.2354 55.5430 18.4077 179.4412 125 I 3.7470 8.0367 118.1739 65.1734 37.2450 178.2918 126 N 4.4411 8.1592 116.7868 56.1690 38.3766 177.4825 127 R 4.0823 8.7343 119.0831 57.4936 30.9138 176.7937 128 A 4.4563 7.5928 123.4532 51.4566 18.2512 177.5273 129 G 3.9238 9.0572 106.1494 45.8005 0.0000 173.9738 130 G 4.2197 7.7671 111.0261 44.1370 0.0000 175.4811 131 K 4.1768 8.2808 120.5345 58.1487 32.6075 177.2805 132 A 4.4760 7.9896 121.5193 51.7917 20.0122 178.5171 133 G 3.7263 8.7317 105.2409 45.3704 0.0000 172.9215 134 N 5.7459 8.0521 119.1375 50.0889 41.4022 175.5398 135 K 4.1496 8.1878 131.2987 58.9928 32.2975 177.9242 136 G 3.7671 8.2454 104.8493 48.1256 0.0000 174.8066 137 A 3.7790 8.3776 123.2066 54.5989 17.9728 179.2835 138 E 3.7334 7.9958 116.7105 59.8346 29.1301 179.8738 139 S 3.9917 8.5903 115.0011 61.5142 62.8393 176.4257 140 A 3.3984 7.5266 123.1372 54.9106 17.9362 179.0380 141 L 3.3440 7.4801 118.4412 58.6686 41.9999 179.4820 142 T 3.6776 7.9298 115.3325 66.4172 68.2937 176.0799 143 A 3.9022 8.0407 123.0193 55.8334 18.2369 179.1462 144 I 3.6274 7.5341 117.6798 64.7276 37.1653 177.7650 145 E 3.8346 8.3590 119.3821 59.9253 29.4140 179.3691 146 M 3.8274 8.5123 118.2612 58.4153 31.7916 178.1093 147 A 3.8468 7.8900 119.6673 55.3317 18.7797 178.9082 148 S 4.2049 8.0098 110.8794 61.6059 62.3781 176.2513 149 L 4.0105 8.3904 122.9477 58.6624 41.7692 179.0289 150 F 4.4459 8.8372 117.5020 59.2230 39.8475 174.7266 151 E 5.1645 7.9367 118.2325 52.8229 28.7213 173.7861 152 H 4.8523 7.8592 129.2267 56.8380 32.3798 174.6750 153 H 4.4683 8.9970 113.7416 57.2694 29.0552 175.1295 154 L 3.9872 7.3599 120.8836 53.2406 41.9571 173.9737 155 K 4.1237 7.5254 120.6667 56.8033 32.7067 175.9201 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 4.37 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 N 8.06 4.47 0.00 2.91 2.79 0.00 0.00 6.34 6.77 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 3 E 9.37 3.97 0.00 1.97 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 2.31 2.33 0.00 4 L 8.16 4.43 0.00 1.69 1.84 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.03 4.53 0.00 1.79 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 6 G 8.15 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 Y 8.99 4.75 0.00 3.00 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 8 V 8.56 4.09 2.13 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 0.96 0.00 0.00 0.86 0.00 0.00 9 T 8.16 4.22 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 1.25 0.00 0.00 10 K 7.95 4.40 0.00 1.96 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.61 1.84 7.81 11 A 8.17 4.32 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 12 Q 7.72 3.47 0.00 2.32 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.01 4.10 0.00 3.62 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 14 F 8.60 4.25 0.00 2.68 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 0.00 0.00 0.00 0.00 15 R 8.38 4.57 0.00 1.83 1.63 0.00 3.11 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 16 F 8.73 5.64 0.00 2.49 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 17 A 8.55 4.73 0.14 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 0.00 0.00 18 I 8.93 4.82 1.74 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 1.18 0.97 0.74 0.00 0.00 19 V 8.66 4.63 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 0.98 0.00 0.00 0.87 0.00 0.00 20 V 8.77 5.27 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 -0.57 0.00 0.00 21 A 8.45 5.67 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 22 R 8.98 4.26 0.00 1.99 2.14 0.00 3.13 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.38 0.00 23 F 8.27 4.13 0.00 3.31 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 24 N 8.45 4.33 0.00 3.26 3.07 0.00 0.00 6.72 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 25 E 8.06 4.52 0.00 2.33 2.04 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 2.36 2.28 0.00 26 F 8.36 4.00 0.00 3.11 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 27 V 8.42 4.12 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 0.96 0.00 0.00 1.15 0.00 0.00 28 T 8.01 3.85 4.35 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 1.36 0.00 0.00 29 R 8.54 4.05 0.00 2.17 1.99 0.00 3.36 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 30 R 7.98 3.82 0.00 2.08 1.93 0.00 3.26 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 31 L 8.24 3.85 0.00 1.88 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.62 3.87 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.60 0.00 33 E 8.73 4.10 0.00 2.15 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 2.36 2.60 0.00 34 G 8.37 3.48 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 35 A 7.83 3.67 1.24 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 0.00 0.00 0.00 36 L 8.32 4.08 0.00 1.99 1.71 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.60 4.39 0.00 2.79 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 38 T 8.03 3.89 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 0.83 0.00 0.00 39 F 7.57 4.32 0.00 3.36 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.16 4.18 0.00 1.98 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.67 7.81 41 K 8.53 3.83 0.00 2.06 2.30 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 42 Y 8.69 4.30 0.00 3.32 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.22 3.75 0.00 4.13 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 44 V 7.78 3.98 2.41 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 0.90 0.00 0.00 1.34 0.00 0.00 45 N 8.28 4.70 0.00 2.76 2.75 0.00 0.00 6.93 7.53 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 46 E 9.05 4.51 0.00 1.93 1.84 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 2.13 2.24 0.00 47 D 8.87 4.29 0.00 2.77 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 48 I 6.51 3.57 1.71 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 1.46 0.53 0.00 0.00 49 D 8.76 4.64 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.36 4.59 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.91 0.00 0.00 51 V 8.91 4.28 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 1.06 0.00 0.00 0.86 0.00 0.00 52 W 8.85 5.20 0.00 3.25 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 53 V 9.09 4.72 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 0.83 0.00 0.00 1.11 0.00 0.00 54 P 0.00 4.37 0.00 2.21 2.38 0.00 3.72 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 2.32 2.05 0.00 55 G 8.18 4.54 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 56 A 8.65 3.95 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 57 Y 8.35 3.92 0.00 3.00 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 58 E 8.66 4.13 0.00 2.41 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 0.00 2.42 2.50 0.00 59 L 7.83 3.96 0.00 1.75 1.68 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.86 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.76 3.66 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 0.83 0.00 0.00 1.03 0.00 0.00 62 T 7.75 3.84 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 1.21 0.00 0.00 63 A 8.60 3.89 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 64 Q 8.44 3.85 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.85 4.02 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 66 L 8.24 4.14 0.00 1.73 1.71 0.71 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.17 4.16 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.38 4.35 0.00 4.07 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 70 G 7.99 3.93 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 0.00 71 K 7.84 3.80 0.00 0.79 1.19 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.37 7.81 72 Y 7.39 4.79 0.00 2.93 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 73 H 9.15 4.83 0.00 2.84 3.45 0.00 5.89 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 74 A 7.86 4.96 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 75 I 8.86 4.94 1.78 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.77 0.00 0.00 76 V 8.84 4.63 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 0.93 0.00 0.00 0.83 0.00 0.00 77 C 9.07 5.12 0.00 2.69 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 78 L 8.05 5.50 0.00 1.39 1.40 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.06 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 0.00 0.00 0.00 0.00 80 A 8.55 5.20 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 81 V 9.18 4.28 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 0.82 0.00 0.00 0.88 0.00 0.00 82 V 8.47 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.51 3.61 0.00 0.79 1.34 0.00 0.87 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.09 0.67 7.81 84 G 8.55 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.87 4.63 0.00 2.63 2.40 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 86 T 8.53 4.27 4.29 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 1.24 0.00 0.00 87 S 8.54 5.00 0.00 4.28 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 0.00 88 H 7.95 3.89 0.00 3.27 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.20 4.15 0.00 3.14 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 90 D 8.48 4.19 0.00 2.91 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 91 A 8.32 3.85 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 92 V 8.40 3.61 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 0.94 0.00 0.00 1.01 0.00 0.00 93 V 8.06 3.48 1.89 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 0.92 0.00 0.00 0.06 0.00 0.00 94 N 8.79 4.24 0.00 2.84 2.79 0.00 0.00 7.06 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 95 S 8.13 3.95 0.00 3.71 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 96 A 8.67 3.94 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 97 S 8.71 4.25 0.00 3.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.90 4.11 0.00 3.81 3.97 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 99 G 8.57 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 0.00 100 V 8.00 3.66 2.45 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 1.10 0.00 0.00 1.02 0.00 0.00 101 L 8.20 3.94 0.00 1.84 1.71 0.89 0.75 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 0.00 102 S 8.80 4.08 0.00 3.98 3.93 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 0.00 103 A 8.65 4.11 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 0.00 104 G 8.27 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 0.00 0.00 0.00 0.00 105 L 7.81 4.03 0.00 1.81 1.76 0.95 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 0.00 106 N 8.63 4.51 0.00 2.70 2.90 0.00 0.00 7.19 8.23 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 0.00 107 S 8.78 4.40 0.00 4.03 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 0.00 108 G 8.11 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.78 4.56 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.11 0.00 0.00 110 P 0.00 4.53 0.00 1.95 1.73 0.00 3.71 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 1.30 1.34 0.00 111 C 8.59 5.20 0.00 2.95 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 0.00 112 V 8.83 3.75 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 0.85 0.00 0.00 0.88 0.00 0.00 113 F 8.99 4.11 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.69 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 0.00 115 V 6.40 4.80 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 -0.76 0.00 0.00 0.71 0.00 0.00 116 L 8.89 4.42 0.00 1.63 1.66 0.95 0.30 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 0.00 117 T 7.93 5.41 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 1.28 0.00 0.00 118 C 8.17 4.27 0.00 2.97 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 0.00 119 D 9.00 4.53 0.00 2.67 2.52 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 0.00 120 N 9.48 4.72 0.00 2.88 2.91 0.00 0.00 6.77 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 0.00 121 M 8.84 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 122 D 8.22 4.36 0.00 2.74 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 0.00 123 Q 8.79 3.99 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 124 A 7.69 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.04 3.75 2.04 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 1.63 1.02 0.00 0.00 126 N 8.16 4.44 0.00 3.01 2.88 0.00 0.00 7.04 7.65 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 0.00 127 R 8.73 4.08 0.00 1.90 1.98 0.00 3.28 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.59 4.46 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 0.00 129 G 9.06 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 0.00 130 G 7.77 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 0.00 0.00 0.00 0.00 131 K 8.28 4.18 0.00 1.83 1.95 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 7.99 4.48 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 0.00 133 G 8.73 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 0.00 134 N 8.05 5.75 0.00 2.75 2.60 0.00 0.00 6.78 6.36 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 0.00 135 K 8.19 4.15 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.25 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.38 3.78 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 0.00 138 E 8.00 3.73 0.00 2.12 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 0.00 2.26 2.43 0.00 139 S 8.59 3.99 0.00 3.84 3.79 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 0.00 0.00 0.00 0.00 140 A 7.53 3.40 0.35 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 0.00 141 L 7.48 3.34 0.00 1.42 1.64 0.70 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.93 3.68 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 1.12 0.00 0.00 143 A 8.04 3.90 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 0.00 144 I 7.53 3.63 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.92 0.00 0.00 145 E 8.36 3.83 0.00 1.93 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 2.24 2.30 0.00 146 M 8.51 3.83 0.00 1.64 2.06 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 147 A 7.89 3.85 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 0.00 0.00 0.00 0.00 0.00 148 S 8.01 4.20 0.00 3.81 4.10 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 0.00 149 L 8.39 4.01 0.00 1.85 2.03 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.84 4.45 0.00 3.42 3.13 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 0.00 151 E 7.94 5.16 0.00 2.25 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 2.41 2.37 0.00 152 H 7.86 4.85 0.00 3.37 3.68 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 9.00 4.47 0.00 3.33 3.73 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.36 3.99 0.00 1.75 1.62 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.53 4.12 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.51 7.81