NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3453 8.3344 116.7661 58.2612 64.3344 172.1934 5 V 3.8263 8.0377 121.0621 61.2491 32.1709 169.6270 6 V 4.4012 8.9918 127.2895 60.9861 34.3766 174.4017 7 K 4.7426 8.2791 125.2926 54.3074 35.2120 177.3700 8 S 4.1867 8.8213 118.0279 62.0760 62.8522 176.6347 9 E 4.1794 8.1051 117.2082 58.5167 29.4899 176.9370 10 D 4.6839 8.2213 119.5142 54.3580 40.7206 177.7366 11 Y 4.1398 7.5442 119.9733 59.8123 37.7198 177.2377 12 A 4.4199 7.2432 120.2801 52.2916 19.4055 176.6706 13 L 4.6412 7.3900 115.8321 51.9743 43.5648 174.8947 14 P 4.4497 0.0000 0.0000 63.0216 31.7912 175.8203 15 S 4.8145 8.1933 114.1259 56.7398 66.3217 172.4982 16 Y 4.6240 8.3665 121.5537 56.6038 39.8220 175.0840 17 V 4.0452 6.7386 122.6540 60.7301 33.9910 172.8746 18 D 4.4731 8.3958 124.6818 52.9770 40.8127 176.2943 19 R 4.4104 8.1649 120.6593 55.0996 32.1897 176.2935 20 R 3.6643 8.4681 122.8058 59.2869 30.2332 176.7270 21 D 4.8209 7.9885 114.0674 53.4781 40.1083 176.5312 22 Y 4.9109 8.4408 120.0881 55.7363 39.1762 172.5306 23 P 4.3931 0.0000 0.0000 65.1627 31.7633 176.9418 24 L 4.6371 7.1852 119.1069 51.3093 41.7712 174.1106 25 P 4.4509 0.0000 0.0000 62.6346 31.7078 177.6247 26 D 4.7231 8.7699 118.5594 56.0725 41.0133 176.5867 27 V 4.4992 7.3322 116.3932 60.8389 34.8422 174.1236 28 A 4.1688 8.3628 127.9045 51.8133 19.1622 177.1794 29 H 3.6463 8.7199 122.8536 58.2535 29.9516 175.8238 30 V 4.1788 7.3460 118.1462 60.9311 33.0282 174.9430 31 K 4.1449 8.0986 126.4520 57.9778 32.8104 176.8466 32 N 4.6845 7.9034 116.2502 51.9262 39.1320 174.2370 33 L 4.8396 8.2274 123.5593 53.0513 44.0321 177.3196 34 S 4.5339 8.9358 118.1259 56.9648 66.0532 174.8585 35 A 3.9489 8.5087 122.5924 55.8657 17.9229 179.9603 36 S 4.1120 8.0209 111.5320 61.4035 63.0369 176.5738 37 Q 3.9681 7.7491 122.0178 58.7403 28.3611 178.2773 38 K 3.9390 8.3052 118.4777 59.5558 32.4808 178.8818 39 A 4.1309 8.1770 120.9412 54.9376 18.2916 179.4587 40 L 3.9169 7.9635 118.8827 58.3204 42.0228 179.3782 41 K 4.0590 8.3626 117.2763 59.1014 32.2764 178.8735 42 E 4.1741 7.9550 118.9031 59.2658 29.5040 179.2127 43 K 4.0659 7.9765 118.0002 59.3431 31.8881 178.7552 44 E 4.1987 8.1383 119.0321 59.2313 29.5852 178.7364 45 K 4.2096 7.8805 116.8149 60.2437 32.5739 177.4773 46 A 4.3774 7.9939 123.7902 51.5291 20.3122 175.8083 47 S 4.2210 8.4619 109.3071 57.5480 63.3107 176.4083 48 W 4.6743 8.3791 127.4619 59.3555 29.1704 178.3904 49 S 4.2307 7.7398 113.9317 61.3397 62.2536 175.3703 50 S 4.4700 7.9730 112.4408 58.6572 63.3382 174.1636 51 L 4.5272 7.7450 122.6884 54.3867 42.3322 177.5495 52 S 4.5307 9.4213 118.7537 57.6110 65.4300 175.4947 53 I 3.6823 8.2563 123.0563 64.9560 36.8377 178.4353 54 D 4.3727 8.0642 118.9576 57.3089 40.6733 178.5400 55 E 4.0350 7.9280 119.4818 59.0922 29.3515 179.4766 56 K 3.9445 8.2498 118.7703 59.2606 32.0979 179.4873 57 V 3.5846 7.9370 118.5669 66.1431 31.2983 177.4079 58 E 3.9391 8.0278 117.5062 59.4516 29.6199 178.6268 59 L 4.0767 8.0415 118.6842 57.8878 41.2555 178.7379 60 Y 3.9491 8.2073 119.6451 60.9100 38.6447 178.2873 61 R 4.3218 8.6218 116.6389 58.0659 30.4034 178.1933 62 L 4.0357 7.7178 121.2006 57.3068 42.1343 178.3259 63 K 3.6126 7.4926 118.7705 57.1155 32.5084 176.1258 64 F 5.2810 6.6492 115.5927 55.4320 41.6081 175.6938 65 K 3.7763 9.7914 126.8737 58.5523 32.2735 177.0054 66 E 5.0029 7.9133 113.8365 53.4706 32.5749 175.9646 67 S 4.8088 8.5265 117.7594 57.4094 65.3026 175.3869 68 F 3.8784 9.1528 120.4353 60.7205 38.3486 177.7179 69 A 4.0562 8.0794 118.8162 55.3294 18.4027 179.1169 70 E 4.1109 7.8872 116.7807 59.7048 29.3586 179.4808 71 M 4.1542 8.2630 116.4409 57.8277 31.3610 177.2943 72 N 4.7417 8.0729 115.7530 52.0539 39.2587 175.2538 73 R 4.0569 7.1647 121.3997 56.4211 30.7688 176.0148 74 S 4.8293 8.3791 117.8677 56.8795 65.1060 172.8622 75 T 4.7450 8.1388 110.7134 60.3838 71.9480 173.0167 76 N 4.8202 8.3879 115.1781 53.3308 38.9414 176.9073 77 E 3.8945 8.1813 122.1742 59.3211 29.5277 178.6145 78 W 4.3913 8.4920 116.0812 59.7917 27.7467 178.1106 79 K 2.9934 6.3278 118.4195 59.2539 31.3234 179.2538 80 T 3.7556 7.5294 115.1971 66.5602 68.4240 176.5399 81 V 3.6117 7.9898 120.1844 66.1213 31.6179 178.1691 82 V 3.8011 8.6001 118.2981 65.9687 31.4115 178.2368 83 G 3.5600 8.5166 105.6051 47.9081 0.0000 175.6372 84 A 4.0935 8.4444 123.7167 54.4786 18.2868 179.6012 85 A 4.1366 8.2768 119.5639 55.8742 18.5068 179.8672 86 M 4.0868 8.2300 117.2044 58.1747 31.8698 178.8946 87 F 4.0729 8.3147 121.0716 61.4055 39.4759 177.3435 88 F 4.0405 8.2747 117.3633 60.4657 38.4117 177.7986 89 I 3.9598 8.0128 119.2633 63.9902 37.1743 178.3597 90 G 3.6475 8.0924 106.9242 47.7176 0.0000 175.4062 91 F 4.0361 8.0991 123.5362 61.3877 39.2270 177.3120 92 T 3.6327 7.6787 115.1003 66.4759 68.1894 176.3478 93 A 4.0331 7.8341 122.4182 54.8331 18.2411 179.7880 94 L 3.8648 7.6780 117.9700 57.7825 41.6898 179.3285 95 L 3.8017 7.4424 118.4043 57.7447 41.6029 179.3392 96 L 4.0040 7.7711 118.6535 57.9927 41.6136 179.5687 97 I 3.7263 7.8966 119.6237 64.2633 36.9833 178.2453 98 W 4.2986 8.4656 129.3321 60.5451 30.5263 177.8505 99 E 3.8523 8.7152 117.6837 59.0641 27.4520 179.0798 100 K 4.0314 8.0053 120.5338 59.7710 32.1178 178.3762 101 H 4.2446 8.0146 117.1348 58.5586 29.8360 175.8374 102 Y 4.2765 7.7438 116.5806 57.8065 39.1095 176.6080 103 V 3.9722 7.5227 118.5085 63.6555 33.1146 175.3992 104 Y 4.7642 7.1267 117.6620 56.9227 38.3198 176.2148 105 G 3.9206 8.4807 115.2611 44.0889 0.0000 170.5420 106 P 4.4617 0.0000 0.0000 61.7054 32.2986 176.1529 107 I 3.8254 7.8925 114.4512 59.5801 38.5540 173.9143 108 P 4.3663 0.0000 0.0000 63.1057 31.6380 177.0411 109 H 4.2420 8.5325 114.7798 58.3157 28.5220 176.9353 110 T 2.7039 6.9887 107.9245 62.1000 68.2053 174.5966 111 F 4.6199 7.4439 119.3528 57.7297 39.8769 176.6271 112 E 4.3033 7.9550 121.1045 55.7617 31.2480 177.3104 113 E 4.0241 8.8774 121.4240 59.8204 29.5359 179.4006 114 E 3.9047 8.2394 118.3970 59.1225 29.8509 178.2693 115 W 4.0149 8.3480 127.7545 60.8459 30.7183 178.2176 116 V 4.0077 8.4477 112.1138 64.1690 30.9008 178.5246 117 A 4.0593 8.1273 120.9273 54.9587 18.1738 179.8479 118 K 3.7990 8.1855 117.1792 59.6423 32.0625 179.4267 119 Q 3.8901 8.4991 120.1288 59.4089 28.9288 178.4521 120 T 3.9974 8.1938 117.0860 66.2361 68.5043 176.6799 121 K 3.6281 7.9745 121.5953 59.4045 32.2030 178.6136 122 R 3.7939 8.1323 119.3331 59.8466 29.9186 178.1863 123 M 3.9373 8.2758 118.5737 58.5604 32.0465 178.8764 124 L 4.1025 8.2725 119.2767 57.6031 41.3792 179.4167 125 D 4.4066 8.2397 119.0964 57.3069 40.8915 177.7690 126 M 4.2718 8.0208 114.2306 54.2403 32.5575 176.1896 127 K 3.9539 7.6617 116.9359 56.5951 30.2701 176.3321 128 V 3.4789 8.0500 118.6383 63.8422 32.6033 174.7692 129 A 3.8960 8.6931 130.6846 52.8248 15.3249 175.3216 130 P 4.4677 0.0000 0.0000 64.4272 32.5540 178.8874 131 I 4.1490 7.8074 118.7226 63.5912 37.6561 175.6597 132 Q 4.7771 7.9520 115.3503 57.2557 36.3545 176.1184 133 G 3.7400 8.3690 105.8327 48.1008 0.0000 172.7279 134 F 4.6688 7.8705 120.6539 58.8595 42.2375 177.0706 135 S 4.3371 9.5415 117.5863 61.4686 63.1643 176.4296 136 A 4.3633 8.2339 121.0839 53.7652 18.5972 177.5023 137 K 4.8207 8.5502 116.3198 55.6697 33.3927 175.5584 138 W 5.1800 8.1243 128.5775 55.7291 34.1201 174.4746 139 D 4.3967 7.7990 127.0288 52.6604 40.3436 176.2945 140 Y 4.3869 8.4683 124.1940 61.0478 38.4671 178.1186 141 D 4.4799 8.1641 119.0763 57.0772 40.8808 177.4841 142 K 4.1931 7.9077 114.2469 55.2710 32.9139 176.3100 143 N 3.8051 7.5688 115.8091 53.0506 36.5405 173.2395 144 E 4.0163 5.9000 115.0311 54.0369 33.7018 176.2675 145 W 4.5610 8.2997 121.3869 56.9098 29.4840 176.0367 146 K 3.9173 8.4797 126.7162 56.5377 32.5401 176.6603 147 K 3.9945 8.2983 125.7283 57.3896 32.2659 174.2699 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 4 S 8.33 4.35 0.00 3.80 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 5 V 8.04 3.83 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 0.74 0.00 0.00 0.92 0.00 0.00 6 V 8.99 4.40 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 0.92 0.00 0.00 0.97 0.00 0.00 7 K 8.28 4.74 0.00 1.92 1.92 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.36 7.81 8 S 8.82 4.19 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.11 4.18 0.00 1.89 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 2.42 0.00 10 D 8.22 4.68 0.00 2.87 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 11 Y 7.54 4.14 0.00 2.98 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 12 A 7.24 4.42 1.13 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 0.00 0.00 13 L 7.39 4.64 0.00 1.73 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.45 0.00 2.07 2.04 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 15 S 8.19 4.81 0.00 3.98 3.84 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 16 Y 8.37 4.62 0.00 2.98 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 17 V 6.74 4.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.84 0.00 0.00 18 D 8.40 4.47 0.00 2.63 2.56 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 19 R 8.16 4.41 0.00 1.88 1.91 0.00 2.90 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 20 R 8.47 3.66 0.00 1.83 2.14 0.00 3.34 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 21 D 7.99 4.82 0.00 2.84 2.79 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 22 Y 8.44 4.91 0.00 2.74 2.86 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 23 P 0.00 4.39 0.00 2.26 2.41 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 24 L 7.19 4.64 0.00 1.50 1.66 0.94 1.17 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 25 P 0.00 4.45 0.00 2.21 2.10 0.00 4.01 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.94 0.00 26 D 8.77 4.72 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.33 4.50 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 0.88 0.00 0.00 0.98 0.00 0.00 28 A 8.36 4.17 1.18 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 29 H 8.72 3.65 0.00 2.32 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.35 4.18 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 0.80 0.00 0.00 0.70 0.00 0.00 31 K 8.10 4.14 0.00 1.76 1.80 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.29 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.41 7.81 32 N 7.90 4.68 0.00 2.66 2.73 0.00 0.00 6.79 7.85 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 33 L 8.23 4.84 0.00 1.59 1.54 0.89 0.96 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 34 S 8.94 4.53 0.00 4.01 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 35 A 8.51 3.95 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 36 S 8.02 4.11 0.00 4.05 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.75 3.97 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 38 K 8.31 3.94 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.58 7.81 39 A 8.18 4.13 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 40 L 7.96 3.92 0.00 1.96 1.75 0.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.36 4.06 0.00 1.87 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.75 1.61 7.81 42 E 7.96 4.17 0.00 2.27 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 2.59 2.50 0.00 43 K 7.98 4.07 0.00 1.98 1.92 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.68 7.81 44 E 8.14 4.20 0.00 2.03 2.25 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 2.62 2.36 0.00 45 K 7.88 4.21 0.00 1.92 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.31 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.75 7.81 46 A 7.99 4.38 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 47 S 8.46 4.22 0.00 3.80 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 48 W 8.38 4.67 0.00 3.50 3.11 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 49 S 7.74 4.23 0.00 3.92 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 50 S 7.97 4.47 0.00 4.03 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 51 L 7.74 4.53 0.00 1.93 1.68 1.01 0.83 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 52 S 9.42 4.53 0.00 4.00 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 53 I 8.26 3.68 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 1.64 0.55 0.90 0.00 0.00 54 D 8.06 4.37 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.93 4.03 0.00 2.19 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 2.34 2.36 0.00 56 K 8.25 3.94 0.00 1.98 1.82 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.57 7.81 57 V 7.94 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 1.03 0.00 0.00 0.93 0.00 0.00 58 E 8.03 3.94 0.00 2.15 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 0.00 2.32 2.38 0.00 59 L 8.04 4.08 0.00 2.07 1.68 0.89 0.47 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 60 Y 8.21 3.95 0.00 3.13 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 61 R 8.62 4.32 0.00 1.83 2.03 0.00 3.49 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 62 L 7.72 4.04 0.00 2.04 1.51 0.90 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.49 3.61 0.00 1.35 0.74 0.00 1.41 0.00 0.00 1.38 0.00 0.00 2.73 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.02 7.81 64 F 6.65 5.28 0.00 2.69 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 9.79 3.78 0.00 1.22 2.23 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.12 7.81 66 E 7.91 5.00 0.00 2.32 1.91 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 2.50 2.23 0.00 67 S 8.53 4.81 0.00 4.10 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 0.00 68 F 9.15 3.88 0.00 3.05 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 69 A 8.08 4.06 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 70 E 7.89 4.11 0.00 2.32 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 2.36 0.00 71 M 8.26 4.15 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 72 N 8.07 4.74 0.00 2.80 2.90 0.00 0.00 6.96 7.46 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 73 R 7.16 4.06 0.00 1.92 1.95 0.00 3.26 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 74 S 8.38 4.83 0.00 4.06 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 75 T 8.14 4.74 4.27 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 1.24 0.00 0.00 76 N 8.39 4.82 0.00 2.68 2.61 0.00 0.00 6.43 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 77 E 8.18 3.89 0.00 2.07 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 2.35 2.35 0.00 78 W 8.49 4.39 0.00 3.72 3.39 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 79 K 6.33 2.99 0.00 1.41 1.37 0.00 1.28 0.00 0.00 1.25 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.53 3.76 4.33 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 1.19 0.00 0.00 81 V 7.99 3.61 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 1.08 0.00 0.00 0.99 0.00 0.00 82 V 8.60 3.80 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 1.10 0.00 0.00 1.25 0.00 0.00 83 G 8.52 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 84 A 8.44 4.09 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 85 A 8.28 4.14 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 86 M 8.23 4.09 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 87 F 8.31 4.07 0.00 3.04 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 88 F 8.27 4.04 0.00 3.27 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 89 I 8.01 3.96 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.93 0.00 0.00 90 G 8.09 3.65 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 0.00 0.00 0.00 91 F 8.10 4.04 0.00 2.54 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 92 T 7.68 3.63 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 1.17 0.00 0.00 93 A 7.83 4.03 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 94 L 7.68 3.86 0.00 1.40 1.56 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.44 3.80 0.00 1.68 1.58 0.79 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.77 4.00 0.00 1.88 1.74 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.90 3.73 2.07 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 1.43 0.82 0.96 0.00 0.00 98 W 8.47 4.30 0.00 3.38 3.29 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 99 E 8.72 3.85 0.00 2.21 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 2.38 1.93 0.00 100 K 8.01 4.03 0.00 2.01 2.07 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 101 H 8.01 4.24 0.00 3.10 3.10 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.74 4.28 0.00 1.43 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 0.00 0.00 0.00 0.00 103 V 7.52 3.97 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 0.69 0.00 0.00 0.70 0.00 0.00 104 Y 7.13 4.76 0.00 3.19 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 0.00 105 G 8.48 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 0.00 106 P 0.00 4.46 0.00 2.15 2.01 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 107 I 7.89 3.83 1.46 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.28 0.61 0.00 0.00 108 P 0.00 4.37 0.00 2.07 2.19 0.00 3.74 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 2.57 2.11 0.00 109 H 8.53 4.24 0.00 3.44 3.53 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 6.99 2.70 3.41 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 -0.09 0.00 0.00 111 F 7.44 4.62 0.00 3.15 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 0.00 112 E 7.96 4.30 0.00 2.18 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 2.49 0.00 113 E 8.88 4.02 0.00 2.07 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 0.00 2.47 2.44 0.00 114 E 8.24 3.90 0.00 2.10 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 2.39 2.39 0.00 115 W 8.35 4.01 0.00 3.58 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 0.00 116 V 8.45 4.01 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 0.84 0.00 0.00 1.08 0.00 0.00 117 A 8.13 4.06 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 0.00 118 K 8.19 3.80 0.00 1.57 1.57 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.35 7.81 119 Q 8.50 3.89 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 120 T 8.19 4.00 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 1.61 0.00 0.00 121 K 7.97 3.63 0.00 1.77 1.89 0.00 1.34 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.39 7.81 122 R 8.13 3.79 0.00 1.78 1.96 0.00 3.07 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 123 M 8.28 3.94 0.00 1.70 2.16 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.40 0.00 124 L 8.27 4.10 0.00 1.49 1.22 -0.79 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.24 4.41 0.00 2.68 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 0.00 126 M 8.02 4.27 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.85 0.00 127 K 7.66 3.95 0.00 1.92 1.94 0.00 1.69 0.00 0.00 1.40 0.00 0.00 2.46 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.37 7.81 128 V 8.05 3.48 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 0.73 0.00 0.00 0.86 0.00 0.00 129 A 8.69 3.90 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 0.00 130 P 0.00 4.47 0.00 2.27 2.40 0.00 3.83 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 131 I 7.81 4.15 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 0.95 0.00 0.00 132 Q 7.95 4.78 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 8.37 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 0.00 134 F 7.87 4.67 0.00 3.16 3.32 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 0.00 135 S 9.54 4.34 0.00 4.12 4.27 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 0.00 136 A 8.23 4.36 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 0.00 137 K 8.55 4.82 0.00 1.90 1.87 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.40 7.81 138 W 8.12 5.18 0.00 2.93 2.66 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 0.00 139 D 7.80 4.40 0.00 2.39 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 0.00 0.00 0.00 0.00 140 Y 8.47 4.39 0.00 3.12 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 0.00 141 D 8.16 4.48 0.00 2.81 2.71 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 0.00 142 K 7.91 4.19 0.00 1.51 1.67 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.34 7.81 143 N 7.57 3.81 0.00 2.77 2.81 0.00 0.00 6.68 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 0.00 144 E 5.90 4.02 0.00 1.74 1.69 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 1.98 1.99 0.00 145 W 8.30 4.56 0.00 3.20 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 0.00 146 K 8.48 3.92 0.00 1.73 1.79 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.36 7.81 147 K 8.30 3.99 0.00 1.70 1.59 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.17 1.32 7.81