NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7205 8.3544 109.7277 45.3714 0.0000 175.6257 2 S 4.0676 8.9844 123.7423 56.1036 62.3837 170.6861 3 S 4.2177 8.8877 123.3704 60.6967 63.1197 173.9261 4 G 4.1326 7.5704 104.1899 45.4687 0.0000 172.7959 5 S 4.4713 8.4239 114.9030 57.3070 66.8532 174.5063 6 S 3.9721 9.0214 121.2364 61.0143 62.0231 174.3307 7 G 3.7552 8.3609 110.1163 46.2939 0.0000 171.9085 8 N 4.8642 8.3153 123.1865 51.4042 40.0295 176.0608 9 R 4.5596 8.1366 120.1932 55.5076 29.9830 176.4859 10 L 4.0935 7.9064 119.3082 55.4035 41.1182 177.3008 11 L 4.0124 8.4488 124.0576 54.5493 42.1655 177.3049 12 S 3.9344 8.2092 115.6718 58.4840 62.5444 173.5420 13 K 4.5265 8.0640 124.8795 56.5283 34.8363 173.5879 14 Y 4.5876 8.2035 119.0246 55.3654 42.1331 174.4972 15 D 4.7334 7.7217 123.3289 51.4808 44.8321 174.2532 16 P 4.5871 0.0000 0.0000 64.5567 31.5898 177.3262 17 Q 4.3503 8.1661 117.6741 57.9606 29.5349 177.9836 18 K 3.8758 7.8025 119.8771 59.0359 32.0723 178.4310 19 E 3.4960 7.7320 119.1383 59.4597 29.3734 178.9917 20 A 3.8807 7.3451 120.2545 55.2048 18.1740 179.3102 21 E 3.9337 8.1241 116.5082 60.0574 29.8009 179.0877 22 L 4.3248 7.8968 118.9946 57.2178 41.7841 179.0313 23 R 4.1469 8.0549 115.8974 60.4232 28.9751 179.0058 24 T 4.1640 8.2721 115.9258 65.6373 68.1512 176.1934 25 W 4.4915 8.8442 130.1797 58.9922 30.8703 178.1969 26 I 3.1408 7.4555 119.2890 63.6660 37.1025 177.3606 27 E 3.9985 8.4598 119.8734 59.7522 29.1110 179.9818 28 G 3.6295 7.3305 104.3521 47.5126 0.0000 175.5660 29 L 3.9732 6.8348 120.7587 57.9089 41.7443 179.2534 30 T 4.0980 7.7242 108.8858 62.3279 69.1280 175.8940 31 G 3.7813 8.4279 108.5198 45.3294 0.0000 173.0130 32 L 4.4999 7.2609 119.5911 53.1291 43.6341 175.5817 33 S 4.9068 8.1657 114.6407 57.2762 65.6192 174.5628 34 I 3.7243 8.4419 126.4932 65.4782 37.2773 175.0448 35 G 3.9280 8.1236 102.4356 43.0332 0.0000 171.7840 36 P 4.3765 0.0000 0.0000 65.1197 31.5983 176.6500 37 D 4.7280 7.7407 120.1470 52.0434 39.6971 176.4012 38 F 4.0302 8.2430 124.1511 61.2764 39.8338 175.9492 39 Q 3.8423 8.3986 118.3706 60.1069 28.8010 178.6671 40 K 4.1204 8.7341 120.0529 58.2992 31.7703 179.5950 41 G 4.4859 7.4779 108.8538 48.1863 0.0000 174.6874 42 L 4.1461 7.9675 120.6887 57.1292 41.7482 178.4843 43 K 3.8982 8.1798 117.5133 59.6953 32.2918 176.5449 44 D 5.1091 7.5044 117.4353 54.2434 39.6310 177.4698 45 G 3.6501 8.5091 106.5190 46.9212 0.0000 175.2779 46 T 4.1478 8.1524 111.5067 64.1805 69.6520 176.1608 47 I 3.6430 7.4839 124.1300 63.5335 37.2491 178.4189 48 L 3.4182 7.5717 119.1708 58.0520 41.5091 179.2606 49 C 4.0589 7.8035 116.4792 62.7052 28.1349 175.6285 50 T 3.7818 7.3808 110.8331 64.9409 68.1148 175.4916 51 L 3.6351 7.9393 123.6454 58.0957 41.9520 178.7556 52 M 4.0805 7.3582 117.0329 58.9218 32.0769 177.5569 53 N 4.7761 7.5635 115.9382 55.8813 38.7884 177.0393 54 K 4.0867 7.8315 118.4574 59.4293 32.2318 179.1813 55 L 4.2612 7.2581 116.3724 56.1706 41.9581 177.1446 56 Q 4.7202 8.1911 120.8406 53.4552 30.6203 173.9790 57 P 4.6240 0.0000 0.0000 63.9624 31.9077 177.1046 58 G 4.2507 7.7453 108.0950 44.8600 0.0000 172.7827 59 S 4.5127 7.8977 115.9218 59.0643 65.0982 174.0996 60 V 4.6351 7.3226 120.9561 59.2601 33.1921 173.9569 61 P 4.3908 0.0000 0.0000 65.2739 31.5505 176.2244 62 K 4.5339 7.5545 116.9422 54.6673 34.9195 174.1467 63 I 4.3839 8.0602 123.7229 59.4979 39.2005 175.6633 64 N 4.5875 8.7542 123.1767 52.4119 37.7126 175.3868 65 R 4.3471 8.1993 128.0321 56.7235 30.4316 176.0471 66 S 4.8884 7.7487 111.5925 57.0585 65.8634 173.5773 67 M 4.5043 8.3388 119.4699 56.2935 32.5956 176.3333 68 Q 4.4641 7.6440 114.9584 54.1620 33.0110 174.3040 69 N 4.4024 7.7446 118.9575 54.7689 38.3993 177.3446 70 W 4.3964 7.0856 117.2839 60.4693 28.1198 178.1084 71 H 4.3995 8.0977 116.3129 58.8229 27.9452 177.5482 72 Q 4.3037 8.2297 121.3825 58.3484 28.5448 179.1164 73 L 3.6257 8.2478 120.1324 57.7737 41.6582 178.8880 74 E 3.8865 8.3256 119.3463 59.7450 29.3649 178.5376 75 N 4.3096 7.9354 116.1485 56.6109 38.6420 177.1116 76 L 4.1636 7.5570 119.4465 58.2794 41.3287 179.9262 77 S 4.1173 8.1465 114.8120 61.5848 62.4449 176.7245 78 N 4.3752 8.2874 118.9260 56.0965 38.6534 177.0106 79 F 4.5258 8.5125 122.2052 62.1663 39.5757 176.3769 80 I 2.9319 8.0161 119.0710 64.3723 36.1785 177.8733 81 K 3.8602 8.0512 118.6656 60.5648 32.0854 178.9285 82 A 4.2391 7.8554 121.6880 55.1238 18.4133 179.4063 83 M 3.9666 8.2176 117.5908 58.5616 32.1443 178.8529 84 V 3.6171 7.1688 118.7259 66.3549 31.3356 178.0401 85 S 4.2095 7.6547 111.5419 61.4037 62.5418 174.8736 86 Y 4.4253 7.9863 122.1556 61.2956 38.2149 176.2546 87 G 3.6751 6.9907 106.4357 45.6329 0.0000 173.6604 88 M 4.4437 7.9644 121.1063 54.2228 33.2985 175.3351 89 N 4.8743 8.2248 116.7159 51.4258 40.1684 174.6710 90 P 4.5140 0.0000 0.0000 64.1871 31.6560 177.1291 91 V 4.3200 7.5715 117.5450 62.1736 33.0151 176.3268 92 D 4.8548 7.8278 120.1408 54.4133 40.3479 175.6645 93 L 4.7770 7.6403 119.5003 52.0790 44.2801 175.5373 94 F 5.0253 7.7925 113.0038 55.1780 40.4056 174.4811 95 E 4.1338 9.3382 122.5370 55.8497 30.3747 178.1575 96 A 3.9383 8.5422 122.3417 55.6063 18.3764 179.8870 97 N 4.4616 8.3105 114.5439 56.5370 38.6785 176.9761 98 D 4.4542 7.6597 120.1659 57.3228 40.9822 178.9260 99 L 4.1102 8.0309 119.4101 57.8488 42.4403 177.4489 100 F 4.1331 8.2166 118.7445 61.1543 39.7610 177.1831 101 E 4.4982 9.0796 117.3845 57.3957 30.6533 176.6145 102 S 3.9274 7.9241 109.5553 58.8913 62.8430 173.3600 103 G 3.6980 7.8802 110.5496 48.3610 0.0000 173.8382 104 N 4.2379 8.2490 113.0394 52.6024 42.2176 174.2894 105 M 4.5702 8.3642 125.5281 55.8599 33.0277 177.7762 106 T 4.4392 7.8957 110.9350 64.3200 69.6686 176.8151 107 Q 4.0538 8.2235 121.9647 58.8700 28.9197 178.0697 108 V 3.1703 7.7339 118.9955 65.4262 31.5897 177.6771 109 Q 3.9735 7.6777 118.5188 59.2679 28.8755 178.5602 110 V 3.5512 7.5929 112.8341 64.4033 31.3563 178.1747 111 S 4.4249 7.8653 114.0709 61.0560 62.0826 176.5639 112 L 4.3081 7.7555 120.9345 57.8929 40.9489 179.5322 113 L 3.8382 7.9613 118.3957 57.0656 41.5704 179.0352 114 A 4.0062 8.1346 120.9234 54.1716 19.2902 179.1656 115 L 4.1586 8.3197 118.9630 57.9498 42.0848 179.0372 116 A 3.3795 8.1714 121.5146 54.7712 17.8979 179.4998 117 G 3.7424 6.9698 102.6038 48.0818 0.0000 175.2629 118 K 4.1491 7.7912 119.9455 59.1457 32.3549 178.7054 119 A 4.6213 8.2161 122.4364 54.6942 18.2840 179.4693 120 K 3.9471 8.6081 117.4345 60.3721 31.9403 179.0699 121 T 3.8467 7.5048 111.9061 65.2469 67.6686 174.4554 122 K 4.0236 8.6409 120.5422 59.5962 31.6599 177.9203 123 G 3.6619 7.8512 107.8893 46.2749 0.0000 173.3882 124 L 3.9056 8.0391 119.3004 55.4344 41.1562 177.7294 125 Q 4.1227 8.6523 121.5039 55.9907 29.2204 175.6546 126 S 4.9795 8.5735 117.8701 56.7832 67.2499 175.9916 127 G 4.1107 7.8139 110.0454 45.8082 0.0000 176.1166 128 V 3.7352 8.5026 126.0165 61.7308 31.6889 175.1946 129 D 4.6319 8.5027 126.6767 53.1429 40.0645 176.7162 130 I 3.7033 8.3079 119.8435 65.8912 37.5992 175.6600 131 G 3.1079 7.2217 105.5947 45.5061 0.0000 173.4900 132 V 4.4111 7.2817 117.6633 60.5956 34.8661 174.0685 133 K 4.7210 8.6230 127.2050 54.6095 34.0656 174.7109 134 Y 4.8853 8.2779 122.8202 56.1450 40.6290 174.6026 135 S 4.2303 8.4615 117.8007 57.8965 66.5020 173.9760 136 E 4.6371 8.6147 123.4416 54.3664 31.8177 175.0518 137 K 4.4776 7.8990 120.7021 55.1216 34.1498 174.9787 138 Q 4.5543 7.9853 117.8635 56.1749 30.3458 172.7231 139 E 4.6679 8.5441 118.3635 54.9712 32.5925 174.2886 140 R 4.7265 8.3753 121.7357 54.5344 31.7520 175.4572 141 S 4.7377 8.1507 113.0371 56.3263 67.3508 174.3107 142 G 3.5382 9.0815 112.6242 46.4707 0.0000 173.7733 143 P 4.3586 0.0000 0.0000 61.8724 31.0778 176.9032 144 S 4.1366 8.3656 119.2420 58.5548 63.3813 174.4610 145 S 4.1973 8.7680 119.4426 60.7541 62.3742 174.1910 146 G 3.7395 7.6845 111.8169 45.9840 0.0000 172.4356 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 G 8.35 3.72 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 0.00 0.00 0.00 2 S 8.98 4.07 0.00 3.79 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 3 S 8.89 4.22 0.00 3.86 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 4 G 7.57 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 0.00 0.00 0.00 5 S 8.42 4.47 0.00 3.83 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 6 S 9.02 3.97 0.00 3.81 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 7 G 8.36 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 8 N 8.32 4.86 0.00 2.68 2.73 0.00 0.00 6.89 7.60 0.00 0.00 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 8.14 4.56 0.00 1.85 1.93 0.00 3.02 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 10 L 7.91 4.09 0.00 1.64 1.68 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.45 4.01 0.00 1.62 1.62 0.99 0.92 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 12 S 8.21 3.93 0.00 3.86 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 13 K 8.06 4.53 0.00 1.87 1.83 0.00 1.42 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.45 7.81 14 Y 8.20 4.59 0.00 2.93 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 15 D 7.72 4.73 0.00 2.66 2.36 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 16 P 0.00 4.59 0.00 2.29 2.23 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 17 Q 8.17 4.35 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 18 K 7.80 3.88 0.00 1.63 1.77 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.36 7.81 19 E 7.73 3.50 0.00 1.68 1.78 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 1.47 2.11 0.00 20 A 7.35 3.88 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 21 E 8.12 3.93 0.00 2.02 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 2.32 2.56 0.00 22 L 7.90 4.32 0.00 1.80 1.83 0.96 0.91 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 23 R 8.05 4.15 0.00 2.06 2.29 0.00 2.77 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 24 T 8.27 4.16 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 1.25 0.00 0.00 25 W 8.84 4.49 0.00 3.34 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.46 3.14 1.83 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.16 0.68 0.00 0.00 27 E 8.46 4.00 0.00 2.08 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 2.50 2.47 0.00 28 G 7.33 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 29 L 6.83 3.97 0.00 1.32 1.43 -0.52 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.72 4.10 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 1.03 0.00 0.00 31 G 8.43 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 32 L 7.26 4.50 0.00 1.62 1.60 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.17 4.91 0.00 3.80 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 34 I 8.44 3.72 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.94 0.00 0.00 35 G 8.12 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 36 P 0.00 4.38 0.00 2.21 2.21 0.00 3.76 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 1.99 1.99 0.00 37 D 7.74 4.73 0.00 2.72 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 38 F 8.24 4.03 0.00 3.08 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 39 Q 8.40 3.84 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.52 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 40 K 8.73 4.12 0.00 1.89 1.71 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 41 G 7.48 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.15 0.00 1.36 1.45 -0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.18 3.90 0.00 1.85 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.51 1.56 7.81 44 D 7.50 5.11 0.00 3.09 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 45 G 8.51 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 46 T 8.15 4.15 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 1.24 0.00 0.00 47 I 7.48 3.64 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.78 0.00 0.00 48 L 7.57 3.42 0.00 1.51 1.23 1.02 0.73 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 49 C 7.80 4.06 0.00 3.08 2.92 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 50 T 7.38 3.78 4.15 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 0.00 0.00 0.00 1.15 0.00 0.00 51 L 7.94 3.64 0.00 1.45 1.57 0.17 0.63 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 52 M 7.36 4.08 0.00 2.49 2.41 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.81 0.00 53 N 7.56 4.78 0.00 2.92 2.89 0.00 0.00 6.96 7.55 0.00 0.00 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 K 7.83 4.09 0.00 1.80 1.81 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.50 7.81 55 L 7.26 4.26 0.00 1.59 1.76 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.19 4.72 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 57 P 0.00 4.62 0.00 2.24 2.17 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 58 G 7.75 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.90 4.51 0.00 4.09 4.16 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 60 V 7.32 4.64 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 0.99 0.00 0.00 1.03 0.00 0.00 61 P 0.00 4.39 0.00 2.22 2.17 0.00 3.87 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 62 K 7.55 4.53 0.00 1.67 1.67 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.51 7.81 63 I 8.06 4.38 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.95 0.00 0.00 64 N 8.75 4.59 0.00 2.75 2.70 0.00 0.00 7.17 7.90 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 65 R 8.20 4.35 0.00 1.73 1.89 0.00 3.22 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 66 S 7.75 4.89 0.00 3.97 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 67 M 8.34 4.50 0.00 1.96 2.04 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 2.51 2.52 0.00 68 Q 7.64 4.46 0.00 1.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 69 N 7.74 4.40 0.00 2.27 2.59 0.00 0.00 6.67 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 70 W 7.09 4.40 0.00 3.46 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 71 H 8.10 4.40 0.00 3.41 3.43 0.00 5.65 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 72 Q 8.23 4.30 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 73 L 8.25 3.63 0.00 1.65 1.55 0.58 -1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.33 3.89 0.00 2.25 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 2.37 2.47 0.00 75 N 7.94 4.31 0.00 3.10 3.06 0.00 0.00 7.25 6.90 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 76 L 7.56 4.16 0.00 1.85 1.80 1.16 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.15 4.12 0.00 4.02 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 78 N 8.29 4.38 0.00 2.95 2.92 0.00 0.00 7.01 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 79 F 8.51 4.53 0.00 3.06 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.02 2.93 1.62 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.20 0.60 0.00 0.00 81 K 8.05 3.86 0.00 1.96 2.06 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.49 7.81 82 A 7.86 4.24 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 M 8.22 3.97 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.20 0.00 84 V 7.17 3.62 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.88 0.00 0.00 85 S 7.65 4.21 0.00 3.91 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 86 Y 7.99 4.43 0.00 3.17 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 87 G 6.99 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 88 M 7.96 4.44 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.70 0.00 89 N 8.22 4.87 0.00 2.94 2.72 0.00 0.00 6.56 7.99 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 90 P 0.00 4.51 0.00 2.18 2.17 0.00 3.71 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 1.99 1.96 0.00 91 V 7.57 4.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 92 D 7.83 4.85 0.00 2.83 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 93 L 7.64 4.78 0.00 1.53 1.48 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 94 F 7.79 5.03 0.00 3.15 3.15 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 0.00 0.00 0.00 0.00 95 E 9.34 4.13 0.00 2.34 1.95 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 2.35 2.29 0.00 96 A 8.54 3.94 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 97 N 8.31 4.46 0.00 2.83 3.00 0.00 0.00 7.10 8.11 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 98 D 7.66 4.45 0.00 3.09 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 99 L 8.03 4.11 0.00 1.86 1.83 0.78 0.88 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 0.00 100 F 8.22 4.13 0.00 3.14 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 0.00 101 E 9.08 4.50 0.00 2.10 1.93 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 2.25 2.57 0.00 102 S 7.92 3.93 0.00 4.07 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 0.00 103 G 7.88 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 0.00 104 N 8.25 4.24 0.00 2.80 2.79 0.00 0.00 7.15 7.58 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 0.00 105 M 8.36 4.57 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 106 T 7.90 4.44 4.42 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 1.33 0.00 0.00 107 Q 8.22 4.05 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.54 2.76 0.00 108 V 7.73 3.17 1.93 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 0.36 0.00 0.00 0.75 0.00 0.00 109 Q 7.68 3.97 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 5.73 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 110 V 7.59 3.55 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.04 0.00 0.00 111 S 7.87 4.42 0.00 4.35 4.16 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 0.00 112 L 7.76 4.31 0.00 1.96 1.99 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.96 3.84 0.00 1.84 1.64 0.81 0.72 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 0.00 114 A 8.13 4.01 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 0.00 115 L 8.32 4.16 0.00 1.89 1.96 0.81 1.64 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 0.00 116 A 8.17 3.38 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.97 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 0.00 118 K 7.79 4.15 0.00 1.99 2.13 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.61 1.50 7.81 119 A 8.22 4.62 1.72 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 0.00 0.00 120 K 8.61 3.95 0.00 1.94 1.94 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.54 7.81 121 T 7.50 3.85 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 1.33 0.00 0.00 122 K 8.64 4.02 0.00 1.87 1.97 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.84 1.74 7.81 123 G 7.85 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 0.00 124 L 8.04 3.91 0.00 1.76 1.76 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.65 4.12 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 126 S 8.57 4.98 0.00 3.82 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 0.00 127 G 7.81 4.11 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 0.00 128 V 8.50 3.74 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 0.94 0.00 0.00 0.93 0.00 0.00 129 D 8.50 4.63 0.00 2.82 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.31 3.70 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.90 0.00 0.00 131 G 7.22 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 0.00 0.00 0.00 132 V 7.28 4.41 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 0.78 0.00 0.00 0.90 0.00 0.00 133 K 8.62 4.72 0.00 1.75 1.70 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.34 7.81 134 Y 8.28 4.89 0.00 3.11 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 0.00 135 S 8.46 4.23 0.00 3.78 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 0.00 136 E 8.61 4.64 0.00 2.06 1.95 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 2.18 2.22 0.00 137 K 7.90 4.48 0.00 1.72 1.73 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.39 7.81 138 Q 7.99 4.55 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 139 E 8.54 4.67 0.00 1.87 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 0.00 2.19 2.35 0.00 140 R 8.38 4.73 0.00 1.94 1.88 0.00 3.06 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 141 S 8.15 4.74 0.00 3.93 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 0.00 142 G 9.08 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 0.00 143 P 0.00 4.36 0.00 2.17 2.10 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 144 S 8.37 4.14 0.00 3.99 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 0.00 145 S 8.77 4.20 0.00 3.84 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 0.00 146 G 7.68 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