NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4000 8.3049 120.3486 55.1193 33.3963 175.2650 2 L 4.1558 8.3183 125.4832 53.1122 42.5409 175.1691 3 T 4.3659 8.4881 110.0595 62.6471 71.1876 174.2791 4 D 4.6720 7.4936 120.7606 50.1708 41.7132 172.8645 5 P 4.2224 0.0000 0.0000 65.2689 31.4285 177.8320 6 I 3.5597 7.7499 117.6221 64.4087 37.1261 178.1805 7 A 3.9218 9.4237 122.7387 54.9467 18.0133 179.1579 8 D 4.1914 8.2990 117.1213 57.6832 41.2517 178.0894 9 M 4.0098 7.9597 118.4881 58.6702 32.2223 177.7948 10 L 3.8123 8.0380 119.4005 58.4141 41.7566 180.0609 11 T 3.7884 8.1074 115.3075 66.6236 68.3746 176.8214 12 R 3.9100 8.4744 120.6869 59.5807 30.1512 179.0908 13 I 3.6157 7.9966 119.4799 64.2430 36.8760 178.2718 14 R 3.7621 7.7820 118.4154 59.6957 29.7393 177.9314 15 N 4.4029 8.8656 116.4185 56.1329 38.5312 177.2213 16 A 4.0195 8.2583 122.7093 55.5163 18.5175 179.8799 17 T 4.5448 7.8420 109.4380 64.5004 68.5344 176.7413 18 R 3.7908 7.5058 119.1161 57.7292 30.0664 178.1573 19 V 4.2612 7.2966 109.8549 59.9453 32.3464 174.7155 20 Y 3.2836 7.2435 114.7866 58.2938 35.9221 171.1291 21 K 4.1174 7.8668 117.3444 56.8410 33.1519 177.3967 22 E 4.3329 8.9315 121.8383 58.9423 30.3637 175.4992 23 S 5.5376 7.9173 113.1131 58.4688 66.3028 172.1096 24 T 4.3513 7.0423 117.3442 62.7737 71.2957 173.5632 25 D 5.4510 8.7217 128.3201 52.9020 43.3668 175.9904 26 V 4.3878 8.2656 115.6441 60.1701 34.3326 170.8202 27 P 3.4779 0.0000 0.0000 62.8676 31.5569 175.9508 28 A 4.2925 8.3407 127.0785 52.0794 19.2822 177.1076 29 S 4.4873 8.3704 112.6611 56.1086 65.8010 175.5197 30 R 3.8908 8.7862 123.9382 59.7606 29.8753 178.5086 31 F 4.4014 8.3644 119.3441 61.7119 39.2424 177.1473 32 K 3.5392 8.1700 118.8552 59.3044 31.8587 178.3501 33 E 3.4962 8.2550 119.9042 59.1419 29.3442 178.2612 34 E 3.8833 8.3064 118.5773 59.3792 29.9475 178.6912 35 I 3.7420 7.3513 119.6454 64.1825 37.0781 178.2120 36 L 3.8282 7.5059 119.7788 57.8787 41.3474 179.5610 37 R 4.0819 7.9094 118.1211 59.6859 29.9577 179.0207 38 I 3.7339 7.6352 118.5143 64.4934 37.2189 178.1810 39 L 4.0697 8.1390 119.1205 58.5360 41.3134 178.9937 40 A 4.2390 8.6843 120.9380 54.4679 18.0969 179.2784 41 R 3.9276 8.4762 117.3419 59.7783 30.4689 178.4990 42 E 4.1096 8.9460 116.2624 56.6647 30.0409 176.5659 43 G 3.6431 8.7274 107.4229 46.8450 0.0000 174.2689 44 F 4.8030 8.6851 117.5157 57.2490 40.7741 176.6919 45 I 4.7578 7.3871 112.1562 58.6497 40.3576 175.1852 46 K 3.9299 8.8330 122.3834 58.7060 32.2315 177.5047 47 G 4.3033 7.2333 104.3663 43.7913 0.0000 169.7667 48 Y 5.8332 7.9169 117.5239 55.6647 41.4629 174.2633 49 E 4.8328 8.5271 114.6533 56.0298 31.5763 176.6929 50 R 4.6772 8.7111 121.1633 56.7010 31.4234 175.5616 51 V 4.3758 7.9825 111.9567 60.8691 36.2892 172.9931 52 D 5.8500 8.0908 119.1697 51.6055 40.7826 176.3406 53 V 3.4571 7.6279 117.2479 63.6557 31.0014 174.6626 54 D 4.3033 9.1404 129.6328 55.3436 38.9439 175.6085 55 G 4.1046 8.5907 106.8341 44.9421 0.0000 174.1788 56 K 4.5870 7.4146 118.0281 53.9455 34.1207 173.6529 57 P 4.9572 0.0000 0.0000 63.2255 32.5791 174.6021 58 Y 5.0309 8.8225 123.5839 56.0664 42.2859 174.3513 59 L 4.8899 8.4480 119.5953 53.7798 45.7418 176.4512 60 R 4.1120 9.0385 125.0188 56.1624 31.1173 176.2444 61 V 4.4436 8.7756 125.9585 61.4480 33.3947 174.3261 62 Y 4.7419 8.9148 127.7561 57.1054 38.7388 175.5341 63 L 4.6231 8.5622 125.0299 54.2061 42.9104 176.6169 64 K 4.7858 8.0591 119.4875 55.2316 35.4723 174.8859 65 Y 4.8451 8.2871 118.3106 56.7567 42.9656 176.1833 66 G 4.2408 9.0061 110.5647 44.7803 0.0000 171.4604 67 P 4.6320 0.0000 0.0000 61.3712 32.7026 175.5632 68 R 3.9766 8.3793 120.3819 57.4511 30.6936 175.1871 69 R 4.6965 8.2611 122.3974 53.7556 33.3533 177.7491 70 Q 4.4316 9.1156 116.5782 56.7099 29.9693 176.2032 71 G 4.3136 8.0758 106.8525 44.4305 0.0000 174.1215 72 P 4.3709 0.0000 0.0000 62.3239 31.9974 175.7835 73 D 4.2076 8.4197 113.1369 55.3342 38.6590 170.8794 74 P 4.6437 0.0000 0.0000 62.2882 31.9290 176.8920 75 R 4.0871 7.7498 118.4354 56.0273 30.3586 175.0092 76 P 4.5902 0.0000 0.0000 62.3955 32.3774 175.7929 77 E 4.2446 8.9406 122.5945 56.8534 30.7848 176.1556 78 Q 4.6987 8.6247 123.3879 55.5840 29.9155 176.3699 79 V 3.9251 8.2673 120.2654 64.7773 32.1678 176.6738 80 I 4.3392 7.1947 121.1050 60.0425 35.6450 174.9200 81 H 4.2921 8.4364 119.3388 57.5138 29.4349 175.2312 82 H 4.0097 7.7352 117.3377 55.1793 33.3182 172.5100 83 I 4.4171 8.1226 126.2479 59.2289 40.0450 173.5629 84 R 4.5224 8.0475 130.0485 54.1378 32.5347 174.6863 85 R 3.9603 8.4945 126.7081 56.8561 30.3845 174.2917 86 I 4.0563 8.1825 127.8230 62.7502 37.5304 175.6600 87 S 4.1581 7.7807 120.8503 58.7507 63.0557 174.0174 88 K 4.6972 8.3793 126.2841 53.3424 35.2858 174.4379 89 P 4.0765 0.0000 0.0000 64.2603 32.0993 176.5807 90 G 3.5515 8.6044 110.7010 45.2891 0.0000 171.8757 91 R 3.6151 7.4004 117.8902 55.9588 30.8754 174.3915 92 R 4.0478 7.3288 118.3602 56.1022 31.3553 176.8324 93 V 4.1170 8.4976 121.9877 61.3577 33.7111 173.7459 94 Y 5.5798 8.3664 125.2082 56.4304 40.5991 175.6891 95 V 4.6855 8.9567 115.7921 59.4369 36.3015 176.0096 96 G 4.1467 10.0077 114.2292 44.6702 0.0000 175.2422 97 V 3.6424 8.2349 118.4919 64.4494 31.4615 178.1246 98 K 4.2485 8.0293 117.2503 57.6180 32.0674 176.9445 99 E 4.6436 7.9782 117.8115 55.8923 29.9469 175.7598 100 I 4.0128 7.4266 121.3512 60.0588 37.6155 174.5618 101 P 4.4065 0.0000 0.0000 62.8478 31.7935 176.5701 102 R 4.2974 8.0673 119.1334 54.1097 30.2595 175.4907 103 V 3.5389 8.0926 122.4073 63.3849 31.6914 176.0444 104 R 3.7453 8.5015 129.2838 59.1876 26.7430 176.8412 105 R 3.7912 8.9463 108.5238 57.2457 28.4657 177.7252 106 G 4.1118 8.2577 107.1779 45.9440 0.0000 175.6419 107 L 4.1333 8.3385 118.9760 56.4838 41.6752 176.4140 108 G 4.5226 7.7386 104.5036 45.4462 0.0000 170.3224 109 I 5.2203 9.1489 112.4761 58.6822 41.5742 173.7970 110 A 4.8814 8.5624 121.1030 51.1117 22.9010 175.6653 111 I 4.9164 8.9638 123.0953 59.6124 39.7572 174.7541 112 L 5.2245 8.5705 127.4849 54.1599 43.8679 175.4279 113 S 5.0440 9.1843 116.2647 57.2347 63.8934 173.2803 114 T 4.9574 8.6445 118.1526 59.5175 71.4745 175.6805 115 S 4.1084 8.7954 115.9521 60.2522 63.0006 174.9424 116 K 4.2988 7.7714 119.5216 56.1715 32.1180 175.8004 117 G 3.8296 8.6174 106.9836 44.0815 0.0000 172.9743 118 V 4.5069 8.0439 119.1203 62.4628 32.1777 175.1188 119 L 5.0451 9.0325 127.4881 54.2538 44.2729 175.5483 120 T 4.6061 8.7788 111.0189 61.5704 69.7025 174.8459 121 D 4.4347 9.0540 123.8040 56.9142 39.0273 179.3909 122 R 3.9489 7.9579 116.7805 59.0509 29.4856 178.3291 123 E 3.9045 8.0730 119.1281 58.9330 29.4796 178.9584 124 A 3.9970 8.3485 120.9300 55.4969 18.3758 179.8730 125 R 3.8467 8.0614 116.1532 59.2802 29.9549 178.9600 126 K 3.9185 8.0836 118.2501 59.6585 32.3528 178.4238 127 L 4.2270 8.4592 115.4878 54.5342 41.6326 177.0995 128 G 4.0584 8.1033 107.0060 46.4009 0.0000 173.9783 129 V 4.5061 8.0963 109.9374 59.3384 35.9559 175.2367 130 G 4.3654 8.5102 110.3158 44.7965 0.0000 172.4357 131 G 3.9032 7.3350 104.3637 46.1296 0.0000 171.1450 132 E 4.8118 8.0125 123.7529 55.8535 31.1077 177.4169 133 L 4.4230 8.9591 130.4557 54.8884 41.4609 177.1236 134 I 3.9534 8.9363 128.3990 63.4364 38.4067 175.6776 135 C 4.9941 7.1949 115.1570 58.0429 32.1322 172.2870 136 E 5.0268 8.2556 116.4194 54.6022 32.6572 175.1061 137 V 4.6535 8.0990 120.4014 61.0348 35.7394 175.0798 138 W 4.6900 8.4112 122.9923 57.4753 28.4587 174.0538 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 8.30 4.40 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 L 8.32 4.16 0.00 1.74 1.57 0.96 0.61 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 3 T 8.49 4.37 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 D 7.49 4.67 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.22 0.00 2.19 2.08 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 6 I 7.75 3.56 2.01 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.13 0.76 0.00 0.00 7 A 9.42 3.92 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 8 D 8.30 4.19 0.00 2.83 2.80 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 9 M 7.96 4.01 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 10 L 8.04 3.81 0.00 1.75 1.62 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.11 3.79 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 1.17 0.00 0.00 12 R 8.47 3.91 0.00 1.98 1.97 0.00 3.34 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 I 8.00 3.62 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.81 0.00 0.00 14 R 7.78 3.76 0.00 1.82 2.03 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 15 N 8.87 4.40 0.00 2.82 2.82 0.00 0.00 6.99 7.15 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 16 A 8.26 4.02 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 17 T 7.84 4.54 4.50 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 1.09 0.00 0.00 18 R 7.51 3.79 0.00 1.82 1.93 0.00 3.04 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 19 V 7.30 4.26 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 0.79 0.00 0.00 1.02 0.00 0.00 20 Y 7.24 3.28 0.00 2.98 2.53 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 21 K 7.87 4.12 0.00 1.84 1.96 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.55 7.81 22 E 8.93 4.33 0.00 2.09 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 0.00 2.58 2.43 0.00 23 S 7.92 5.54 0.00 3.26 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 24 T 7.04 4.35 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 25 D 8.72 5.45 0.00 2.62 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 26 V 8.27 4.39 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 0.70 0.00 0.00 0.86 0.00 0.00 27 P 0.00 3.48 0.00 1.77 1.73 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 28 A 8.34 4.29 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 29 S 8.37 4.49 0.00 3.98 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 30 R 8.79 3.89 0.00 1.92 2.09 0.00 3.18 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 31 F 8.36 4.40 0.00 2.98 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 32 K 8.17 3.54 0.00 1.83 1.64 0.00 1.70 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.26 7.81 33 E 8.25 3.50 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 2.15 1.91 0.00 34 E 8.31 3.88 0.00 2.01 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 2.42 2.46 0.00 35 I 7.35 3.74 1.75 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.45 0.73 0.00 0.00 36 L 7.51 3.83 0.00 1.10 1.23 0.55 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.91 4.08 0.00 2.05 2.07 0.00 3.42 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 38 I 7.64 3.73 2.04 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 1.56 1.09 0.98 0.00 0.00 39 L 8.14 4.07 0.00 1.86 1.85 0.83 0.71 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 40 A 8.68 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 41 R 8.48 3.93 0.00 1.91 2.23 0.00 3.30 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 42 E 8.95 4.11 0.00 2.14 1.85 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 2.53 2.63 0.00 43 G 8.73 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 44 F 8.69 4.80 0.00 3.16 2.99 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 45 I 7.39 4.76 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.74 0.94 0.00 0.00 46 K 8.83 3.93 0.00 2.04 1.97 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.61 7.81 47 G 7.23 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 0.00 0.00 0.00 0.00 48 Y 7.92 5.83 0.00 3.06 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 49 E 8.53 4.83 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 2.48 2.29 0.00 50 R 8.71 4.68 0.00 1.76 1.99 0.00 3.52 0.00 0.00 3.95 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 51 V 7.98 4.38 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 0.75 0.00 0.00 1.06 0.00 0.00 52 D 8.09 5.85 0.00 2.63 2.60 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 0.00 0.00 0.00 0.00 53 V 7.63 3.46 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 0.44 0.00 0.00 0.72 0.00 0.00 54 D 9.14 4.30 0.00 2.93 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 G 8.59 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 0.00 0.00 0.00 56 K 7.41 4.59 0.00 2.35 1.86 0.00 1.59 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.45 7.81 57 P 0.00 4.96 0.00 2.10 2.22 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 58 Y 8.82 5.03 0.00 2.97 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 59 L 8.45 4.89 0.00 1.53 1.61 0.82 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.04 4.11 0.00 1.68 1.20 0.00 3.20 0.00 0.00 2.91 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 61 V 8.78 4.44 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 0.94 0.00 0.00 0.96 0.00 0.00 62 Y 8.91 4.74 0.00 3.13 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 63 L 8.56 4.62 0.00 1.57 1.17 0.86 1.03 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 64 K 8.06 4.79 0.00 1.53 1.67 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.46 7.81 65 Y 8.29 4.85 0.00 3.01 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 66 G 9.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.63 0.00 2.20 2.07 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 68 R 8.38 3.98 0.00 1.79 1.87 0.00 3.12 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 69 R 8.26 4.70 0.00 1.68 1.83 0.00 3.26 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 70 Q 9.12 4.43 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 71 G 8.08 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 72 P 0.00 4.37 0.00 2.19 2.07 0.00 3.92 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 73 D 8.42 4.21 0.00 2.74 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 74 P 0.00 4.64 0.00 2.21 2.35 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 75 R 7.75 4.09 0.00 1.88 1.81 0.00 3.52 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 76 P 0.00 4.59 0.00 2.23 2.06 0.00 2.91 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 77 E 8.94 4.24 0.00 2.17 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 2.48 2.48 0.00 78 Q 8.62 4.70 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 79 V 8.27 3.93 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 0.91 0.00 0.00 0.98 0.00 0.00 80 I 7.19 4.34 1.75 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 1.30 0.91 0.66 0.00 0.00 81 H 8.44 4.29 0.00 3.08 3.43 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.74 4.01 0.00 1.85 1.31 0.00 5.72 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.12 4.42 1.55 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.83 0.71 0.00 0.00 84 R 8.05 4.52 0.00 1.81 1.56 0.00 3.26 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 85 R 8.49 3.96 0.00 1.80 1.77 0.00 3.41 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 86 I 8.18 4.06 2.01 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 1.10 0.70 0.90 0.00 0.00 87 S 7.78 4.16 0.00 4.08 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 88 K 8.38 4.70 0.00 1.73 1.63 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.60 7.81 89 P 0.00 4.08 0.00 2.03 2.01 0.00 3.76 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 2.03 2.10 0.00 90 G 8.60 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.40 3.62 0.00 1.87 2.03 0.00 3.28 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.31 0.00 92 R 7.33 4.05 0.00 1.19 1.32 0.00 3.55 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 93 V 8.50 4.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.90 0.00 0.00 94 Y 8.37 5.58 0.00 2.90 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 95 V 8.96 4.69 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 1.01 0.00 0.00 1.04 0.00 0.00 96 G 10.01 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 0.00 0.00 0.00 0.00 97 V 8.23 3.64 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 0.82 0.00 0.00 0.99 0.00 0.00 98 K 8.03 4.25 0.00 1.78 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.46 7.81 99 E 7.98 4.64 0.00 2.13 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 2.25 2.25 0.00 100 I 7.43 4.01 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.94 0.00 0.00 101 P 0.00 4.41 0.00 2.21 2.08 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 102 R 8.07 4.30 0.00 1.79 1.91 0.00 3.21 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 103 V 8.09 3.54 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 1.21 0.00 0.00 1.11 0.00 0.00 104 R 8.50 3.75 0.00 1.78 1.58 0.00 2.94 0.00 0.00 2.44 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 105 R 8.95 3.79 0.00 1.81 1.91 0.00 3.31 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 106 G 8.26 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 0.00 107 L 8.34 4.13 0.00 1.57 1.69 0.84 0.22 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 0.00 108 G 7.74 4.52 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 0.00 109 I 9.15 5.22 2.07 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 1.44 1.87 1.10 0.00 0.00 110 A 8.56 4.88 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 0.00 111 I 8.96 4.92 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 1.31 0.98 0.92 0.00 0.00 112 L 8.57 5.22 0.00 1.86 1.84 0.96 0.47 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 0.00 113 S 9.18 5.04 0.00 4.07 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 0.00 114 T 8.64 4.96 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 1.26 0.00 0.00 115 S 8.80 4.11 0.00 3.96 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 0.00 116 K 7.77 4.30 0.00 1.77 1.85 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.35 7.81 117 G 8.62 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.04 4.51 2.16 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 0.99 0.00 0.00 1.18 0.00 0.00 119 L 9.03 5.05 0.00 1.74 1.91 0.96 0.88 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 0.00 120 T 8.78 4.61 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 1.27 0.00 0.00 121 D 9.05 4.43 0.00 2.92 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 0.00 122 R 7.96 3.95 0.00 2.04 2.25 0.00 3.17 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 123 E 8.07 3.90 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 124 A 8.35 4.00 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 0.00 125 R 8.06 3.85 0.00 2.22 2.00 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 126 K 8.08 3.92 0.00 1.82 2.03 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 127 L 8.46 4.23 0.00 1.77 1.70 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.10 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 0.00 0.00 0.00 129 V 8.10 4.51 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 0.80 0.00 0.00 0.94 0.00 0.00 130 G 8.51 4.37 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 0.00 131 G 7.34 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 0.00 132 E 8.01 4.81 0.00 2.38 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 2.42 2.56 0.00 133 L 8.96 4.42 0.00 1.82 1.59 0.94 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 0.00 134 I 8.94 3.95 2.11 0.00 0.00 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 1.49 0.91 0.94 0.00 0.00 135 C 7.19 4.99 0.00 3.08 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 0.00 136 E 8.26 5.03 0.00 2.23 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 2.26 2.11 0.00 137 V 8.10 4.65 1.68 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 -0.16 0.00 0.00 0.66 0.00 0.00 138 W 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