NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Y 4.9517 8.3698 117.7313 58.3938 39.3669 172.5787 16 S 4.6018 8.2333 116.5255 56.5489 65.5282 171.9636 17 N 4.9936 8.9205 119.1447 53.0968 39.2195 175.8962 18 A 4.8150 7.8699 121.3972 52.3550 19.5088 177.0898 19 I 4.7908 8.6290 111.8774 59.3696 42.0036 174.2207 20 V 4.8398 8.6531 122.9393 61.3271 34.2814 174.2150 21 V 4.7594 9.1490 129.0860 61.5059 33.2580 174.6685 22 L 5.0707 8.9337 128.7354 54.5890 43.2587 175.3939 23 C 5.6897 9.0850 121.1691 59.3057 35.4474 172.5494 24 T 5.3295 8.6688 113.1818 59.9600 71.6051 172.7143 25 A 4.6212 8.7828 123.6239 49.3475 22.3814 175.6899 26 P 4.5195 0.0000 0.0000 65.3597 31.9844 176.3031 27 D 4.6059 7.3858 117.2617 51.2440 43.6136 176.0904 28 E 3.9081 8.6382 118.9401 59.2790 29.4120 179.2697 29 A 3.9540 7.9867 120.5917 55.4010 18.5209 179.7477 30 S 4.0449 8.7167 112.7375 61.4005 63.0478 176.5048 31 A 3.9581 7.9482 124.3834 54.9993 18.0759 179.6535 32 Q 3.9255 8.6139 116.8813 59.1181 28.8011 178.6820 33 N 4.3202 8.1880 117.4643 56.2898 38.5584 177.2014 34 L 4.0498 8.0611 121.3807 58.0525 42.1594 178.8104 35 A 4.0438 8.1862 120.4727 55.2012 18.3589 179.3663 36 A 3.9375 8.3549 119.6416 55.4441 18.4348 179.9384 37 Q 3.9085 8.1767 116.4386 59.1116 28.8117 179.0783 38 V 3.1727 7.9443 119.3062 65.9151 31.4664 178.1080 39 L 4.0353 8.2020 118.9276 57.7176 41.2503 179.6865 40 G 3.5877 7.9263 104.6725 47.6728 0.0000 174.9172 41 E 4.0435 7.8983 118.2018 55.7979 30.1760 176.6178 42 K 3.7843 8.0766 118.6493 57.6511 30.0002 176.5024 43 L 4.4168 7.9046 116.8558 54.7822 42.6779 176.8016 44 A 4.6380 7.3627 119.6754 50.6276 22.2164 175.4823 45 A 4.1720 8.6469 121.9861 53.7496 20.1688 177.7939 46 C 4.8484 7.8549 114.0490 58.0356 35.5247 173.1020 47 V 4.6502 8.3980 124.6200 61.3651 33.7195 174.3472 48 T 4.5856 8.7686 124.9244 61.7401 70.9814 173.1616 49 L 4.8721 8.4452 125.8670 53.1524 43.9998 176.5387 50 L 4.7130 8.8356 124.6500 52.1473 42.6204 174.4248 51 P 4.5486 0.0000 0.0000 62.5621 32.8640 176.4420 52 G 3.7758 8.6951 105.7881 46.2158 0.0000 173.7166 53 A 4.4738 7.9259 121.4374 51.6953 20.0865 177.3451 54 T 5.0454 8.4502 115.2463 61.8849 71.4725 173.8410 55 S 4.9286 9.3320 122.4589 56.6992 65.8653 173.0332 56 L 5.5551 8.4248 123.6303 52.4833 44.1016 175.2006 57 Y 4.7078 7.2730 117.8686 56.7507 40.7774 172.0534 58 Y 4.7827 9.0020 118.5931 56.9137 39.5714 175.1609 59 W 4.9486 8.9831 133.2613 56.5192 33.2359 174.8252 60 E 3.7947 9.2665 126.9603 57.5211 26.2598 175.8959 61 G 4.0404 8.5490 105.3166 45.2413 0.0000 173.7022 62 K 4.7414 7.7423 118.9843 54.1924 35.3926 175.2509 63 L 3.5468 8.2267 126.2915 54.6101 42.4570 175.6634 64 E 4.4321 8.4737 126.6297 54.6667 32.3906 175.4136 65 Q 4.3195 8.1674 122.5186 54.6422 31.5295 173.7915 66 E 4.7016 9.0341 125.8355 54.4395 34.0205 175.0749 67 Y 4.9850 8.4162 119.9542 58.3773 39.0841 174.6205 68 E 4.9433 9.4800 121.8355 55.3134 35.3738 173.8715 69 V 4.7215 8.8772 121.3703 61.4085 33.6700 174.1891 70 Q 4.6406 8.8946 129.9773 55.3943 30.4222 174.3577 71 L 5.1639 9.4596 127.3549 53.0594 45.0365 175.6077 72 L 5.0732 8.6390 121.4871 53.2203 45.1772 175.5255 73 F 4.9436 9.5540 124.3827 56.0026 40.8669 175.2571 74 K 4.9324 9.2444 124.9260 55.4796 33.4666 175.0798 75 S 4.4616 8.8345 122.6896 57.5316 66.2802 171.9605 76 N 5.5702 8.6407 114.1240 50.3666 40.6694 175.1782 77 T 3.9093 9.0124 109.6697 65.1424 68.2932 176.2515 78 D 4.3928 7.7063 120.1562 56.5685 41.0118 177.3947 79 H 4.7577 8.0259 113.8263 55.2023 29.2397 175.8524 80 Q 3.9306 7.6584 123.4148 59.5520 28.8989 178.3727 81 Q 3.9101 8.0359 119.5852 59.0286 29.1251 177.7465 82 A 4.0105 7.9485 121.3734 54.9947 18.4105 179.1889 83 L 3.8329 8.0975 118.8164 58.3287 42.2571 179.0789 84 L 3.9020 8.0099 118.9857 58.2021 41.6353 179.8019 85 T 3.8731 8.0463 115.5274 66.6216 68.1604 176.1125 86 Y 3.8629 7.9732 120.3410 60.7807 39.1855 177.8595 87 I 3.9179 7.9950 120.7569 64.3671 36.9954 178.1345 88 K 3.8455 7.8347 119.0268 59.6831 32.0693 178.1228 89 Q 4.1889 7.7563 115.3852 56.7880 29.3110 175.5900 90 H 4.8683 7.9334 117.4024 55.8008 29.9436 172.8161 91 H 4.9213 7.8837 117.6653 53.2752 32.8109 172.2872 92 P 4.1924 0.0000 0.0000 65.5546 31.3943 176.5062 93 Y 4.7450 7.1517 113.0855 57.0374 38.8993 175.4555 94 Q 4.1777 8.7871 123.6712 58.8609 29.5333 176.5460 95 T 4.5825 7.4651 114.2026 60.7840 68.5674 171.5096 96 P 4.5194 0.0000 0.0000 61.6102 33.0317 176.7361 97 E 3.9950 8.6245 121.2423 56.8116 30.6392 175.7102 98 L 4.6994 8.5207 126.4350 53.2750 44.4922 174.6094 99 L 4.6980 8.7857 123.8356 52.6209 44.8281 175.8233 100 V 4.3213 8.4684 124.5926 61.7660 32.4339 174.9217 101 L 4.6297 8.9237 129.6751 53.0018 43.1387 174.9498 102 P 4.5526 0.0000 0.0000 62.4064 32.8895 175.5130 103 V 4.3648 7.8298 120.6936 61.2237 33.7043 176.4505 104 R 4.4397 8.8083 124.4940 58.5869 30.1977 175.3201 105 D 4.6013 7.5172 115.2865 53.8434 43.8552 173.4269 106 G 4.0818 7.9873 109.4955 43.3850 0.0000 173.2668 107 D 4.4434 8.3491 118.9493 53.7609 42.5206 176.3909 108 K 3.8988 8.8513 127.7134 60.0066 32.2460 178.4898 109 D 4.4190 8.2307 118.4164 57.5379 40.7447 178.0180 110 Y 4.1802 8.4328 120.0078 60.8474 38.8536 178.0554 111 L 3.9484 8.3752 120.0776 57.6672 41.6011 179.4922 112 S 4.0871 8.2799 113.3296 61.0639 62.4007 176.0564 113 W 4.0235 8.1702 131.1198 60.1513 30.2166 177.7109 114 L 3.0800 7.7752 119.5658 57.9597 41.7685 178.3644 115 N 4.3137 8.3389 116.4923 56.3539 38.3085 177.3713 116 A 3.9744 7.7525 120.5440 54.8694 18.4664 179.4023 117 S 3.9365 7.1674 112.0480 59.5997 63.0751 174.6714 118 L 4.3101 6.4814 120.8641 52.9448 42.6112 176.5309 119 L 4.0536 8.0775 121.7437 55.8041 41.8962 176.9721 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 15 Y 8.37 4.95 0.00 3.00 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 16 S 8.23 4.60 0.00 4.03 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 17 N 8.92 4.99 0.00 2.80 3.10 0.00 0.00 5.88 7.30 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 18 A 7.87 4.81 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 19 I 8.63 4.79 1.87 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 1.23 0.86 0.90 0.00 0.00 20 V 8.65 4.84 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 1.00 0.00 0.00 0.97 0.00 0.00 21 V 9.15 4.76 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 0.94 0.00 0.00 22 L 8.93 5.07 0.00 1.67 1.76 0.95 0.59 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 23 C 9.08 5.69 0.00 3.17 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 24 T 8.67 5.33 4.39 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 1.36 0.00 0.00 25 A 8.78 4.62 1.10 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 26 P 0.00 4.52 0.00 2.22 2.33 0.00 3.41 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 27 D 7.39 4.61 0.00 3.04 2.78 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 28 E 8.64 3.91 0.00 2.01 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 2.37 2.35 0.00 29 A 7.99 3.95 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 30 S 8.72 4.04 0.00 3.91 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 0.00 31 A 7.95 3.96 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 32 Q 8.61 3.93 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 33 N 8.19 4.32 0.00 2.88 2.88 0.00 0.00 6.69 6.03 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 34 L 8.06 4.05 0.00 1.87 1.96 1.18 0.96 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 35 A 8.19 4.04 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 36 A 8.35 3.94 1.38 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 0.00 0.00 0.00 37 Q 8.18 3.91 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 38 V 7.94 3.17 2.44 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 1.11 0.00 0.00 1.02 0.00 0.00 39 L 8.20 4.04 0.00 1.76 1.68 0.95 0.79 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 40 G 7.93 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.90 4.04 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.59 0.00 42 K 8.08 3.78 0.00 1.86 1.81 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.48 7.81 43 L 7.90 4.42 0.00 1.46 1.61 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.36 4.64 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 45 A 8.65 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.85 4.85 0.00 3.38 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 47 V 8.40 4.65 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.85 0.00 0.00 48 T 8.77 4.59 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 1.18 0.00 0.00 49 L 8.45 4.87 0.00 1.44 1.53 0.77 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.84 4.71 0.00 1.62 1.58 0.92 0.84 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 51 P 0.00 4.55 0.00 2.04 2.04 0.00 3.84 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 1.96 1.95 0.00 52 G 8.70 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 53 A 7.93 4.47 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 54 T 8.45 5.05 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 55 S 9.33 4.93 0.00 3.88 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 56 L 8.42 5.56 0.00 1.47 1.45 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.27 4.71 0.00 3.17 3.05 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 0.00 58 Y 9.00 4.78 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.98 4.95 0.00 3.68 3.02 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 60 E 9.27 3.79 0.00 2.08 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 1.87 1.47 0.00 61 G 8.55 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 0.00 0.00 0.00 62 K 7.74 4.74 0.00 1.68 1.66 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.51 7.81 63 L 8.23 3.55 0.00 0.48 1.21 0.48 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.47 4.43 0.00 1.16 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 2.19 2.26 0.00 65 Q 8.17 4.32 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.76 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 66 E 9.03 4.70 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.44 0.00 67 Y 8.42 4.98 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.48 4.94 0.00 1.94 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 2.38 2.38 0.00 69 V 8.88 4.72 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 0.97 0.00 0.00 70 Q 8.89 4.64 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 71 L 9.46 5.16 0.00 1.82 1.24 1.05 -0.74 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 72 L 8.64 5.07 0.00 1.50 1.57 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.55 4.94 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 9.24 4.93 0.00 1.92 1.92 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.45 7.81 75 S 8.83 4.46 0.00 3.89 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.64 5.57 0.00 3.08 2.83 0.00 0.00 5.74 7.22 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 77 T 9.01 3.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 78 D 7.71 4.39 0.00 2.95 2.63 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 79 H 8.03 4.76 0.00 3.19 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.66 3.93 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 81 Q 8.04 3.91 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 82 A 7.95 4.01 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 83 L 8.10 3.83 0.00 1.91 1.87 0.70 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.01 3.90 0.00 1.84 1.68 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.05 3.87 4.43 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 1.22 0.00 0.00 86 Y 7.97 3.86 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.00 3.92 1.76 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.90 0.00 0.00 88 K 7.83 3.85 0.00 1.82 2.00 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.52 7.81 89 Q 7.76 4.19 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.19 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 90 H 7.93 4.87 0.00 3.01 3.32 0.00 5.79 0.00 0.00 0.00 0.00 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.88 4.92 0.00 3.35 3.07 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.19 0.00 2.02 2.05 0.00 3.14 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.68 0.00 93 Y 7.15 4.75 0.00 3.01 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 94 Q 8.79 4.18 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.22 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 95 T 7.47 4.58 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 1.27 0.00 0.00 96 P 0.00 4.52 0.00 1.97 1.47 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 97 E 8.62 4.00 0.00 2.07 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 2.56 2.37 0.00 98 L 8.52 4.70 0.00 1.49 1.52 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.79 4.70 0.00 1.60 1.55 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.47 4.32 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 0.77 0.00 0.00 0.92 0.00 0.00 101 L 8.92 4.63 0.00 1.65 1.52 0.93 0.75 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 0.00 102 P 0.00 4.55 0.00 0.63 1.49 0.00 3.60 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 1.66 1.74 0.00 103 V 7.83 4.36 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 1.12 0.00 0.00 0.94 0.00 0.00 104 R 8.81 4.44 0.00 2.24 2.50 0.00 3.16 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 105 D 7.52 4.60 0.00 2.65 2.58 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 0.00 0.00 0.00 106 G 7.99 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.35 4.44 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.85 3.90 0.00 1.90 1.84 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.58 7.81 109 D 8.23 4.42 0.00 3.04 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 0.00 110 Y 8.43 4.18 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.38 3.95 0.00 1.78 1.73 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.28 4.09 0.00 3.93 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 W 8.17 4.02 0.00 3.43 3.24 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 0.00 114 L 7.78 3.08 0.00 1.24 1.62 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.34 4.31 0.00 2.70 2.79 0.00 0.00 6.98 7.49 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 0.00 116 A 7.75 3.97 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 0.00 117 S 7.17 3.94 0.00 3.35 3.43 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 0.00 118 L 6.48 4.31 0.00 1.33 0.94 0.78 1.19 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 0.00 119 L 8.08 4.05 0.00 1.67 1.63 0.90 0.72 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