NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 4.6433 8.3131 122.8240 59.0295 40.4327 172.3172 6 G 2.9911 7.3369 119.1699 44.2443 0.0000 172.6479 *8 K 3.9872 8.0470 130.5780 55.8360 33.8762 174.2605 *10 E 4.0528 8.4756 115.8568 55.5269 31.1231 176.0678 11 L 4.0448 8.3453 127.7431 58.4953 42.3573 178.7934 12 Q 4.0303 8.4073 119.5748 58.9616 28.8479 177.9472 13 Q 3.9200 8.2310 120.3681 59.0136 29.1118 177.4630 14 F 4.0814 8.0659 121.3771 61.8171 39.2870 177.3551 15 L 4.0373 8.2738 118.1768 57.6534 41.3934 179.3550 16 D 4.2700 8.4135 118.8913 57.2228 40.7574 178.3046 17 A 3.8908 8.1119 121.6048 55.2895 18.1152 179.2846 18 L 3.6365 7.8539 117.2609 58.1531 42.0953 178.7652 19 A 4.1298 7.8528 120.0905 55.2360 18.4690 179.5203 20 S 4.3084 8.3908 111.5226 60.6136 64.8881 175.1428 21 S 4.6622 8.2230 118.7907 54.7569 63.3672 172.3126 22 P 4.2405 0.0000 0.0000 65.7327 31.2728 179.3696 23 E 4.0411 8.2081 114.9358 58.1019 29.4373 177.3299 24 K 4.3754 7.9359 117.7921 56.2715 32.2043 176.4204 25 I 4.1524 7.9558 122.3801 60.7211 38.1310 174.8295 26 E 4.8010 8.4399 123.4724 54.0086 32.1123 177.1201 27 F 4.2320 8.7108 123.8224 61.7800 39.5170 177.2019 28 E 4.1893 8.5598 116.2537 60.0108 29.4301 179.3614 29 T 4.0447 7.3189 114.7554 66.7571 68.5317 177.9884 30 T 3.2360 7.6011 114.8315 63.6710 68.3345 176.0604 *32 A 4.0535 7.9341 125.0699 52.2538 20.3560 179.9653 33 V 3.3546 7.3294 114.9602 66.2419 31.2543 178.3418 34 I 3.9776 7.2063 119.3255 64.2216 36.7487 178.0268 35 E 3.9454 7.8127 118.7386 59.3082 29.6602 178.1479 36 D 4.4863 8.1328 117.6446 56.1532 41.1850 176.4369 37 N 4.8414 7.6748 113.3226 52.8348 40.7827 173.6794 38 Y 5.2827 7.8615 115.0507 56.4688 42.4515 174.1770 39 D 4.8444 9.3263 122.7742 53.4153 42.5590 175.3117 40 F 5.1029 8.8778 126.1006 57.2956 41.2901 174.8191 41 T 4.0432 8.5777 120.0273 59.2709 70.1599 171.0186 42 P 4.2559 0.0000 0.0000 63.3258 31.7836 175.7484 43 A 4.9123 8.6151 124.7952 49.8486 22.2453 175.3619 44 A 4.6524 8.7508 123.2805 52.1800 20.1076 176.4242 45 F 5.2135 9.0459 115.1456 55.8823 41.6921 173.3907 46 T 4.6245 8.7092 110.9727 60.5032 71.8545 173.6139 47 N 4.7568 9.3537 122.5328 54.3845 41.1541 178.0949 48 G 3.7567 8.9048 116.1346 45.5724 0.0000 171.8077 49 N 4.6311 5.7700 119.7265 53.4569 40.3304 173.5328 50 T 4.5429 7.9193 108.5014 60.6032 70.8051 173.2379 51 Q 4.7876 8.2634 120.7516 54.4419 31.2209 174.0636 52 N 4.9909 8.4827 120.7916 51.3701 41.1815 174.6219 53 D 5.0200 9.2511 123.8635 53.1109 42.8069 175.7036 54 A 4.2977 8.4581 122.4645 54.2374 18.5786 177.9753 55 N 5.2196 9.0350 116.7185 53.8380 35.7711 173.6955 56 E 4.5261 8.2038 120.5038 55.7004 30.9951 175.4488 57 N 4.5047 8.7370 122.7696 54.9777 36.7995 176.4624 58 N 4.3252 7.8325 117.7271 56.4941 38.6125 176.5751 59 G 3.7847 8.2351 106.5823 48.1820 0.0000 175.7548 60 S 4.2684 8.1152 117.6295 61.1438 63.0152 175.9529 61 C 3.6556 8.4776 121.5989 62.4933 31.3228 175.7802 62 K 3.8570 8.3581 120.1014 59.4670 31.5487 179.3297 63 I 3.4090 7.4165 119.7974 64.3232 37.0362 178.3710 64 F 4.5428 7.6450 118.3640 60.8381 38.8036 177.6632 65 A 3.7074 8.2377 120.2376 55.0505 17.9212 179.4822 66 F 3.8940 8.7046 119.7603 61.1517 39.3435 177.5409 67 G 3.8864 8.7105 105.5830 47.1469 0.0000 175.8268 68 L 3.5307 7.5810 121.0516 57.5141 41.5468 179.2667 69 L 3.9565 7.7219 117.5073 56.5135 41.5414 177.6250 70 N 4.6351 7.1671 113.4779 51.9064 39.2089 174.0558 71 A 3.5915 7.2329 119.8988 53.0009 16.6023 178.2905 72 L 4.3231 8.0730 119.9834 55.3258 42.8241 177.8832 73 D 4.7248 8.7905 121.2778 54.4376 43.0947 176.9267 74 K 3.4576 8.9083 124.7567 60.0806 31.9528 178.4821 75 E 3.8945 8.1643 118.2733 59.3090 29.4294 178.6225 76 A 4.0609 7.9881 119.3924 55.4738 18.5521 179.3366 77 T 4.1781 8.7237 114.7285 66.5005 68.5080 177.1277 78 L 4.1255 7.9539 121.0416 57.6352 41.6443 178.8480 79 A 4.2077 8.0810 120.8493 55.9264 17.9395 179.4767 80 C 4.2433 7.6584 112.6877 62.7996 28.3374 175.7394 81 F 4.7411 8.5067 118.4764 58.5467 38.8130 176.5658 82 G 4.0575 9.0075 109.0887 46.5083 0.0000 176.9553 83 R 3.8789 8.4945 119.3436 58.9716 29.9413 178.3485 84 F 4.3501 7.6459 118.0615 60.3480 38.6879 176.5991 85 Y 4.4418 8.5912 119.3886 60.4434 38.7110 177.6244 86 R 3.5612 8.0736 117.5476 58.6575 30.4238 177.4949 87 E 4.3725 8.3505 117.0179 58.2633 30.5098 178.0166 88 D 4.4556 7.9988 117.7533 57.2623 41.2474 178.4139 89 V 4.0118 7.3954 116.5596 65.1367 31.8328 178.0034 90 L 3.9594 7.7077 117.3599 57.2333 41.6857 178.3231 91 L 4.0872 7.3953 116.9986 56.6760 42.0504 177.0110 92 H 5.4969 7.7079 115.4999 51.6702 28.9664 172.0257 93 P 4.2784 0.0000 0.0000 65.4585 32.0854 178.8584 94 E 4.0203 8.2141 117.9022 58.3461 29.5945 176.4816 95 N 5.1718 7.4785 116.1527 52.2258 40.1612 174.3453 96 N 4.9605 8.1556 112.4063 52.7580 40.4936 174.0860 97 D 4.0143 8.0617 116.8678 55.6352 42.6320 176.3913 98 H 4.0462 8.7232 121.7413 56.4192 26.2948 175.4380 99 Q 4.0253 7.8677 119.7560 59.5270 29.0304 179.0306 100 N 4.4180 8.1572 116.7056 56.2815 38.3782 177.3958 101 I 3.7517 7.5598 120.5058 64.3798 37.3514 178.3524 102 R 4.1448 7.8800 117.2874 59.2292 30.2927 178.3812 103 N 4.5528 8.8086 116.8031 55.9771 38.5567 178.1768 104 F 4.6965 8.3119 122.5656 58.2578 39.2845 177.3450 *106 V 4.1407 7.7982 116.4159 62.5673 33.4002 176.2474 107 T 4.0614 8.1717 109.2282 61.5449 70.0208 176.0237 108 G 2.9958 8.4024 112.4407 45.1564 0.0000 174.5235 109 W 4.7102 8.3599 117.2061 59.9441 29.5242 177.6284 110 E 4.0189 8.7084 118.1501 59.4248 29.0854 177.9641 111 G 3.8395 8.1241 105.4545 46.4859 0.0000 172.6176 112 I 4.8523 8.0819 122.1010 60.3085 38.5533 175.4085 113 Q 4.6219 9.0322 127.5413 54.8712 32.4902 173.2237 114 F 4.8439 9.0118 125.0429 56.2637 40.2774 176.0037 115 E 4.2845 9.3221 123.0980 59.5146 29.8351 177.0272 116 T 4.6146 7.7997 110.5186 60.1636 70.5084 172.7042 117 S 3.9803 8.5424 119.7706 58.5687 62.9091 173.7681 118 A 4.9807 8.1803 128.8264 52.8570 19.9471 176.6318 119 L 5.3034 7.4621 112.4524 52.4551 45.9642 176.3221 120 T 4.7284 8.2455 113.5307 60.6419 70.8448 172.6704 121 A 4.5362 8.8133 130.5373 51.8525 19.3841 177.4135 122 K 4.1719 8.3386 119.9394 56.6847 31.7351 177.1675 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 5 F 8.31 4.64 0.00 2.92 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 6 G 7.34 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 0.00 0.00 0.00 *8 K 8.05 3.99 0.00 1.67 1.56 0.00 1.74 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.36 7.81 *10 E 8.48 4.05 0.00 2.07 1.88 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 2.26 2.31 0.00 11 L 8.35 4.04 0.00 1.79 1.65 1.28 0.73 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 12 Q 8.41 4.03 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 13 Q 8.23 3.92 0.00 2.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 14 F 8.07 4.08 0.00 3.14 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 15 L 8.27 4.04 0.00 1.81 1.75 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.41 4.27 0.00 2.87 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 17 A 8.11 3.89 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 18 L 7.85 3.64 0.00 1.31 1.71 1.02 1.36 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 19 A 7.85 4.13 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 20 S 8.39 4.31 0.00 3.97 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 21 S 8.22 4.66 0.00 3.80 3.91 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 0.00 0.00 0.00 22 P 0.00 4.24 0.00 2.28 2.37 0.00 3.82 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 23 E 8.21 4.04 0.00 2.12 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 0.00 2.29 2.29 0.00 24 K 7.94 4.38 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.40 7.81 25 I 7.96 4.15 2.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.08 1.03 0.00 0.00 26 E 8.44 4.80 0.00 2.07 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 0.00 2.31 2.52 0.00 27 F 8.71 4.23 0.00 3.50 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 28 E 8.56 4.19 0.00 1.97 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 2.66 0.00 29 T 7.32 4.04 4.59 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 1.47 0.00 0.00 30 T 7.60 3.24 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 0.60 0.00 0.00 *32 A 7.93 4.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.33 3.35 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 0.85 0.00 0.00 0.07 0.00 0.00 34 I 7.21 3.98 1.49 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.04 0.78 0.00 0.00 35 E 7.81 3.95 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 36 D 8.13 4.49 0.00 2.79 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 37 N 7.67 4.84 0.00 2.47 2.17 0.00 0.00 6.57 7.36 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 38 Y 7.86 5.28 0.00 2.95 2.88 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 39 D 9.33 4.84 0.00 2.61 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 40 F 8.88 5.10 0.00 2.96 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 41 T 8.58 4.04 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 1.14 0.00 0.00 42 P 0.00 4.26 0.00 1.89 2.25 0.00 3.38 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 43 A 8.62 4.91 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.75 4.65 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 45 F 9.05 5.21 0.00 2.29 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 0.00 0.00 0.00 46 T 8.71 4.62 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 1.16 0.00 0.00 47 N 9.35 4.76 0.00 2.67 2.55 0.00 0.00 7.58 7.83 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 48 G 8.90 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 49 N 5.77 4.63 0.00 2.74 2.80 0.00 0.00 7.19 8.18 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 50 T 7.92 4.54 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 1.16 0.00 0.00 51 Q 8.26 4.79 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.73 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 52 N 8.48 4.99 0.00 1.59 2.71 0.00 0.00 6.70 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 53 D 9.25 5.02 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 4.30 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 55 N 9.04 5.22 0.00 2.99 3.10 0.00 0.00 7.13 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 56 E 8.20 4.53 0.00 2.04 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 2.23 2.27 0.00 57 N 8.74 4.50 0.00 3.17 3.02 0.00 0.00 7.12 6.92 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 58 N 7.83 4.33 0.00 2.93 2.70 0.00 0.00 6.94 7.50 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 59 G 8.24 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 60 S 8.12 4.27 0.00 4.48 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 0.00 61 C 8.48 3.66 0.00 3.35 3.30 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 62 K 8.36 3.86 0.00 1.70 1.54 0.00 1.38 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.99 0.96 7.81 63 I 7.42 3.41 0.91 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.16 0.38 0.00 0.00 64 F 7.64 4.54 0.00 3.26 3.33 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 65 A 8.24 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.70 3.89 0.00 2.86 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 67 G 8.71 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 0.00 0.00 0.00 68 L 7.58 3.53 0.00 1.69 1.42 0.86 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.72 3.96 0.00 1.35 1.64 0.73 0.72 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 70 N 7.17 4.64 0.00 2.34 2.59 0.00 0.00 6.94 7.20 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 71 A 7.23 3.59 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 72 L 8.07 4.32 0.00 1.99 1.82 1.11 0.92 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 73 D 8.79 4.72 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.91 3.46 0.00 1.63 1.66 0.00 1.57 0.00 0.00 1.37 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.59 0.60 7.81 75 E 8.16 3.89 0.00 2.10 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 2.44 2.47 0.00 76 A 7.99 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 77 T 8.72 4.18 4.83 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 1.35 0.00 0.00 78 L 7.95 4.13 0.00 1.42 0.13 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.08 4.21 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 80 C 7.66 4.24 0.00 3.03 2.82 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 0.00 0.00 0.00 81 F 8.51 4.74 0.00 3.56 3.37 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 82 G 9.01 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 83 R 8.49 3.88 0.00 1.57 1.87 0.00 3.01 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 84 F 7.65 4.35 0.00 3.29 2.82 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 0.00 0.00 0.00 85 Y 8.59 4.44 0.00 3.11 3.34 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 86 R 8.07 3.56 0.00 1.83 1.94 0.00 3.26 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 87 E 8.35 4.37 0.00 2.02 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 2.20 2.27 0.00 88 D 8.00 4.46 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.40 4.01 2.31 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 1.13 0.00 0.00 1.11 0.00 0.00 90 L 7.71 3.96 0.00 1.60 1.50 0.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.40 4.09 0.00 1.15 1.46 0.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 92 H 7.71 5.50 0.00 3.15 3.18 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.28 0.00 2.17 2.18 0.00 3.76 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 1.98 1.97 0.00 94 E 8.21 4.02 0.00 2.10 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 2.40 2.40 0.00 95 N 7.48 5.17 0.00 2.86 2.76 0.00 0.00 6.75 7.88 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 96 N 8.16 4.96 0.00 2.63 2.75 0.00 0.00 6.78 8.06 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 97 D 8.06 4.01 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.72 4.05 0.00 3.31 3.13 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.87 4.03 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 100 N 8.16 4.42 0.00 2.92 3.29 0.00 0.00 7.18 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 0.00 101 I 7.56 3.75 1.93 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 -0.03 1.00 0.00 0.00 102 R 7.88 4.14 0.00 1.80 2.01 0.00 3.22 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.00 0.00 103 N 8.81 4.55 0.00 2.95 2.99 0.00 0.00 6.64 8.72 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 0.00 104 F 8.31 4.70 0.00 3.16 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 *106 V 7.80 4.14 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 0.86 0.00 0.00 0.98 0.00 0.00 107 T 8.17 4.06 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 1.20 0.00 0.00 108 G 8.40 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 0.00 0.00 0.00 109 W 8.36 4.71 0.00 3.50 3.30 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 0.00 110 E 8.71 4.02 0.00 1.98 2.14 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 2.37 2.34 0.00 111 G 8.12 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 0.00 0.00 0.00 112 I 8.08 4.85 2.45 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 1.25 0.00 0.00 113 Q 9.03 4.62 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 114 F 9.01 4.84 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 0.00 115 E 9.32 4.28 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 116 T 7.80 4.61 4.28 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 1.26 0.00 0.00 117 S 8.54 3.98 0.00 3.80 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 0.00 118 A 8.18 4.98 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 0.00 119 L 7.46 5.30 0.00 1.24 1.31 0.51 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.25 4.73 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 1.25 0.00 0.00 121 A 8.81 4.54 1.23 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 0.00 0.00 0.00 122 K 8.34 4.17 0.00 1.55 1.68 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.