NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5246 8.1749 117.3746 63.7245 70.1402 172.9198 2 T 4.6662 9.3328 121.4335 60.3618 72.4178 171.5408 3 T 5.2327 8.4258 116.0294 60.0861 72.7304 172.5466 4 L 4.9378 8.9445 122.7519 54.9129 44.7290 174.5967 5 A 5.1379 8.2979 119.4374 51.0951 22.0475 175.7061 6 F 5.0405 8.5152 116.8968 55.2089 41.8730 173.6536 7 R 5.1560 8.7269 120.7189 55.6745 31.7369 175.0303 8 F 4.8460 9.2730 118.6807 56.0515 41.1013 174.3445 9 Q 3.7185 9.1048 121.4851 59.3736 28.4038 177.7455 10 G 3.5344 5.5475 102.8669 45.1136 0.0000 172.3709 11 G 4.1501 6.3404 108.0293 44.0345 0.0000 176.7260 12 I 5.1426 8.5596 123.9512 59.2810 40.7833 173.0928 13 I 4.2638 7.8777 126.9353 59.4333 39.3699 174.8275 14 V 4.8325 8.1993 125.3331 61.0485 34.1367 174.3694 15 A 4.8412 8.7576 128.2474 50.4665 22.5193 175.0504 16 V 4.9878 8.2665 113.3073 60.0838 36.3690 174.8226 17 D 4.9058 8.2848 122.2756 52.6634 41.7883 176.5486 18 S 4.8010 8.1480 112.5188 58.4277 63.6982 173.0947 19 R 5.0338 8.4003 120.3546 55.8759 31.6670 175.0367 20 A 4.8907 9.1589 127.5545 50.3087 21.6840 175.1302 21 T 5.0421 8.6025 111.6242 59.9806 72.1003 174.2019 22 A 4.5545 8.9525 125.4585 51.2064 20.7570 176.9606 23 G 4.2488 8.3435 114.0086 47.0898 0.0000 173.8172 24 N 4.6786 8.7822 121.5946 52.9332 39.3538 174.7361 25 W 4.3630 7.9016 129.4353 57.0338 31.1666 175.1658 26 V 4.0137 7.4193 125.8065 61.1564 30.2205 175.0855 27 A 3.8004 8.3337 132.2250 54.8174 18.7858 177.4597 28 S 4.4720 7.1948 106.9308 57.9023 64.9625 174.7962 29 Q 4.6064 8.6026 122.3057 55.8196 29.8527 175.5728 30 T 4.7527 7.8267 108.3889 61.1559 68.1143 174.2403 31 V 4.1734 7.9590 120.9393 62.9671 33.3013 175.4265 32 K 4.3632 8.5130 125.8026 55.6238 32.9888 176.6747 33 K 4.6014 8.7715 122.4845 55.8813 34.1057 175.2016 34 V 4.8598 7.7232 120.0897 61.1209 34.0810 174.4965 35 I 4.3861 9.1114 129.1477 59.8847 39.4802 175.0649 36 E 4.4980 8.7570 127.0088 54.8582 28.0990 176.0590 37 I 3.7925 8.1307 125.1037 63.5160 37.8578 175.9517 38 N 4.7876 7.6417 113.9089 51.3289 39.5539 172.9628 39 P 4.1670 0.0000 0.0000 64.5842 31.2017 177.1226 40 F 4.8230 9.8753 116.3861 56.6573 40.9315 174.4429 41 L 5.3222 8.2376 120.9606 52.7732 44.9636 175.5775 42 L 5.1310 9.1203 122.9195 52.9060 45.5894 175.7333 43 G 4.6210 9.3009 108.4632 43.5630 0.0000 171.7552 44 T 5.1104 8.6090 114.2536 60.4700 71.0371 174.0465 45 M 4.8663 9.1011 122.9421 53.6673 34.4457 175.0891 46 A 4.6839 8.8527 125.0086 50.1806 23.1347 174.8493 47 G 4.1777 9.2802 106.8845 44.3283 0.0000 176.9581 48 G 3.7919 9.6822 117.8760 44.2451 0.0000 173.7122 49 A 3.9566 8.9166 127.4292 55.2151 18.4573 179.0385 50 A 3.9362 7.9758 118.5621 55.4993 18.5196 179.2427 51 D 4.4056 8.1172 116.7164 57.8461 40.8908 178.8916 52 C 4.2216 8.3291 116.9835 62.9114 28.3569 175.7039 53 Q 3.9829 8.4541 121.5465 59.3285 28.6052 178.3390 54 F 3.8044 8.5372 121.6820 61.2631 39.4329 177.2714 55 W 4.6222 8.2339 118.3020 59.5442 28.4685 178.4721 56 E 4.2181 8.7298 119.1493 59.4551 28.8968 179.2506 57 T 3.9220 7.9055 115.6510 66.1472 68.4768 176.6402 58 W 4.0216 8.2330 130.4648 60.2216 30.6619 177.5616 59 L 3.7827 8.5695 120.7387 58.1556 41.4735 179.0444 60 G 3.6940 7.9027 105.3478 48.2527 0.0000 175.7741 61 S 4.0979 7.6346 117.3204 61.2469 62.8180 176.8909 62 Q 3.7837 7.5606 120.8050 58.7235 28.3310 178.4497 63 C 4.0535 8.1328 118.1130 62.6603 28.2296 175.8776 64 R 3.8792 7.8944 120.2591 59.6527 29.6504 178.4701 65 L 3.9808 7.7649 118.3804 57.9116 41.5425 179.1370 66 H 4.0469 8.0250 118.0103 59.4580 29.7858 177.3531 67 E 4.4989 8.2382 121.4538 58.6071 28.9451 179.4175 68 L 4.0144 7.6205 118.6807 57.5533 41.8161 179.0036 69 R 4.0390 7.8122 117.7893 58.6932 30.1743 177.4388 70 E 4.3758 8.3431 115.0873 54.6804 30.4475 175.8688 71 K 3.9218 7.7725 117.7682 56.3616 30.2733 174.3642 72 E 4.6017 7.4871 115.5393 54.6696 32.6867 173.9071 73 R 4.1447 8.4599 125.8146 56.4116 30.5947 176.0409 74 I 3.8320 8.3616 125.9737 60.5881 38.7642 176.2990 75 S 4.4138 8.2575 121.6496 58.0077 65.2649 175.6185 76 V 3.5500 8.2931 122.2321 65.8866 31.3383 178.2096 77 A 3.9500 7.9725 119.9558 55.2446 18.4073 179.3242 78 A 3.9219 8.0760 118.9365 55.2067 18.3002 179.7484 79 A 3.9441 8.3283 119.9113 55.2495 18.3867 180.0399 80 S 4.1088 8.2928 112.9742 61.4824 63.0571 176.6136 81 K 4.0407 8.2174 122.9779 58.7468 31.9192 179.0437 82 I 3.7819 7.6297 120.1232 64.1812 36.9664 178.0388 83 L 4.1741 7.7825 121.2576 58.2441 42.0076 178.6016 84 S 4.1195 8.4043 113.4908 61.9014 62.0818 176.1470 85 N 4.4635 8.4657 117.7337 55.8593 38.4761 177.1253 86 L 4.0142 7.9598 121.9541 58.1807 42.2588 179.0199 87 V 3.3695 7.8120 118.3594 66.2845 31.3492 177.3601 88 Y 4.1443 8.2783 118.9443 60.5674 38.3417 177.9411 89 Q 3.9045 7.8988 118.4088 58.1631 29.0628 177.0245 90 Y 4.3431 7.7076 115.9483 55.9981 38.1533 175.0424 91 K 3.8271 6.7875 121.6805 58.5593 32.3514 176.4043 92 G 3.9793 9.0201 114.5177 45.4252 0.0000 174.1165 93 A 4.0340 8.1376 122.1000 53.5315 18.5824 178.2948 94 G 4.2052 8.4095 103.2232 45.3683 0.0000 174.0143 95 L 4.1434 7.7798 119.0905 54.6923 42.2231 176.8394 96 S 4.7090 9.3272 117.1001 57.0639 64.7007 172.3286 97 M 5.1982 8.5081 123.3012 53.9577 34.0828 174.2269 98 G 4.2047 9.3252 110.1712 44.7373 0.0000 171.7186 99 T 5.1323 8.5469 119.1413 60.6605 71.3704 172.4931 100 M 4.7783 9.0794 125.8528 53.6119 35.0627 174.6482 101 I 4.8646 8.4854 124.6337 59.9685 38.9607 174.8131 102 C 4.9291 9.2694 125.4524 58.0200 31.3956 173.6048 103 G 4.4730 8.3982 108.5434 45.8057 0.0000 172.1359 104 Y 4.8729 8.2735 122.7936 55.9455 40.5364 175.3071 105 T 4.2396 8.5845 115.3564 61.5271 69.1280 174.6350 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 T 8.17 4.52 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 1.22 0.00 0.00 2 T 9.33 4.67 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 1.22 0.00 0.00 3 T 8.43 5.23 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 1.22 0.00 0.00 4 L 8.94 4.94 0.00 1.73 1.80 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.30 5.14 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 6 F 8.52 5.04 0.00 3.10 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 7 R 8.73 5.16 0.00 1.93 1.94 0.00 3.22 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 8 F 9.27 4.85 0.00 3.36 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 9 Q 9.10 3.72 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 10 G 5.55 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 0.00 0.00 0.00 11 G 6.34 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 12 I 8.56 5.14 1.89 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 1.32 0.66 0.92 0.00 0.00 13 I 7.88 4.26 0.56 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.45 0.67 0.00 0.00 14 V 8.20 4.83 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 0.78 0.00 0.00 0.89 0.00 0.00 15 A 8.76 4.84 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 16 V 8.27 4.99 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 0.77 0.00 0.00 0.93 0.00 0.00 17 D 8.28 4.91 0.00 2.77 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 18 S 8.15 4.80 0.00 4.05 4.01 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 19 R 8.40 5.03 0.00 1.81 1.95 0.00 3.15 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 20 A 9.16 4.89 1.17 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 0.00 0.00 0.00 0.00 0.00 21 T 8.60 5.04 4.29 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 1.14 0.00 0.00 22 A 8.95 4.55 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 23 G 8.34 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 24 N 8.78 4.68 0.00 2.81 2.93 0.00 0.00 6.71 7.68 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 25 W 7.90 4.36 0.00 3.36 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 26 V 7.42 4.01 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.78 0.00 0.00 27 A 8.33 3.80 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 28 S 7.19 4.47 0.00 3.77 3.60 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 29 Q 8.60 4.61 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.29 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 30 T 7.83 4.75 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 1.19 0.00 0.00 31 V 7.96 4.17 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 0.77 0.00 0.00 0.92 0.00 0.00 32 K 8.51 4.36 0.00 1.66 1.73 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.52 7.81 33 K 8.77 4.60 0.00 1.68 1.78 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 34 V 7.72 4.86 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 0.87 0.00 0.00 0.93 0.00 0.00 35 I 9.11 4.39 2.10 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 1.26 0.95 0.96 0.00 0.00 36 E 8.76 4.50 0.00 1.84 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 0.00 2.25 2.32 0.00 37 I 8.13 3.79 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.37 0.92 0.00 0.00 38 N 7.64 4.79 0.00 2.96 2.94 0.00 0.00 6.11 7.76 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 39 P 0.00 4.17 0.00 1.46 1.79 0.00 3.64 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 1.94 2.01 0.00 40 F 9.88 4.82 0.00 2.99 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 41 L 8.24 5.32 0.00 1.65 1.56 0.95 0.44 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 42 L 9.12 5.13 0.00 1.56 1.53 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.30 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.61 5.11 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 1.22 0.00 0.00 45 M 9.10 4.87 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.67 0.00 46 A 8.85 4.68 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 47 G 9.28 4.18 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 0.00 48 G 9.68 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 0.00 0.00 0.00 49 A 8.92 3.96 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 50 A 7.98 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 51 D 8.12 4.41 0.00 2.94 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 52 C 8.33 4.22 0.00 3.03 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 53 Q 8.45 3.98 0.00 2.42 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 54 F 8.54 3.80 0.00 3.02 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 55 W 8.23 4.62 0.00 3.68 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 56 E 8.73 4.22 0.00 2.27 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 2.44 2.49 0.00 57 T 7.91 3.92 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 1.14 0.00 0.00 58 W 8.23 4.02 0.00 3.10 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 3.78 0.00 2.14 2.02 0.96 1.22 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 60 G 7.90 3.69 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 0.00 0.00 0.00 61 S 7.63 4.10 0.00 3.77 3.80 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 62 Q 7.56 3.78 0.00 1.72 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 63 C 8.13 4.05 0.00 3.07 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 64 R 7.89 3.88 0.00 1.91 2.06 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 65 L 7.76 3.98 0.00 2.01 1.66 0.90 0.95 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 66 H 8.03 4.05 0.00 3.33 3.50 0.00 5.78 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 67 E 8.24 4.50 0.00 2.18 1.98 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 2.57 2.46 0.00 68 L 7.62 4.01 0.00 1.79 1.70 0.91 0.90 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 69 R 7.81 4.04 0.00 1.99 1.88 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 70 E 8.34 4.38 0.00 1.74 1.86 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 2.13 2.19 0.00 71 K 7.77 3.92 0.00 1.72 1.79 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 72 E 7.49 4.60 0.00 1.92 1.77 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 2.26 2.23 0.00 73 R 8.46 4.14 0.00 1.59 1.68 0.00 2.42 0.00 0.00 2.79 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.00 74 I 8.36 3.83 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.90 0.00 0.00 75 S 8.26 4.41 0.00 4.08 3.95 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 76 V 8.29 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 1.05 0.00 0.00 0.99 0.00 0.00 77 A 7.97 3.95 1.32 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 0.00 0.00 78 A 8.08 3.92 1.27 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 0.00 0.00 79 A 8.33 3.94 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 80 S 8.29 4.11 0.00 4.09 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 0.00 81 K 8.22 4.04 0.00 2.05 1.85 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.47 7.81 82 I 7.63 3.78 2.07 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 1.42 0.88 0.90 0.00 0.00 83 L 7.78 4.17 0.00 1.88 1.92 1.14 0.95 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 84 S 8.40 4.12 0.00 4.02 4.02 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 85 N 8.47 4.46 0.00 2.86 2.94 0.00 0.00 7.07 7.63 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 86 L 7.96 4.01 0.00 1.89 1.70 -1.03 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.81 3.37 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 0.96 0.00 0.00 0.76 0.00 0.00 88 Y 8.28 4.14 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 7.90 3.90 0.00 2.16 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 90 Y 7.71 4.34 0.00 2.96 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 91 K 6.79 3.83 0.00 1.48 1.41 0.00 1.83 0.00 0.00 1.54 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 92 G 9.02 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 0.00 0.00 0.00 93 A 8.14 4.03 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 94 G 8.41 4.21 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 0.00 95 L 7.78 4.14 0.00 1.62 1.59 0.54 0.74 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 96 S 9.33 4.71 0.00 3.84 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 97 M 8.51 5.20 0.00 2.08 2.04 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 2.51 2.57 0.00 98 G 9.33 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 0.00 0.00 0.00 0.00 99 T 8.55 5.13 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 0.00 100 M 9.08 4.78 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 101 I 8.49 4.86 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.95 0.00 0.00 102 C 9.27 4.93 0.00 2.80 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 0.00 103 G 8.40 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.27 4.87 0.00 3.02 2.76 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 0.00 105 T 8.58 4.24 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 1.21 0.00 0.00