NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6664 8.4444 117.8363 55.8446 30.1235 172.0668 1 M 4.3368 8.4633 123.2334 52.5885 33.2948 170.1800 2 V 4.0224 9.1890 128.4142 63.3410 34.0811 174.1489 3 T 5.0339 8.7771 123.7704 61.6092 72.1098 172.5839 4 L 4.7491 8.9816 128.5204 53.6582 44.1270 174.8634 5 Y 5.4228 9.0890 126.5419 57.5458 38.5023 175.3778 6 T 4.9222 9.0782 115.5027 60.2775 72.0594 173.4996 7 S 5.0481 8.3638 116.5291 55.9438 67.0519 172.6757 8 P 4.3342 0.0000 0.0000 63.6779 32.1335 175.9814 9 S 3.5465 8.4293 113.3664 60.1364 60.4634 175.0498 10 C 4.8263 7.5942 118.6207 54.5215 47.0513 172.7265 11 T 3.7948 8.4149 126.0666 66.7825 68.2292 176.5866 12 S 4.0758 8.0370 115.5122 61.6273 62.9738 177.1155 13 C 4.3333 8.0819 119.6491 59.8892 40.9002 176.0669 14 R 3.8323 7.9551 119.7091 59.0847 29.5536 179.2833 15 K 3.6789 8.0259 118.2143 59.1171 31.7808 179.3222 16 A 4.0579 7.7214 121.0844 54.9866 18.2825 179.6072 17 R 3.5837 8.0505 117.0255 59.4929 30.1670 178.5292 18 A 3.9913 8.1325 120.6405 54.8587 18.3877 179.3162 19 W 4.0389 8.3865 126.8557 60.7139 30.8100 178.1078 20 L 3.9579 8.3446 119.0736 57.8747 40.9862 179.5086 21 E 4.0792 8.3518 118.4604 59.5907 29.2509 179.2926 22 E 3.9442 8.3546 117.6942 58.8616 29.4251 178.1322 23 H 4.4168 7.3824 113.7241 53.9839 29.3252 174.5329 24 E 3.7794 7.7541 118.8460 57.2514 27.5776 175.0393 25 I 4.2558 7.7056 118.7219 59.4726 38.1559 174.8681 26 P 4.5107 0.0000 0.0000 62.8365 31.8449 175.3827 27 F 5.0475 7.9210 114.7588 56.4528 40.3021 173.2704 28 V 4.3870 8.7149 113.0172 59.5554 34.8713 174.4597 29 E 5.3537 8.5241 122.5715 54.8432 33.0835 175.0432 30 R 4.6370 8.8786 124.3166 55.2276 34.3299 173.1581 31 N 5.3736 9.1993 125.7486 51.9173 39.3381 175.5041 32 I 3.8653 8.9594 120.8040 62.5592 37.8455 177.3451 33 F 4.3328 8.5829 119.2036 58.1508 39.6834 176.7835 34 S 4.5923 8.1577 115.3921 59.4750 63.6475 173.9979 35 E 4.5515 8.0787 119.3475 52.5524 29.6147 172.2734 36 P 4.2591 0.0000 0.0000 61.6787 32.1574 176.4660 37 L 4.0650 8.0806 123.1380 54.6255 42.2936 177.8398 38 S 4.5042 8.9058 118.9665 57.1936 65.7789 175.5311 39 I 3.6141 8.0979 121.9311 64.8011 36.7805 178.4095 40 D 4.2513 7.9397 119.0197 57.3730 40.5667 178.5564 41 E 4.0222 8.0775 118.9090 59.3307 29.4015 179.5040 42 I 3.6767 7.6624 120.1033 64.0291 37.0401 178.2353 43 K 3.4284 7.5770 120.4970 59.4612 31.9203 178.8571 44 Q 3.9758 8.0789 118.2873 58.8227 28.3538 178.7977 45 I 3.7331 7.2879 120.1316 64.4152 37.5317 177.9203 46 L 4.1339 7.8870 121.1011 58.1542 41.6889 178.8925 47 R 3.9715 8.1246 118.1382 59.5207 30.0915 177.6973 48 M 4.3329 7.6369 115.8183 55.5898 32.3413 176.5370 49 T 4.4086 7.2246 109.8881 61.3381 70.1359 174.1250 50 E 4.3886 9.1267 120.2662 57.5373 30.7193 177.0220 51 D 4.7557 9.3951 115.6788 53.7582 42.2365 176.8654 52 G 3.9124 7.8432 106.7597 44.3700 0.0000 174.4523 53 T 3.9458 8.6163 107.9792 65.0648 68.3271 175.8108 54 D 4.4004 8.1068 120.5171 57.3078 40.8584 178.0887 55 E 4.1479 8.0978 118.4404 58.2338 29.6758 177.4098 56 I 4.4711 7.7356 110.4658 60.5659 39.9245 175.5798 57 I 4.4601 7.7171 124.2818 60.8824 38.4369 176.0898 58 S 4.5466 9.3667 123.3725 57.0533 61.4222 174.5474 59 T 2.5613 8.1646 118.4947 63.4546 68.9062 176.7221 60 R 4.2830 7.6233 119.1635 56.7773 30.2163 182.8307 61 S 4.4979 7.8170 115.2553 59.5349 64.9274 175.9673 62 K 4.2216 8.6785 128.9621 60.1350 31.5331 179.9639 63 V 3.8447 7.8426 120.0337 64.5697 31.1992 178.1465 64 F 4.0249 8.2656 120.9608 61.2179 39.0279 177.1886 65 Q 4.0744 7.9396 116.3608 58.9242 28.5736 178.5856 66 K 4.1237 8.0753 118.8203 59.3888 32.1645 179.2080 67 L 3.9101 7.8965 118.5008 55.3668 42.6696 176.7765 68 N 3.8784 7.1485 116.1037 54.7117 37.6216 173.6708 69 V 4.2356 6.7341 109.9753 59.5148 34.6646 176.4142 70 N 4.6107 8.2849 122.0382 52.0681 37.9943 175.5300 71 V 3.7233 8.3631 126.4053 65.7878 32.0383 178.0157 72 E 3.9961 8.3540 118.2895 59.2350 29.3178 177.9456 73 S 4.4386 7.5742 109.6480 58.8577 63.7809 174.1914 74 M 4.3664 7.4186 118.9017 53.6031 32.3935 174.4591 75 P 4.2993 0.0000 0.0000 62.3319 32.4972 177.2375 76 L 3.6908 8.5920 123.7812 58.5958 41.7439 179.5562 77 Q 3.7148 7.7628 117.0864 58.8327 28.5531 178.3322 78 D 4.3791 7.9117 120.1337 56.8901 40.7666 178.4651 79 L 3.9398 7.5351 120.6733 58.2628 42.0680 178.3563 80 Y 4.4074 7.6210 116.6827 61.3082 37.7784 178.9476 81 R 3.9536 7.9437 118.9561 59.0619 30.1648 178.7754 82 L 4.0155 8.1993 120.3317 58.3863 41.9606 179.2232 83 I 3.8023 8.0912 119.8364 64.2240 36.8068 177.7719 84 N 4.2971 8.2727 117.4249 56.8154 38.8368 176.2990 85 E 4.2407 8.1734 118.3046 57.5795 31.3156 176.6768 86 H 4.9827 8.0494 115.4904 53.0172 29.3681 172.2091 87 P 4.3495 0.0000 0.0000 64.2673 31.7581 178.9921 88 G 4.0364 8.2780 105.9007 47.5652 0.0000 174.6302 89 L 4.2318 8.2549 120.4374 57.2278 41.9201 177.0544 90 L 4.8279 7.6991 118.5717 54.1413 42.2458 177.5778 91 R 4.4012 8.7759 122.5084 56.5629 31.0168 176.1375 92 R 4.8823 8.2489 115.9579 54.2416 33.4548 173.0333 93 P 5.0677 0.0000 0.0000 62.4043 34.3220 174.1076 94 I 4.9801 8.3069 119.6009 59.6289 40.1870 175.0632 95 I 4.8055 8.8748 128.1888 59.4728 39.6627 174.5649 96 I 5.1917 8.6286 126.7809 60.2616 41.9521 173.4712 97 D 5.0576 8.2615 125.0342 53.1409 41.9164 174.6894 98 E 4.2149 8.9676 116.6652 57.5741 29.9728 177.4486 99 K 4.1309 8.3544 120.6462 57.7950 33.2211 176.2357 100 R 4.6015 7.6088 112.5856 54.6894 32.2267 172.7977 101 L 5.2790 8.1437 119.6195 53.3349 45.1913 175.0903 102 Q 4.6040 9.5068 126.9452 54.2575 32.2077 173.7542 103 V 4.6168 8.6569 126.2337 62.3024 33.3944 176.3396 104 G 4.1737 9.3369 113.7961 45.4345 0.0000 171.4404 105 Y 4.4185 8.2037 119.5331 55.8577 39.7825 174.8871 106 N 4.4457 7.6142 124.4401 50.8454 41.6765 173.9647 107 E 3.3316 8.3076 129.0268 59.0078 29.7353 177.9986 108 D 4.4424 7.8023 118.1522 56.9983 41.4346 178.4494 109 E 3.8400 8.2840 119.0362 59.2404 29.3936 179.1855 110 I 3.6805 7.5049 118.3633 63.3002 37.9008 177.5894 111 R 4.3462 7.3646 118.4690 58.1459 29.6111 178.3938 112 R 3.9867 7.4728 117.2069 58.1451 30.0979 177.7333 113 F 4.4723 8.0766 116.1612 57.2549 39.6929 175.9875 114 L 4.3265 7.5912 119.8180 53.8607 42.0245 175.2348 115 P 4.6529 0.0000 0.0000 61.7664 32.5268 175.9261 116 R 4.1024 8.3168 118.0985 55.8147 30.4943 176.2376 117 K 4.5252 8.3226 123.1502 54.0430 34.6043 175.8267 118 V 3.7743 8.5145 124.4865 63.3415 31.3684 175.3659 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 0 H 8.44 4.67 0.00 3.24 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.46 4.34 0.00 2.04 1.99 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 2.66 0.00 2 V 9.19 4.02 2.33 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 0.71 0.00 0.00 1.11 0.00 0.00 3 T 8.78 5.03 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 0.99 0.00 0.00 4 L 8.98 4.75 0.00 1.64 1.69 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 9.09 5.42 0.00 3.06 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 6 T 9.08 4.92 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 1.30 0.00 0.00 7 S 8.36 5.05 0.00 3.81 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 8 P 0.00 4.33 0.00 2.10 2.03 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 9 S 8.43 3.55 0.00 3.94 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 10 C 7.59 4.83 0.00 2.95 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 11 T 8.41 3.79 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 1.18 0.00 0.00 12 S 8.04 4.08 0.00 4.12 4.17 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 13 C 8.08 4.33 0.00 3.15 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 14 R 7.96 3.83 0.00 1.97 1.94 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 15 K 8.03 3.68 0.00 1.05 0.74 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.23 1.46 7.81 16 A 7.72 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 3.58 0.00 1.92 2.10 0.00 3.17 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 1.91 0.00 18 A 8.13 3.99 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 19 W 8.39 4.04 0.00 3.70 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 20 L 8.34 3.96 0.00 1.19 1.17 0.10 1.17 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 21 E 8.35 4.08 0.00 2.18 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 2.68 2.82 0.00 22 E 8.35 3.94 0.00 1.82 1.74 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 2.27 2.37 0.00 23 H 7.38 4.42 0.00 2.34 2.84 0.00 5.80 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.75 3.78 0.00 2.05 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 2.22 2.19 0.00 25 I 7.71 4.26 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.89 1.04 0.00 0.00 26 P 0.00 4.51 0.00 2.10 2.01 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 27 F 7.92 5.05 0.00 3.06 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 28 V 8.71 4.39 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 0.68 0.00 0.00 0.95 0.00 0.00 29 E 8.52 5.35 0.00 2.20 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 2.27 2.41 0.00 30 R 8.88 4.64 0.00 2.03 1.98 0.00 3.24 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 31 N 9.20 5.37 0.00 2.89 2.75 0.00 0.00 7.44 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 32 I 8.96 3.87 1.53 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.28 0.61 0.00 0.00 33 F 8.58 4.33 0.00 3.22 3.18 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 34 S 8.16 4.59 0.00 4.00 3.94 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 35 E 8.08 4.55 0.00 1.87 1.83 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 2.23 2.25 0.00 36 P 0.00 4.26 0.00 1.95 1.91 0.00 3.69 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 37 L 8.08 4.06 0.00 1.42 1.40 0.52 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.91 4.50 0.00 3.99 3.96 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 39 I 8.10 3.61 1.85 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 1.64 1.16 0.94 0.00 0.00 40 D 7.94 4.25 0.00 2.64 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 41 E 8.08 4.02 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 2.36 2.33 0.00 42 I 7.66 3.68 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.90 0.00 0.00 43 K 7.58 3.43 0.00 1.07 1.74 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 44 Q 8.08 3.98 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 45 I 7.29 3.73 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.79 0.98 0.00 0.00 46 L 7.89 4.13 0.00 1.89 1.89 0.99 1.13 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 47 R 8.12 3.97 0.00 1.91 2.14 0.00 3.32 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 48 M 7.64 4.33 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.86 0.00 49 T 7.22 4.41 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 1.27 0.00 0.00 50 E 9.13 4.39 0.00 2.10 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 2.21 2.22 0.00 51 D 9.40 4.76 0.00 2.60 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 52 G 7.84 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 0.00 0.00 0.00 53 T 8.62 3.95 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 1.25 0.00 0.00 54 D 8.11 4.40 0.00 2.66 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 55 E 8.10 4.15 0.00 2.14 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 2.34 2.31 0.00 56 I 7.74 4.47 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.30 0.95 0.00 0.00 57 I 7.72 4.46 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 0.86 0.00 0.00 58 S 9.37 4.55 0.00 3.86 3.87 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 0.00 0.00 0.00 59 T 8.16 2.56 3.61 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 0.56 0.00 0.00 60 R 7.62 4.28 0.00 1.85 1.87 0.00 3.27 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 61 S 7.82 4.50 0.00 4.16 4.07 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 62 K 8.68 4.22 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.07 7.81 63 V 7.84 3.84 2.15 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 0.89 0.00 0.00 0.94 0.00 0.00 64 F 8.27 4.02 0.00 3.25 3.26 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 65 Q 7.94 4.07 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.57 2.82 0.00 66 K 8.08 4.12 0.00 1.82 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.74 7.81 67 L 7.90 3.91 0.00 1.38 1.56 0.76 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.15 3.88 0.00 2.63 2.69 0.00 0.00 7.06 7.59 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 69 V 6.73 4.24 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 0.72 0.00 0.00 0.73 0.00 0.00 70 N 8.28 4.61 0.00 2.78 2.71 0.00 0.00 6.73 7.71 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 71 V 8.36 3.72 2.21 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 1.00 0.00 0.00 1.12 0.00 0.00 72 E 8.35 4.00 0.00 2.01 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 2.35 2.27 0.00 73 S 7.57 4.44 0.00 4.01 3.97 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 0.00 0.00 0.00 74 M 7.42 4.37 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.77 0.00 75 P 0.00 4.30 0.00 2.14 1.96 0.00 3.69 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 2.18 2.04 0.00 76 L 8.59 3.69 0.00 1.60 1.47 0.77 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.76 3.71 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 78 D 7.91 4.38 0.00 2.89 2.68 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 79 L 7.54 3.94 0.00 1.68 1.68 0.97 0.99 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 80 Y 7.62 4.41 0.00 3.21 2.85 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 0.00 0.00 0.00 81 R 7.94 3.95 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 82 L 8.20 4.02 0.00 1.89 1.87 0.95 1.18 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 83 I 8.09 3.80 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.92 0.00 0.00 84 N 8.27 4.30 0.00 2.79 3.07 0.00 0.00 7.27 8.25 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 85 E 8.17 4.24 0.00 1.87 1.81 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 2.28 2.47 0.00 86 H 8.05 4.98 0.00 3.28 3.22 0.00 5.63 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 87 P 0.00 4.35 0.00 1.37 1.74 0.00 3.84 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 1.51 1.91 0.00 88 G 8.28 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 89 L 8.25 4.23 0.00 1.90 1.85 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.70 4.83 0.00 1.69 1.64 0.89 0.85 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 91 R 8.78 4.40 0.00 1.70 1.89 0.00 3.33 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 92 R 8.25 4.88 0.00 1.90 2.04 0.00 3.03 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 93 P 0.00 5.07 0.00 2.17 2.29 0.00 3.68 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 2.10 2.03 0.00 94 I 8.31 4.98 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 1.01 0.00 0.00 95 I 8.87 4.81 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.70 0.16 0.00 0.00 96 I 8.63 5.19 1.83 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 1.27 1.29 0.55 0.00 0.00 97 D 8.26 5.06 0.00 2.78 2.85 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 0.00 0.00 0.00 98 E 8.97 4.21 0.00 2.02 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 2.34 2.27 0.00 99 K 8.35 4.13 0.00 1.38 1.88 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.30 7.81 100 R 7.61 4.60 0.00 1.74 1.75 0.00 2.21 0.00 0.00 2.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.21 0.00 101 L 8.14 5.28 0.00 1.62 1.53 1.02 0.65 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 0.00 102 Q 9.51 4.60 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 103 V 8.66 4.62 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 0.87 0.00 0.00 0.95 0.00 0.00 104 G 9.34 4.17 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 0.00 105 Y 8.20 4.42 0.00 2.99 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 0.00 106 N 7.61 4.45 0.00 2.55 2.35 0.00 0.00 6.80 7.65 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 0.00 107 E 8.31 3.33 0.00 1.84 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 2.35 2.52 0.00 108 D 7.80 4.44 0.00 2.77 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 0.00 109 E 8.28 3.84 0.00 1.82 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 2.22 2.35 0.00 110 I 7.50 3.68 1.35 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 1.07 -0.64 0.00 0.00 111 R 7.36 4.35 0.00 1.91 2.09 0.00 3.30 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 1.83 1.83 0.00 112 R 7.47 3.99 0.00 1.48 1.71 0.00 3.04 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 113 F 8.08 4.47 0.00 3.34 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 7.59 4.33 0.00 1.86 1.70 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.65 0.00 2.21 2.11 0.00 3.82 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 2.02 0.00 116 R 8.32 4.10 0.00 1.84 1.92 0.00 3.15 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 117 K 8.32 4.53 0.00 1.66 1.67 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.44 7.81 118 V 8.51 3.77 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 0.81 0.00 0.00 0.94 0.00 0.00