NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3856 8.1927 116.7851 58.1852 64.5262 174.3987 2 I 3.1607 8.0823 125.2518 63.4806 37.9485 176.1237 3 Q 4.1299 8.1670 119.4357 57.9110 29.5977 176.6801 4 A 4.1400 7.5293 120.3546 53.8709 19.3074 177.9381 5 E 3.6241 7.7612 117.3983 55.7861 29.5554 178.0643 6 E 3.9130 8.4567 122.3410 58.4860 29.9403 177.6233 7 W 4.5231 7.3349 115.0432 56.6740 28.6122 174.8111 8 Y 5.1283 7.7794 122.4017 56.9384 37.6865 175.3401 9 F 4.5047 9.2461 126.5703 56.6961 40.6066 178.3127 10 G 3.2592 5.5786 110.6314 46.6719 0.0000 176.5170 11 K 4.4581 8.5873 120.7012 54.9318 30.4848 175.4802 12 I 4.5262 7.1247 113.8438 58.9870 40.6542 176.8895 13 T 4.3003 8.0305 112.5870 60.9008 71.2189 175.8241 14 R 3.7934 9.2567 121.4600 59.5847 29.9844 178.4992 15 R 3.8953 7.9212 118.0214 59.3984 30.0838 177.9177 16 E 3.9510 8.2733 119.4185 59.2491 29.5786 178.8561 17 S 4.1544 8.3551 114.5421 61.6497 62.9644 176.4404 18 E 3.9752 8.3771 122.1770 58.9238 28.9593 179.1701 19 R 3.9124 7.9257 118.1184 59.5054 30.2376 178.3415 20 L 4.1864 7.9090 117.5608 57.8463 41.7676 179.2368 21 L 4.2140 8.1359 117.7413 56.5815 41.9498 177.5699 22 L 4.4826 7.8243 119.0842 53.9834 43.0220 176.0032 23 N 4.7837 7.6217 116.8834 51.6991 40.5029 175.1912 24 A 3.9909 8.7052 128.1724 55.3306 18.5309 178.2075 25 E 4.1543 8.7693 113.7605 57.6137 29.8990 176.6384 26 N 4.5104 8.0106 118.3800 52.0131 38.9767 173.5804 27 P 4.5717 0.0000 0.0000 61.2573 32.9805 175.4786 28 R 3.9422 8.0819 117.4871 57.8220 30.3120 177.6748 29 G 4.1101 9.2461 109.7562 46.4466 0.0000 173.3866 30 T 4.6892 7.5781 117.8861 63.8909 69.7105 173.4641 31 F 5.8405 9.0844 119.7084 55.9818 42.1680 172.6869 32 L 4.5365 8.2609 117.2268 54.4656 43.6628 174.1517 33 V 5.0749 9.0460 121.1144 61.3665 34.3228 174.6870 34 R 4.9819 9.2004 123.3765 54.2746 33.5981 173.9195 35 E 4.7016 8.9331 118.8048 56.0302 30.1568 177.4854 36 S 4.2493 8.4162 118.2782 58.5714 62.5158 174.4415 37 E 4.1617 8.9785 126.1174 58.7665 29.5391 177.6650 38 T 4.4842 7.8478 104.7361 61.0572 69.9768 173.4201 39 T 4.4077 8.1542 120.3326 61.3521 70.0706 173.4780 40 K 4.0283 8.5138 128.0697 57.6795 32.6290 177.4686 41 G 3.7743 8.6748 111.9882 45.5286 0.0000 173.0826 42 A 4.6780 7.4006 121.4341 50.7134 21.9995 175.2602 43 Y 5.2497 8.7430 116.0524 56.4658 42.7573 174.4821 44 C 5.3284 9.5067 117.0386 58.2858 32.8148 173.4675 45 L 5.0030 9.3948 126.2459 53.9903 43.2609 175.0189 46 S 5.1723 8.9947 123.9264 57.1169 64.8587 173.7358 47 V 5.0795 8.9363 124.8615 61.0429 34.9233 174.6777 48 S 4.9957 9.3300 122.2411 58.0753 65.1490 172.3837 49 D 5.1599 9.0870 120.7082 53.3704 45.5758 173.5000 50 F 5.7357 8.7837 120.9957 58.0938 42.2542 172.4530 51 D 4.5586 7.4304 123.7446 52.1411 42.3073 175.9881 52 N 4.1307 8.6798 116.2700 56.0942 38.9759 177.0747 53 A 4.0390 8.1017 120.3288 54.8457 18.4824 178.3041 54 K 4.3144 8.6303 111.6049 55.0865 33.9873 178.8394 55 G 3.3380 7.8622 108.8868 45.4345 0.0000 172.2726 56 L 4.9467 8.5945 123.9698 55.2726 42.9123 177.0694 57 N 4.9817 9.0737 122.2392 52.1423 41.3022 173.0341 58 V 4.9295 8.2646 118.4240 61.0092 34.4658 174.5567 59 K 4.5342 8.8940 125.6107 54.7511 35.6596 174.6517 60 H 5.2115 8.3504 120.2022 54.1389 31.5411 172.6964 61 Y 4.6715 8.8464 121.3356 55.7481 40.4965 175.1292 62 K 4.6352 8.9027 126.2868 56.4434 33.4643 175.7672 63 I 4.7042 8.9760 128.3713 59.8222 39.5963 175.0037 64 R 4.6529 8.7750 126.5929 54.6246 32.5391 175.5616 65 K 4.5863 8.0220 122.0518 54.7257 34.7918 175.8505 66 L 4.4268 8.6513 127.9090 53.9343 42.6921 177.8692 67 D 4.3781 8.4439 120.4820 56.9771 40.9759 177.9606 68 S 4.2258 7.9019 113.8101 59.5284 62.9872 174.6109 69 G 4.0530 8.2395 109.1329 44.8992 0.0000 174.2572 70 G 4.0961 8.0116 107.0657 45.8143 0.0000 172.7193 71 F 5.5341 9.3690 123.1198 56.0084 41.7667 174.4112 72 Y 5.1696 8.4263 118.4640 57.4126 41.0706 174.9607 73 I 4.1892 9.1395 120.8963 63.2348 38.4646 176.0924 74 T 4.7454 7.7721 114.5513 59.7828 68.9711 175.0707 75 S 2.8250 8.5439 122.8594 60.4539 62.9964 175.6003 76 R 3.9198 7.2947 118.2474 58.2783 29.9032 176.8167 77 T 4.1414 7.7541 113.4829 61.6151 69.8471 172.9521 78 Q 4.9011 7.7215 123.9936 53.8616 31.7381 175.3783 79 F 4.9269 8.8802 117.7155 55.7614 42.7741 176.1692 80 N 4.8095 8.9875 120.1970 55.4664 39.0045 175.7487 81 S 4.2556 7.5532 110.6930 55.7296 67.2921 174.9738 82 L 3.4296 6.9563 124.0572 58.0610 41.7110 179.3178 83 Q 4.1951 7.8519 117.6333 59.1675 28.7174 178.5391 84 Q 3.9225 8.2359 119.2643 58.6173 28.7193 178.5887 85 L 2.4400 7.5826 121.2625 57.7173 41.9120 179.1895 86 V 3.1553 7.3518 116.6879 65.6305 31.6235 177.4546 87 A 3.9796 7.8351 120.5137 55.2362 18.2388 178.9044 88 Y 3.7676 7.7188 118.0666 61.0286 38.9166 177.6289 89 Y 4.5365 7.5838 117.1801 59.0571 37.8148 177.3380 90 S 4.8816 7.3163 116.2261 58.7252 63.2868 174.6120 91 K 4.3013 7.5276 118.8383 56.1774 33.7154 175.8348 92 H 4.6815 7.7542 115.8985 53.6122 31.8716 174.2935 93 A 3.9973 8.7833 127.3062 54.6847 19.9150 179.4111 94 D 4.4182 7.8437 112.7505 55.9717 40.0591 175.3002 95 G 3.9225 9.0196 116.6994 46.5223 0.0000 173.5066 96 L 4.0056 7.8971 121.3452 53.6974 42.4059 177.8712 97 C 4.4119 8.8456 116.1366 61.5526 29.7600 173.3920 98 H 4.5332 7.1556 114.5528 54.7382 32.7791 173.4127 99 R 4.1221 7.7635 120.2239 55.7073 30.1439 175.8343 100 L 3.8033 8.6977 121.0059 55.9107 42.0135 175.5782 101 T 4.6131 9.1724 112.5482 61.5126 70.4925 174.0152 102 T 5.0416 7.9012 115.5535 60.2402 73.3852 173.8492 103 V 3.5331 8.3518 123.6302 61.6930 32.1728 175.4258 104 C 4.3088 8.1773 124.6305 58.9689 31.8988 171.7587 105 P 4.6180 0.0000 0.0000 62.4798 32.0122 176.4374 106 T 4.2498 8.2933 109.3095 61.9125 68.8939 174.4030 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 S 8.19 4.39 0.00 3.84 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 2 I 8.08 3.16 1.50 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.36 0.36 0.00 0.00 3 Q 8.17 4.13 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 4 A 7.53 4.14 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 5 E 7.76 3.62 0.00 1.16 1.12 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 2.05 1.47 0.00 6 E 8.46 3.91 0.00 2.05 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 2.36 2.29 0.00 7 W 7.33 4.52 0.00 3.36 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 8 Y 7.78 5.13 0.00 2.73 2.92 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 9 F 9.25 4.50 0.00 2.76 2.97 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 10 G 5.58 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 0.00 0.00 0.00 11 K 8.59 4.46 0.00 1.92 1.78 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 12 I 7.12 4.53 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.96 0.00 0.00 13 T 8.03 4.30 4.40 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 1.22 0.00 0.00 14 R 9.26 3.79 0.00 1.77 2.04 0.00 2.99 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.31 0.00 15 R 7.92 3.90 0.00 1.91 1.91 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 16 E 8.27 3.95 0.00 2.16 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 0.00 2.35 2.42 0.00 17 S 8.36 4.15 0.00 4.08 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 18 E 8.38 3.98 0.00 2.21 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 2.40 2.61 0.00 19 R 7.93 3.91 0.00 1.94 2.12 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 20 L 7.91 4.19 0.00 1.86 1.79 1.17 0.93 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 21 L 8.14 4.21 0.00 1.66 1.73 0.92 1.11 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 22 L 7.82 4.48 0.00 1.70 1.70 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.62 4.78 0.00 2.73 2.68 0.00 0.00 6.93 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 24 A 8.71 3.99 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 25 E 8.77 4.15 0.00 2.01 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 2.32 2.37 0.00 26 N 8.01 4.51 0.00 2.83 2.77 0.00 0.00 6.97 7.77 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 27 P 0.00 4.57 0.00 2.18 2.16 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 28 R 8.08 3.94 0.00 1.54 1.64 0.00 3.28 0.00 0.00 3.56 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.69 0.00 29 G 9.25 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 30 T 7.58 4.69 4.27 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 1.22 0.00 0.00 31 F 9.08 5.84 0.00 3.20 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 32 L 8.26 4.54 0.00 0.35 0.59 0.72 -0.00 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 33 V 9.05 5.07 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.10 0.00 0.00 34 R 9.20 4.98 0.00 2.02 2.00 0.00 3.03 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 35 E 8.93 4.70 0.00 1.93 1.95 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 2.53 2.44 0.00 36 S 8.42 4.25 0.00 3.89 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 37 E 8.98 4.16 0.00 1.98 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 2.31 2.28 0.00 38 T 7.85 4.48 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 39 T 8.15 4.41 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 1.17 0.00 0.00 40 K 8.51 4.03 0.00 1.68 1.68 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 41 G 8.67 3.77 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 0.00 0.00 0.00 42 A 7.40 4.68 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 43 Y 8.74 5.25 0.00 3.15 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 44 C 9.51 5.33 0.00 2.88 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 45 L 9.39 5.00 0.00 1.78 1.82 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.99 5.17 0.00 3.81 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 47 V 8.94 5.08 2.30 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 1.15 0.00 0.00 1.08 0.00 0.00 48 S 9.33 5.00 0.00 3.92 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 49 D 9.09 5.16 0.00 2.80 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 50 F 8.78 5.74 0.00 3.06 2.86 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 0.00 0.00 0.00 51 D 7.43 4.56 0.00 2.66 2.64 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 52 N 8.68 4.13 0.00 2.69 2.89 0.00 0.00 6.89 7.35 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 53 A 8.10 4.04 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 54 K 8.63 4.31 0.00 1.56 1.76 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.28 7.81 55 G 7.86 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 0.00 0.00 0.00 56 L 8.59 4.95 0.00 1.94 1.71 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.07 4.98 0.00 2.84 2.84 0.00 0.00 6.04 6.95 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 58 V 8.26 4.93 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 0.67 0.00 0.00 0.93 0.00 0.00 59 K 8.89 4.53 0.00 1.63 1.08 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.54 7.81 60 H 8.35 5.21 0.00 2.89 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.85 4.67 0.00 2.90 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 62 K 8.90 4.64 0.00 1.81 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.66 7.81 63 I 8.98 4.70 2.16 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 1.33 0.65 1.19 0.00 0.00 64 R 8.78 4.65 0.00 0.67 1.54 0.00 3.08 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.39 0.00 65 K 8.02 4.59 0.00 1.21 1.50 0.00 0.96 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.02 1.24 7.81 66 L 8.65 4.43 0.00 1.74 1.62 1.02 1.34 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 67 D 8.44 4.38 0.00 2.65 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 68 S 7.90 4.23 0.00 3.87 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 69 G 8.24 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 0.00 0.00 0.00 70 G 8.01 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 71 F 9.37 5.53 0.00 3.13 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 72 Y 8.43 5.17 0.00 3.40 3.15 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 73 I 9.14 4.19 1.90 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.96 0.00 0.00 74 T 7.77 4.75 4.33 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 1.31 0.00 0.00 75 S 8.54 2.82 0.00 3.50 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 76 R 7.29 3.92 0.00 1.82 1.96 0.00 3.19 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 77 T 7.75 4.14 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 0.79 0.00 0.00 78 Q 7.72 4.90 0.00 1.86 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.77 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 79 F 8.88 4.93 0.00 3.19 2.93 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 0.00 0.00 0.00 80 N 8.99 4.81 0.00 3.03 2.98 0.00 0.00 6.76 7.57 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 81 S 7.55 4.26 0.00 3.82 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 82 L 6.96 3.43 0.00 0.70 1.38 0.83 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.85 4.20 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.68 2.95 0.00 84 Q 8.24 3.92 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 85 L 7.58 2.44 0.00 1.56 1.59 1.16 0.59 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 86 V 7.35 3.16 1.49 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 0.06 0.00 0.00 -0.06 0.00 0.00 87 A 7.84 3.98 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 88 Y 7.72 3.77 0.00 2.78 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 0.00 0.00 0.00 0.00 89 Y 7.58 4.54 0.00 2.94 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 90 S 7.32 4.88 0.00 3.86 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 91 K 7.53 4.30 0.00 1.50 1.46 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.21 7.81 92 H 7.75 4.68 0.00 2.67 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.78 4.00 1.25 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 94 D 7.84 4.42 0.00 3.11 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 0.00 0.00 0.00 95 G 9.02 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 0.00 0.00 0.00 96 L 7.90 4.01 0.00 1.61 1.28 0.52 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.85 4.41 0.00 3.35 3.21 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 98 H 7.16 4.53 0.00 3.08 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.76 4.12 0.00 2.04 1.92 0.00 3.18 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 100 L 8.70 3.80 0.00 1.04 0.46 0.08 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 101 T 9.17 4.61 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 1.36 0.00 0.00 102 T 7.90 5.04 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 1.25 0.00 0.00 103 V 8.35 3.53 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 0.71 0.00 0.00 1.05 0.00 0.00 104 C 8.18 4.31 0.00 2.95 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 0.00 105 P 0.00 4.62 0.00 2.11 1.98 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 106 T 8.29 4.25 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 1.12 0.00 0.00