NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4193 8.3044 120.3281 54.6964 33.4772 174.3470 2 E 3.8297 8.3229 120.7034 55.1607 30.1741 174.6715 3 A 4.1144 9.2544 129.1958 52.8016 19.9068 177.2665 4 L 4.0798 8.4931 120.7824 55.8145 42.1222 178.3224 5 G 3.8254 9.7368 104.5582 45.2302 0.0000 172.4488 6 A 4.5952 7.4092 116.3837 50.7932 22.1447 176.5409 7 D 4.6553 8.7933 122.2517 53.6980 42.4127 175.6639 8 V 4.5886 8.3970 122.9795 61.3988 34.0072 174.9304 9 T 4.4086 7.9350 125.7391 61.9279 68.8229 174.5832 10 Q 3.9117 8.7908 125.6800 56.9116 28.9174 177.4906 11 G 4.0619 9.0648 109.7602 46.0270 0.0000 172.6422 12 L 5.0705 8.3349 120.6194 52.9032 45.9494 174.9971 13 E 5.1307 8.4906 118.5348 54.0460 34.6093 175.2774 14 K 4.1223 8.3056 122.7038 58.1536 32.3668 177.1541 15 G 4.0110 9.2547 115.6602 44.9533 0.0000 173.8146 16 S 4.3208 8.0610 116.4812 58.5524 64.2427 173.2749 17 L 5.0869 8.4357 123.3820 53.3360 42.9448 175.6272 18 I 4.6249 8.8408 117.4848 59.1186 41.7118 174.2528 19 T 4.5251 8.6642 118.8651 62.8910 70.0576 174.4781 20 C 4.8507 8.5711 126.9206 57.4820 31.3648 173.8524 21 A 4.5207 8.4059 132.8041 49.8716 15.6373 174.4839 22 D 5.4926 7.6376 120.3075 52.9266 41.4763 176.7156 23 N 5.0062 8.2455 113.4274 53.0944 37.9266 177.4730 24 T 3.9739 7.9684 112.2923 64.1109 69.1239 174.9006 25 G 3.9162 7.4758 108.3566 45.1145 0.0000 172.9115 26 A 4.7617 7.5481 123.5934 51.2586 20.1458 176.8103 27 R 4.3348 9.0452 122.9552 57.8892 31.8884 176.0714 28 E 5.1460 8.0528 119.1771 54.2393 32.6408 174.1816 29 L 5.2929 8.9382 126.2220 52.7805 45.5008 175.1237 30 K 4.9892 8.9815 123.4180 54.3351 34.8599 175.3783 31 V 3.9092 8.7706 128.6811 63.5891 31.9698 175.7050 32 I 4.2020 8.5282 128.1968 62.8426 38.8078 175.8832 33 S 4.7305 7.7723 115.2272 57.1675 68.3170 172.9267 34 V 4.5837 8.1822 120.5402 60.9975 33.8602 174.3769 35 H 4.2347 8.9297 128.4192 57.8149 30.0326 175.0789 36 G 3.8667 8.5998 113.4043 46.1776 0.0000 172.1969 37 Y 4.5820 7.6874 119.7686 55.8904 40.0153 175.0836 38 S 4.2587 7.2698 119.8329 56.4359 65.7067 173.3608 39 G 3.9864 8.0268 125.6776 45.5692 0.0000 172.4654 40 T 4.5445 8.1479 116.9477 59.8126 70.5168 172.7786 41 K 3.9731 8.4819 125.5712 58.4455 32.2300 176.8752 42 N 4.5515 8.9719 121.6074 53.4579 37.0281 174.3820 43 R 4.1992 7.7392 118.8478 55.7856 30.8249 175.3596 44 H 4.5209 8.7166 122.8313 54.4133 29.6100 173.0312 45 P 4.5869 0.0000 0.0000 63.3617 31.8361 175.4404 46 K 4.8183 8.0808 123.9039 55.7024 34.3704 175.9339 47 A 4.7398 8.9416 123.5648 50.5543 23.0782 175.3846 48 G 4.2362 9.5518 107.1580 44.2784 0.0000 171.3763 49 L 4.1212 8.6118 121.7174 57.0333 42.0773 177.5907 50 G 4.1233 9.0218 114.7242 45.0749 0.0000 173.0495 51 D 4.8368 7.9837 119.9453 53.5246 42.9900 175.2031 52 K 4.8409 8.6346 122.9130 55.0238 34.0352 175.1304 53 I 5.1227 8.6962 120.5541 59.3143 41.4401 174.7868 54 T 4.6635 8.7117 120.9785 63.4400 69.9951 174.2058 55 V 4.9913 9.2717 123.5724 60.2642 35.7918 173.7193 56 S 5.1169 9.0920 116.2208 56.4890 65.6180 173.0278 57 V 4.2416 8.3403 127.0106 62.7773 31.6938 176.3086 58 T 4.1207 8.6887 125.5670 65.5452 69.1920 175.6947 59 K 4.5632 9.0624 119.6168 54.3490 36.0092 177.3069 60 G 3.9119 8.4804 109.3418 44.5802 0.0000 172.6826 61 T 4.0461 7.8545 110.4756 60.7983 69.3690 173.3407 62 P 4.2718 0.0000 0.0000 66.2368 31.3334 178.4834 63 E 4.1098 8.0019 115.6190 59.7492 29.7347 178.8180 64 M 4.1722 7.6528 118.1589 56.9476 32.2397 177.0635 65 R 3.9314 7.7202 118.7530 58.0367 30.5366 176.8274 66 R 4.0808 8.7542 122.4019 56.3587 29.0970 176.5590 67 Q 4.2645 7.6524 117.3553 55.5650 30.4031 175.4356 68 V 4.3603 8.2809 122.2349 61.6757 32.5861 174.4150 69 L 4.9503 8.7216 127.2857 53.0491 46.4796 175.2653 70 E 5.1260 8.5309 118.0663 55.3364 32.1650 175.2608 71 A 4.9470 8.8133 123.1230 50.8058 23.8777 174.9425 72 V 4.4888 8.1556 118.3945 60.8202 34.6910 174.8168 73 V 4.0387 8.6859 128.6512 63.1596 31.5790 176.2043 74 V 4.0110 8.9199 128.7009 63.9542 33.4829 175.6272 75 R 4.1415 7.4221 117.3720 54.3618 34.9407 174.1698 76 Q 4.9185 8.1245 117.9570 55.1486 31.5006 175.8597 77 R 4.2868 9.5262 120.9570 58.6204 30.4437 177.7420 78 K 4.2115 7.8665 118.5917 55.5526 32.3632 175.3700 79 P 4.9415 0.0000 0.0000 62.8262 32.8117 175.0537 80 I 4.9472 8.6317 114.3889 59.2321 41.4810 173.9101 81 R 4.9375 9.1062 124.3668 55.0118 32.0350 175.5474 82 R 4.7624 8.7638 125.2786 54.2115 31.8845 175.7189 83 P 4.3068 0.0000 0.0000 65.7471 31.4101 176.9766 84 D 4.6470 8.1038 115.4166 53.0272 39.4751 176.5305 85 G 4.1518 8.4782 111.0383 46.1507 0.0000 174.9379 86 T 4.0332 7.7320 115.4749 64.0231 69.5404 173.7848 87 R 5.0191 8.4245 123.1859 54.9984 32.5888 175.9393 88 V 4.5062 8.7058 121.2730 61.0966 34.8326 174.3972 89 K 5.0138 8.3566 125.2350 55.4210 35.6725 175.0343 90 F 4.7874 8.6779 119.2729 55.4810 41.8912 176.5905 91 E 4.0733 9.0381 120.6548 59.0023 29.6808 175.2436 92 D 4.7661 7.7454 115.5645 52.5103 42.8607 173.6519 93 N 5.1904 8.7655 115.0902 51.7899 40.7765 174.1468 94 A 5.2442 8.8925 124.8118 50.3465 23.3689 174.4307 95 A 4.9887 9.2587 120.6233 50.2599 23.6446 175.2020 96 V 4.5860 8.2106 119.3447 60.6898 34.0926 175.3993 97 I 4.2924 8.2263 129.0863 61.9289 38.1464 175.2764 98 V 4.8615 8.7964 124.5176 61.5615 35.2610 175.0010 99 D 4.7816 8.4359 124.8363 52.0116 41.7624 176.3757 100 E 3.9181 8.7457 118.5024 59.4766 29.6436 177.6876 101 N 4.7073 8.2536 113.5654 52.7532 38.6409 174.7949 102 E 3.8084 8.0630 115.8689 57.2274 27.7622 173.6469 103 D 4.9788 8.7340 119.4579 51.1029 42.1235 174.4747 104 P 4.6653 0.0000 0.0000 63.2790 31.6320 176.2430 105 R 3.8840 8.6184 123.3343 59.3356 30.1110 177.1194 106 G 3.9523 7.7132 104.4415 45.2673 0.0000 172.7643 107 T 4.3237 8.5128 114.6492 64.2313 69.5018 175.5434 108 E 4.7773 8.0778 119.7879 54.3637 33.5680 174.7594 109 L 4.9811 8.5660 123.3098 53.5163 43.3243 175.9959 110 K 4.4216 8.2809 122.3420 55.7451 33.9888 177.5043 111 G 3.9257 8.8186 113.1416 43.7930 0.0000 170.8078 112 P 4.8728 0.0000 0.0000 62.8289 32.6765 175.2265 113 I 4.7245 8.2486 118.3958 59.6592 42.2416 174.4594 114 A 5.1332 8.0491 126.0561 51.2635 19.6590 179.2195 115 R 3.9581 8.7840 118.8911 59.4675 29.5132 179.4761 116 E 3.9856 8.1636 118.9479 59.1553 29.5303 179.2317 117 V 3.6857 7.8119 117.6789 65.8849 31.5085 177.6109 118 A 4.0588 7.8276 119.4842 55.4143 18.2800 179.1190 119 Q 4.0213 7.8734 116.8437 59.2475 29.2000 178.0783 120 R 3.9327 7.7028 118.4517 57.6871 31.4152 176.5257 121 F 4.7784 8.3124 119.5279 54.5763 38.9624 175.7070 122 G 3.8779 8.5390 111.8827 48.0858 0.0000 172.4375 123 S 4.5348 8.0777 117.9451 60.1064 62.6950 176.5819 124 V 3.5778 7.7851 120.7829 65.6609 31.6349 177.3398 125 A 4.2255 8.1585 120.8914 54.9204 18.3786 180.1357 126 S 4.6598 8.5996 112.7800 58.0806 62.8187 175.4604 127 A 4.5743 7.7105 120.3859 53.0444 22.4146 177.0640 128 A 4.2745 8.0676 120.1475 52.0744 19.1505 177.9700 129 T 4.1909 8.5286 119.3865 65.8200 68.9419 175.2601 130 M 4.8966 7.8175 119.5723 53.4474 36.2409 174.9019 131 I 4.7918 8.4298 122.7055 59.7065 40.6498 175.5333 132 V 4.0191 9.0939 127.2643 62.8621 31.5348 175.5541 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 M 8.30 4.42 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 E 8.32 3.83 0.00 1.94 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 2.24 2.33 0.00 3 A 9.25 4.11 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 4 L 8.49 4.08 0.00 1.66 1.75 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.74 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 0.00 0.00 0.00 0.00 6 A 7.41 4.60 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 7 D 8.79 4.66 0.00 2.67 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 8 V 8.40 4.59 2.10 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 0.84 0.00 0.00 1.02 0.00 0.00 9 T 7.93 4.41 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 10 Q 8.79 3.91 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 11 G 9.06 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 12 L 8.33 5.07 0.00 1.64 1.50 0.88 0.77 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 13 E 8.49 5.13 0.00 1.83 1.80 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 2.22 2.23 0.00 14 K 8.31 4.12 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.57 7.81 15 G 9.25 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 0.00 0.00 0.00 16 S 8.06 4.32 0.00 3.96 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 17 L 8.44 5.09 0.00 1.50 1.59 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.84 4.62 1.99 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 1.32 1.30 0.88 0.00 0.00 19 T 8.66 4.53 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 1.19 0.00 0.00 20 C 8.57 4.85 0.00 2.96 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 21 A 8.41 4.52 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 22 D 7.64 5.49 0.00 2.66 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 23 N 8.25 5.01 0.00 2.77 3.04 0.00 0.00 5.70 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 24 T 7.97 3.97 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 1.28 0.00 0.00 25 G 7.48 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 26 A 7.55 4.76 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 27 R 9.05 4.33 0.00 1.86 1.95 0.00 3.06 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 8.05 5.15 0.00 2.00 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 2.24 2.39 0.00 29 L 8.94 5.29 0.00 1.55 1.49 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.98 4.99 0.00 1.73 1.72 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 V 8.77 3.91 2.22 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 0.85 0.00 0.00 0.94 0.00 0.00 32 I 8.53 4.20 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 0.91 0.00 0.00 33 S 7.77 4.73 0.00 3.74 3.73 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 0.00 0.00 0.00 0.00 34 V 8.18 4.58 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 0.96 0.00 0.00 0.85 0.00 0.00 35 H 8.93 4.23 0.00 3.19 3.38 0.00 6.12 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.60 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 0.00 0.00 0.00 37 Y 7.69 4.58 0.00 2.94 3.03 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 0.00 0.00 0.00 0.00 38 S 7.27 4.26 0.00 3.64 3.45 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 39 G 8.03 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 0.00 0.00 0.00 40 T 8.15 4.54 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 1.23 0.00 0.00 41 K 8.48 3.97 0.00 1.75 1.74 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 N 8.97 4.55 0.00 2.95 3.03 0.00 0.00 7.04 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 43 R 7.74 4.20 0.00 1.83 2.04 0.00 3.40 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 44 H 8.72 4.52 0.00 3.28 3.22 0.00 5.96 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.59 0.00 2.15 2.47 0.00 3.73 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 46 K 8.08 4.82 0.00 1.66 1.76 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.12 1.16 7.81 47 A 8.94 4.74 1.11 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 48 G 9.55 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 0.00 0.00 0.00 49 L 8.61 4.12 0.00 1.61 1.65 0.93 1.23 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 50 G 9.02 4.12 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 0.00 0.00 0.00 51 D 7.98 4.84 0.00 2.75 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 52 K 8.63 4.84 0.00 1.92 1.72 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.77 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.48 7.81 53 I 8.70 5.12 1.97 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 1.17 0.71 0.88 0.00 0.00 54 T 8.71 4.66 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 1.26 0.00 0.00 55 V 9.27 4.99 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 0.76 0.00 0.00 0.95 0.00 0.00 56 S 9.09 5.12 0.00 3.83 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 57 V 8.34 4.24 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 0.98 0.00 0.00 0.91 0.00 0.00 58 T 8.69 4.12 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 1.28 0.00 0.00 59 K 9.06 4.56 0.00 1.73 1.64 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.51 7.81 60 G 8.48 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 61 T 7.85 4.05 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 62 P 0.00 4.27 0.00 2.03 2.18 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 63 E 8.00 4.11 0.00 1.93 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 2.31 2.34 0.00 64 M 7.65 4.17 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.67 0.00 65 R 7.72 3.93 0.00 1.93 1.84 0.00 3.32 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 66 R 8.75 4.08 0.00 2.02 2.11 0.00 3.20 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 Q 7.65 4.26 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 68 V 8.28 4.36 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 0.80 0.00 0.00 0.93 0.00 0.00 69 L 8.72 4.95 0.00 1.57 1.49 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.53 5.13 0.00 2.02 1.78 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 2.30 2.28 0.00 71 A 8.81 4.95 1.11 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 72 V 8.16 4.49 1.68 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 0.42 0.00 0.00 -0.18 0.00 0.00 73 V 8.69 4.04 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 0.83 0.00 0.00 0.88 0.00 0.00 74 V 8.92 4.01 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 0.76 0.00 0.00 0.91 0.00 0.00 75 R 7.42 4.14 0.00 1.47 1.15 0.00 3.16 0.00 0.00 3.56 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.30 0.00 76 Q 8.12 4.92 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 77 R 9.53 4.29 0.00 1.80 2.07 0.00 3.14 0.00 0.00 3.03 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 78 K 7.87 4.21 0.00 1.77 1.74 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.94 0.00 2.12 1.95 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 80 I 8.63 4.95 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.99 0.00 0.00 81 R 9.11 4.94 0.00 1.85 1.82 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 82 R 8.76 4.76 0.00 1.89 1.82 0.00 3.21 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 83 P 0.00 4.31 0.00 2.03 2.15 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 84 D 8.10 4.65 0.00 2.78 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 85 G 8.48 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 86 T 7.73 4.03 4.34 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 1.19 0.00 0.00 87 R 8.42 5.02 0.00 1.67 1.83 0.00 3.31 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 88 V 8.71 4.51 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 0.71 0.00 0.00 0.89 0.00 0.00 89 K 8.36 5.01 0.00 1.94 1.69 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.39 7.81 90 F 8.68 4.79 0.00 3.32 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 91 E 9.04 4.07 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 2.32 2.27 0.00 92 D 7.75 4.77 0.00 2.67 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 93 N 8.77 5.19 0.00 2.62 2.73 0.00 0.00 6.46 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 94 A 8.89 5.24 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.26 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.21 4.59 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 0.96 0.00 0.00 0.90 0.00 0.00 97 I 8.23 4.29 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.34 0.91 0.00 0.00 98 V 8.80 4.86 1.94 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 0.67 0.00 0.00 0.83 0.00 0.00 99 D 8.44 4.78 0.00 2.94 2.80 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 0.00 100 E 8.75 3.92 0.00 1.95 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 2.30 2.34 0.00 101 N 8.25 4.71 0.00 3.01 2.83 0.00 0.00 6.96 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 0.00 102 E 8.06 3.81 0.00 2.27 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 2.30 2.33 0.00 103 D 8.73 4.98 0.00 2.93 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 0.00 104 P 0.00 4.67 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 105 R 8.62 3.88 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.71 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 0.00 0.00 0.00 107 T 8.51 4.32 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 0.00 108 E 8.08 4.78 0.00 1.86 1.78 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 2.28 2.30 0.00 109 L 8.57 4.98 0.00 1.51 1.57 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.28 4.42 0.00 1.63 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.36 7.81 111 G 8.82 3.93 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 0.00 0.00 0.00 112 P 0.00 4.87 0.00 2.27 2.18 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 113 I 8.25 4.72 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 0.91 0.00 0.00 114 A 8.05 5.13 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 0.00 115 R 8.78 3.96 0.00 2.11 2.25 0.00 2.80 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 116 E 8.16 3.99 0.00 2.12 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 2.48 2.48 0.00 117 V 7.81 3.69 2.27 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 1.25 0.00 0.00 1.01 0.00 0.00 118 A 7.83 4.06 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 0.00 119 Q 7.87 4.02 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 120 R 7.70 3.93 0.00 1.66 1.77 0.00 3.11 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 121 F 8.31 4.78 0.00 3.14 2.90 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 0.00 122 G 8.54 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 0.00 0.00 0.00 123 S 8.08 4.53 0.00 4.08 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 0.00 124 V 7.79 3.58 2.37 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 0.85 0.00 0.00 0.90 0.00 0.00 125 A 8.16 4.23 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.60 4.66 0.00 3.99 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 0.00 127 A 7.71 4.57 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 0.00 128 A 8.07 4.27 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 0.00 129 T 8.53 4.19 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 0.00 130 M 7.82 4.90 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 131 I 8.43 4.79 1.90 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 0.63 0.95 0.00 0.00 132 V 9.09 4.02 2.20 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 0.86 0.00 0.00 0.99 0.00 0.00