NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4164 8.3293 121.9737 55.8293 30.1930 174.5823 3 V 3.9709 8.1454 126.2785 61.0855 32.5489 173.7571 4 Q 4.6691 9.6197 124.2882 55.0454 33.6667 174.0067 5 L 5.2722 8.6405 124.7543 52.9870 45.8037 175.6634 6 V 4.4021 8.4518 122.0861 61.1670 34.0341 174.3854 7 E 5.0226 8.3924 127.8326 56.5628 30.4822 176.3766 8 S 4.5777 9.4373 115.9875 58.1520 66.5089 174.7307 9 G 3.8920 9.3664 107.4000 45.2786 0.0000 174.7944 10 G 4.2192 8.0714 106.9497 46.5024 0.0000 172.5680 11 A 4.4887 7.9026 121.1717 50.8917 22.7778 174.8132 12 L 4.7562 8.4849 121.6947 54.9955 42.8848 176.3815 13 V 4.6232 8.8505 118.6235 59.7407 36.5084 174.8429 14 Q 4.7606 8.5087 121.1660 54.3895 30.4787 173.8429 15 P 4.4450 0.0000 0.0000 64.6165 31.7553 177.3005 16 G 3.9108 9.4391 110.6524 45.3724 0.0000 173.7421 17 G 3.9677 8.0072 107.6873 46.0738 0.0000 172.6316 18 S 5.2825 8.2046 114.5891 56.8558 66.5735 173.7500 19 L 4.3741 8.3416 122.0820 54.0737 45.9537 174.2080 20 R 4.6797 8.2589 124.5684 54.3430 32.1428 174.7105 21 L 4.5414 8.1523 127.1469 54.7433 43.1452 176.3875 22 S 5.3787 9.2524 115.0144 57.4550 67.3187 172.4018 23 C 5.2084 9.1800 120.4956 57.9225 35.2630 172.2923 24 A 4.7432 9.0126 128.3925 50.6654 20.0506 175.4817 25 A 5.1449 8.3244 125.3285 50.3964 21.2002 176.2497 26 S 4.3882 8.8529 115.2252 57.6906 66.4686 175.1890 27 G 4.1024 10.2212 109.5889 45.4380 0.0000 173.1625 28 F 4.8036 6.7673 111.9883 54.9386 40.3486 171.7374 29 P 4.3727 0.0000 0.0000 62.2810 31.6690 177.5947 30 V 4.0221 8.3287 122.7343 63.2204 31.5373 176.0899 31 N 5.0383 8.0512 117.5793 52.8930 37.4420 175.2417 32 R 4.5608 8.1039 114.2672 56.4625 32.0047 174.9506 33 Y 4.7392 7.6467 115.4823 55.7000 41.9843 174.2854 34 S 5.0952 8.6676 118.2120 58.3520 64.0119 173.1947 35 M 5.0178 8.7944 122.7425 53.6952 35.1747 174.8999 36 R 5.3557 8.8012 120.1024 54.4195 35.3531 173.9709 37 W 5.4026 9.5466 120.9988 55.4122 32.2035 174.6776 38 Y 5.5220 9.8420 121.4031 56.3542 41.8670 174.5338 39 R 5.0227 9.2246 116.0105 54.8244 33.4671 173.9697 40 Q 4.7568 9.2465 122.7068 54.1885 31.7613 174.9289 41 A 4.6174 8.5884 128.6522 50.8237 20.0599 174.4189 42 P 4.2809 0.0000 0.0000 63.4437 32.1913 177.3804 43 G 4.0255 8.7762 112.7794 46.3005 0.0000 172.0789 44 K 4.6970 7.4075 114.3195 54.2568 36.8650 176.6152 45 E 4.1471 8.4910 119.8532 55.8440 30.0746 177.1106 46 R 4.1250 8.4491 122.6040 57.2467 30.7506 175.0787 47 E 4.9301 9.3362 126.3347 53.9745 32.8324 174.5439 48 W 3.8452 9.1399 135.0000 57.6029 31.2930 174.7459 49 V 3.8936 7.8342 125.4627 63.9121 33.6265 174.8215 50 A 4.3496 6.8320 119.1062 51.2760 22.7007 174.7289 51 G 4.6995 8.5069 104.5536 45.8934 0.0000 172.5175 52 M 5.5228 8.9069 118.1818 52.8192 35.0491 175.1782 53 S 4.6071 8.8105 115.9852 58.4233 64.0653 175.2195 54 S 4.2759 9.2442 115.1505 60.8900 62.3281 175.9279 55 A 4.0349 7.8806 121.2922 52.5633 18.3688 178.3141 56 G 4.0722 8.1049 104.2121 45.3849 0.0000 174.4809 57 D 4.5751 7.8720 117.6889 55.1039 40.1478 176.3979 58 R 4.8218 7.9146 119.3533 54.6548 34.5615 174.2903 59 S 5.2825 8.8071 117.8768 56.9337 66.6618 173.5578 60 S 4.9832 8.9115 118.6282 57.1366 66.9370 172.6985 61 Y 5.0233 8.6495 118.9464 55.9040 42.0376 175.0094 62 E 4.3688 8.0776 119.7964 56.1731 30.5432 177.4613 63 D 4.4075 9.1077 121.4058 57.8131 40.9887 179.3416 64 S 4.2654 7.9772 111.0446 60.0419 63.3173 174.7798 65 V 3.7495 7.4743 112.8923 60.0926 33.1352 175.2923 66 K 3.5417 7.1970 120.3036 58.3193 32.0335 176.6873 67 G 3.9155 8.7402 114.5739 45.0198 0.0000 173.4727 68 R 4.5369 8.0898 117.7583 56.2918 33.2192 175.8433 69 F 5.5834 7.9456 115.5743 56.2381 41.7062 175.9385 70 T 4.7262 8.7859 117.6258 62.1474 72.0683 173.2253 71 I 4.8786 9.2611 128.0807 60.7889 39.5415 174.5749 72 S 4.9413 8.7595 120.5243 58.1246 66.6503 173.5512 73 R 5.1236 8.6094 115.4695 55.0250 32.8085 174.3407 74 D 4.8027 9.0636 121.2111 52.8451 42.2974 176.3402 75 D 4.3562 9.0595 126.4122 57.5291 41.2525 179.3406 76 A 3.9509 8.2096 119.5900 55.5371 18.3184 178.6515 77 R 4.0778 8.6866 111.5062 56.0858 30.8161 176.0301 78 N 4.0532 7.9209 116.9952 55.1177 37.9428 173.2542 79 T 4.9991 7.7301 113.0817 61.7309 73.1513 174.8692 80 V 4.7420 8.4292 124.4489 61.3630 34.6666 173.9404 81 Y 5.4616 9.4288 123.6300 56.2595 42.2788 174.7868 82 L 4.6135 8.4979 122.8479 53.1178 44.7316 175.0212 83 Q 4.3038 9.0081 129.2273 56.0043 30.5437 174.4796 84 M 4.7498 8.7560 125.4330 53.5272 35.3487 174.4252 85 N 5.2160 8.7059 119.5424 51.0195 43.1927 173.7650 86 S 3.7028 8.7069 112.6710 59.1864 60.7957 173.5031 87 L 4.2800 7.7771 119.2177 55.2500 42.2794 177.5175 88 K 4.8618 8.9858 122.2458 53.6917 34.9805 175.6574 89 P 4.5813 0.0000 0.0000 65.1271 31.2873 178.2459 90 E 4.2649 8.1044 113.2641 57.4503 29.6587 176.8044 91 D 4.7891 7.9236 119.0028 55.2819 41.3928 176.7342 92 T 4.3561 7.9542 117.4232 63.4576 68.9378 173.6996 93 A 4.3731 8.4484 127.8046 51.9330 23.6683 174.8983 94 V 4.4107 7.8371 119.4427 62.5353 33.2447 174.2717 95 Y 5.2044 9.2602 125.8223 56.7130 40.0611 174.3260 96 Y 5.3166 9.5484 121.7983 56.5198 41.6411 174.4964 97 C 4.7038 10.0844 123.5110 58.0549 34.5837 171.9528 98 N 5.2008 8.4623 121.2026 52.1930 42.4003 173.5377 99 V 4.6043 8.3227 123.9924 60.1862 35.6340 173.6488 100 N 5.2727 8.6386 120.7528 51.7572 40.1712 173.6331 101 V 3.9054 7.9752 125.7203 60.1304 31.4168 174.3627 102 G 3.6954 8.1469 116.1683 44.3509 0.0000 173.9832 103 F 4.6878 7.5154 115.6756 54.4103 42.3181 173.8825 104 E 4.3880 8.4061 122.2072 56.0221 30.4585 175.1745 105 Y 4.7150 8.9466 123.8277 55.9142 41.4565 174.6601 106 W 5.2698 8.8050 121.8188 54.7659 32.7813 175.6037 107 G 4.4797 8.8132 110.4855 45.8273 0.0000 173.4703 108 Q 4.4315 8.9301 116.3683 56.2874 29.3447 176.7441 109 G 3.5893 9.7534 104.9404 45.4099 0.0000 172.5898 110 T 4.6498 8.1532 112.6414 60.2543 71.3258 172.3208 111 Q 4.6913 8.7081 129.4332 55.3135 31.0793 174.1404 112 V 4.7674 8.9720 126.1816 61.4081 34.4840 174.0755 113 T 4.9163 8.7388 124.3848 61.7068 71.3465 173.1408 114 V 5.2969 8.7591 126.8293 61.0034 33.2586 174.2284 115 S 4.5806 8.1677 120.3174 57.2576 65.6449 175.2704 116 S 4.2902 8.5937 116.1476 59.0493 62.6360 174.3858 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 2 Q 8.33 4.42 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 3 V 8.15 3.97 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 0.16 0.00 0.00 -0.15 0.00 0.00 4 Q 9.62 4.67 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 5 L 8.64 5.27 0.00 1.73 1.52 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.45 4.40 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 1.13 0.00 0.00 0.95 0.00 0.00 7 E 8.39 5.02 0.00 2.09 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 2.52 2.29 0.00 8 S 9.44 4.58 0.00 3.87 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 9 G 9.37 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 10 G 8.07 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 0.00 0.00 0.00 0.00 11 A 7.90 4.49 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 12 L 8.48 4.76 0.00 1.65 1.57 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.85 4.62 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 0.60 0.00 0.00 0.90 0.00 0.00 14 Q 8.51 4.76 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 15 P 0.00 4.44 0.00 2.03 2.01 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 16 G 9.44 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 17 G 8.01 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 0.00 0.00 0.00 18 S 8.20 5.28 0.00 3.66 3.82 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 19 L 8.34 4.37 0.00 1.61 1.22 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.26 4.68 0.00 1.70 1.72 0.00 3.54 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.71 0.00 21 L 8.15 4.54 0.00 0.88 1.32 0.30 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.25 5.38 0.00 3.77 4.13 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 23 C 9.18 5.21 0.00 2.85 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 24 A 9.01 4.74 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 25 A 8.32 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.85 4.39 0.00 3.79 3.82 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 27 G 10.22 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 28 F 6.77 4.80 0.00 3.07 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 29 P 0.00 4.37 0.00 2.57 2.27 0.00 3.94 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 30 V 8.33 4.02 1.91 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 0.76 0.00 0.00 0.92 0.00 0.00 31 N 8.05 5.04 0.00 2.86 3.20 0.00 0.00 5.86 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 32 R 8.10 4.56 0.00 2.00 1.59 0.00 3.16 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 33 Y 7.65 4.74 0.00 3.09 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 0.00 0.00 0.00 0.00 34 S 8.67 5.10 0.00 3.93 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 35 M 8.79 5.02 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.80 0.00 36 R 8.80 5.36 0.00 1.88 2.04 0.00 3.14 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.75 0.00 37 W 9.55 5.40 0.00 3.26 3.25 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 38 Y 9.84 5.52 0.00 3.25 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 39 R 9.22 5.02 0.00 1.16 0.70 0.00 3.01 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.64 0.00 40 Q 9.25 4.76 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 41 A 8.59 4.62 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 42 P 0.00 4.28 0.00 2.07 2.02 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 43 G 8.78 4.03 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 0.00 0.00 0.00 44 K 7.41 4.70 0.00 1.70 1.68 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.46 7.81 45 E 8.49 4.15 0.00 1.99 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 2.31 2.30 0.00 46 R 8.45 4.13 0.00 1.59 1.77 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 47 E 9.34 4.93 0.00 2.12 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 2.30 2.30 0.00 48 W 9.14 3.85 0.00 2.94 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 49 V 7.83 3.89 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 1.12 0.00 0.00 0.98 0.00 0.00 50 A 6.83 4.35 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 51 G 8.51 4.70 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 0.00 0.00 0.00 52 M 8.91 5.52 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 53 S 8.81 4.61 0.00 3.94 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 54 S 9.24 4.28 0.00 3.91 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 55 A 7.88 4.03 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 56 G 8.10 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 0.00 0.00 0.00 57 D 7.87 4.58 0.00 2.82 2.83 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 58 R 7.91 4.82 0.00 1.70 1.82 0.00 3.08 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 59 S 8.81 5.28 0.00 3.82 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 0.00 60 S 8.91 4.98 0.00 4.00 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 61 Y 8.65 5.02 0.00 2.75 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 62 E 8.08 4.37 0.00 2.12 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 2.15 2.14 0.00 63 D 9.11 4.41 0.00 2.75 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 64 S 7.98 4.27 0.00 3.91 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 65 V 7.47 3.75 0.67 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 0.25 0.00 0.00 0.77 0.00 0.00 66 K 7.20 3.54 0.00 1.84 1.82 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.38 7.81 67 G 8.74 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 68 R 8.09 4.54 0.00 1.56 2.23 0.00 3.22 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 69 F 7.95 5.58 0.00 2.75 2.87 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 70 T 8.79 4.73 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 1.31 0.00 0.00 71 I 9.26 4.88 2.03 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.30 0.96 0.00 0.00 72 S 8.76 4.94 0.00 4.00 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 73 R 8.61 5.12 0.00 1.99 1.99 0.00 3.06 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 74 D 9.06 4.80 0.00 3.05 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 75 D 9.06 4.36 0.00 2.80 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 0.00 0.00 0.00 0.00 76 A 8.21 3.95 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 77 R 8.69 4.08 0.00 1.81 1.99 0.00 3.41 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 78 N 7.92 4.05 0.00 2.76 2.72 0.00 0.00 6.92 6.96 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 79 T 7.73 5.00 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 0.61 0.00 0.00 80 V 8.43 4.74 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 1.43 0.00 0.00 0.93 0.00 0.00 81 Y 9.43 5.46 0.00 2.92 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 82 L 8.50 4.61 0.00 0.27 0.33 0.81 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 9.01 4.30 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 84 M 8.76 4.75 0.00 1.46 1.58 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.81 0.00 85 N 8.71 5.22 0.00 2.58 2.67 0.00 0.00 7.17 7.62 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 86 S 8.71 3.70 0.00 3.99 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 87 L 7.78 4.28 0.00 1.82 1.63 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.99 4.86 0.00 1.80 1.71 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.56 7.81 89 P 0.00 4.58 0.00 2.19 2.12 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 90 E 8.10 4.26 0.00 2.10 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 0.00 2.29 2.28 0.00 91 D 7.92 4.79 0.00 2.97 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 92 T 7.95 4.36 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 1.34 0.00 0.00 93 A 8.45 4.37 1.20 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 94 V 7.84 4.41 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 0.49 0.00 0.00 0.95 0.00 0.00 95 Y 9.26 5.20 0.00 2.99 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 96 Y 9.55 5.32 0.00 3.22 3.23 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 97 C 10.08 4.70 0.00 1.64 2.41 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 98 N 8.46 5.20 0.00 2.43 2.77 0.00 0.00 6.96 7.74 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 99 V 8.32 4.60 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 0.20 0.00 0.00 0.40 0.00 0.00 100 N 8.64 5.27 0.00 2.60 2.70 0.00 0.00 6.81 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 0.00 101 V 7.98 3.91 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 0.00 0.00 -0.42 0.00 0.00 0.65 0.00 0.00 102 G 8.15 3.70 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 0.00 0.00 0.00 103 F 7.52 4.69 0.00 2.81 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 0.00 104 E 8.41 4.39 0.00 1.85 1.70 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 1.61 1.89 0.00 105 Y 8.95 4.71 0.00 2.65 2.74 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 0.00 0.00 0.00 106 W 8.81 5.27 0.00 3.09 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 0.00 107 G 8.81 4.48 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 0.00 0.00 0.00 108 Q 8.93 4.43 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 109 G 9.75 3.59 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 0.00 0.00 0.00 0.00 110 T 8.15 4.65 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 1.38 0.00 0.00 111 Q 8.71 4.69 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 112 V 8.97 4.77 2.16 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 0.83 0.00 0.00 0.53 0.00 0.00 113 T 8.74 4.92 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 1.23 0.00 0.00 114 V 8.76 5.30 2.18 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 0.78 0.00 0.00 0.98 0.00 0.00 115 S 8.17 4.58 0.00 3.87 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 0.00 116 S 8.59 4.29 0.00 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