NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4433 8.3144 122.0578 56.4820 33.6699 175.2735 4 C 4.9024 8.8759 126.5296 54.1420 45.0075 171.1808 5 S 4.8857 9.9692 123.1777 56.5664 63.7737 173.8623 6 L 4.0177 8.4843 126.1252 57.4524 41.6043 178.0816 7 T 4.0694 7.7236 115.8484 63.3905 69.1561 174.3817 8 G 3.7851 7.2578 111.7992 43.8240 0.0000 171.3219 9 K 4.9609 7.7652 118.8490 54.3640 34.6849 175.8742 10 W 5.5219 9.7849 124.3096 55.2507 33.6677 174.1670 11 T 5.3683 9.2439 115.4693 60.5834 71.0196 172.1073 12 N 6.0237 8.9734 122.9673 49.5414 40.4768 174.8535 13 D 4.3384 8.6772 117.4906 56.0551 39.3126 177.4203 14 L 4.1766 7.9865 117.9137 55.3215 42.1031 177.4066 15 G 4.0544 8.2874 106.8435 44.8155 0.0000 173.9057 16 S 4.5882 8.5898 116.4881 58.4236 64.1772 173.1118 17 N 5.6905 8.6336 120.3287 51.9769 41.9886 173.5335 18 M 5.0726 9.1257 117.8359 54.3649 35.1730 173.6050 19 T 5.0954 8.8281 117.9984 61.8750 72.1826 173.0711 20 I 4.7277 8.4574 126.0342 59.5139 40.4705 175.9243 21 G 4.1884 8.5777 117.5590 45.9946 0.0000 172.6649 22 A 4.4216 8.8586 124.2744 50.9070 19.4890 177.3885 23 V 5.0353 8.3378 121.2101 59.4858 33.0284 176.1987 24 N 4.7578 8.4999 121.8785 51.6103 38.8245 175.5419 25 S 4.0835 8.5971 111.9345 61.1668 62.7970 175.1791 26 R 4.2299 8.4683 118.4740 56.0439 30.2393 177.2790 27 G 4.0580 8.6083 108.1286 44.9708 0.0000 173.3160 28 E 4.8088 8.0410 119.5123 56.2443 31.2247 175.5018 29 F 5.3023 8.0182 116.0996 56.2086 42.0964 172.6774 30 T 4.8670 8.2542 108.8446 60.3774 73.0485 172.4974 31 G 4.3606 7.7137 105.4981 46.6560 0.0000 172.2545 32 T 5.2937 8.4370 109.2671 60.0461 72.7183 172.4004 33 Y 4.8216 9.4898 124.3993 56.3738 42.1730 174.2321 34 T 4.9468 8.6917 124.3702 61.8412 69.7581 173.4718 35 T 4.5047 8.9198 120.3510 61.8923 68.2105 174.3536 36 A 4.3661 8.6220 129.9784 53.1554 19.3948 177.7920 37 V 4.5798 7.2857 107.8878 59.8721 35.3455 174.9188 38 T 4.5033 7.9472 114.3588 60.7128 70.1453 173.7561 39 A 4.1658 8.4155 129.5401 53.5991 19.1338 177.5889 40 T 4.3739 7.6884 106.2866 60.7705 70.7549 174.7965 41 S 4.6385 8.4339 114.2525 58.2641 62.6814 173.5146 42 N 4.7851 7.8692 116.2298 51.5636 39.5730 174.2572 43 E 4.1152 8.4052 120.7824 55.5796 30.3633 176.2457 44 I 2.3814 7.8490 127.2276 60.4851 37.8492 175.4538 45 K 4.6620 7.4393 123.2745 53.8911 35.4471 175.5938 46 E 4.4340 8.7875 122.6798 57.0472 30.3500 176.1577 47 S 5.0721 9.3068 121.2557 56.0700 67.6943 171.8281 48 P 5.0963 0.0000 0.0000 62.5184 33.2249 174.8067 49 L 5.2519 8.4768 120.4519 54.4822 44.4123 174.9714 50 H 5.0662 9.0419 116.7878 54.5204 33.2805 173.0656 51 G 3.6299 7.9425 108.8045 46.0427 0.0000 171.0839 52 T 5.0812 8.6637 114.7387 62.2410 73.3696 172.7457 53 E 5.1527 9.0414 126.8327 54.2785 31.8163 175.0763 54 N 4.5277 9.0299 126.1529 53.8861 39.6851 174.7749 55 T 4.4146 8.4157 114.3693 61.4375 69.8728 174.4930 56 I 3.9087 7.7640 124.6974 62.9393 37.3471 175.8068 57 N 4.2558 9.0446 120.6264 52.7630 36.2309 174.2191 58 K 3.8023 7.8600 116.0172 56.7937 30.3241 175.4642 59 R 4.0149 7.8744 116.8397 57.0079 30.9437 176.1455 60 T 4.2478 8.4468 113.0519 63.4677 69.7289 173.7514 61 Q 5.2878 7.7732 120.1441 52.2400 28.7367 173.0033 62 P 4.6813 0.0000 0.0000 62.3916 33.7834 176.7572 63 T 4.7218 8.3634 111.2041 61.6994 71.0120 172.9872 64 F 5.3737 8.1653 116.4692 56.4542 41.8777 172.9108 65 G 4.6887 9.6205 105.7513 45.2751 0.0000 171.7818 66 F 5.4976 9.0265 115.3968 55.9802 41.9394 172.8618 67 T 5.0595 9.2452 117.7037 61.9071 71.5263 173.2968 68 V 4.2392 8.8463 126.6395 61.3058 33.2847 174.3363 69 N 4.4604 8.1519 128.1474 51.3423 37.7377 173.4056 70 W 4.4305 7.6287 122.8344 56.7137 29.6446 176.8321 71 K 4.3766 8.9773 122.3458 57.1994 32.0299 177.4183 72 F 4.9564 7.8623 112.5880 56.1618 38.2543 174.3606 73 S 4.4393 7.2608 114.3759 58.1392 65.2823 173.5425 74 E 4.3719 8.4260 117.6658 56.5651 28.0274 176.8090 75 S 4.8085 7.6829 116.3264 58.6093 64.7554 173.1807 76 T 5.0648 8.8843 116.7198 62.3724 72.9542 173.4235 77 T 5.1743 8.5132 120.5336 61.9089 72.5315 173.3207 78 V 4.9143 8.6871 118.4637 59.5879 35.1053 174.6707 79 F 5.2941 9.0705 122.5330 55.9519 42.3699 174.1456 80 T 4.6366 8.7813 116.9389 60.6856 71.1936 173.3650 81 G 4.1731 7.1515 111.4481 47.0122 0.0000 171.5339 82 Q 4.9004 7.9823 120.5646 54.6957 33.1135 175.9841 83 C 4.6833 9.0236 126.5179 55.9226 45.0700 172.1707 84 F 5.1159 9.2270 125.8026 56.1854 41.3453 175.6549 85 I 4.6661 8.8635 123.3452 59.7314 37.7037 175.2291 86 D 4.5815 9.2161 128.3481 54.3054 41.9637 177.4882 87 R 4.0930 8.6564 120.3206 58.3883 30.2536 176.5075 88 N 4.5975 8.1076 113.8631 53.3492 38.6506 175.9713 89 G 3.9623 8.0840 106.8517 45.2511 0.0000 173.5126 90 K 4.6880 7.5348 118.6879 55.0032 35.3135 175.4595 91 E 4.9298 8.7449 121.8232 56.4847 30.5884 176.3632 92 V 4.8841 9.0324 122.9075 61.3653 35.6201 173.7489 93 L 5.1376 9.0411 127.7054 53.2952 43.8414 175.4425 94 K 5.0589 8.9646 124.4873 55.2330 33.9929 176.0434 95 T 5.3406 9.1723 114.6834 60.2774 72.8664 172.6909 96 M 5.2537 9.1542 121.5410 53.3647 36.1285 174.6650 97 W 5.4373 8.3248 117.9173 54.7529 32.6289 173.7166 98 L 5.1070 8.7812 120.1395 52.9831 44.7362 175.2511 99 L 4.9780 9.2682 126.7055 53.5214 44.1485 174.8272 100 R 4.9526 9.3997 128.4309 55.0737 31.5328 175.6354 101 S 5.0894 9.0258 123.0688 56.7528 64.7611 173.6935 102 S 4.7170 8.4097 116.4005 57.2448 64.3185 173.9232 103 V 4.4475 8.2166 115.4090 59.6667 34.3832 175.3940 104 N 4.6050 8.5158 117.7265 54.4393 39.2723 175.2825 105 D 4.8932 7.6338 116.8675 51.4075 44.3210 175.9224 106 I 3.9300 8.3917 124.4680 63.2584 37.7969 178.0237 107 G 3.8195 8.8710 105.8009 47.0628 0.0000 174.3647 108 D 4.8188 7.9811 119.8741 54.1406 41.3092 177.3668 109 D 4.3316 7.8028 121.0071 57.1474 40.8717 178.2491 110 W 4.3051 8.3582 115.4564 58.6088 28.0414 176.5727 111 K 3.8103 6.4161 114.8660 56.1432 32.0984 176.5267 112 A 4.1558 7.6555 122.0784 53.1642 18.7249 177.0091 113 T 5.0126 7.5392 112.7726 61.8711 71.1252 173.8596 114 R 4.8173 8.9598 126.0217 54.7505 32.7756 175.9045 115 V 4.3888 7.7530 119.6889 60.1257 34.8774 174.7155 116 G 3.1066 5.7965 107.6134 45.8064 0.0000 171.3938 117 I 5.1739 7.8927 112.6506 59.4387 41.1868 174.3974 118 N 5.1734 8.9053 116.5506 52.5059 43.7219 173.9461 119 I 5.2126 9.2622 123.7205 59.6466 40.3929 174.5888 120 F 5.7532 9.4945 125.4816 56.0420 42.2408 174.6479 121 T 5.4637 9.1783 111.2672 59.7396 72.6278 173.3710 122 R 3.9035 8.7567 122.0350 56.4630 30.7433 176.4725 123 L 4.2277 8.2112 124.8544 55.2272 41.7138 176.1545 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 3 K 8.31 4.44 0.00 1.78 1.79 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.52 7.81 4 C 8.88 4.90 0.00 3.11 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 5 S 9.97 4.89 0.00 3.88 3.71 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 6 L 8.48 4.02 0.00 1.26 1.05 -0.33 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.72 4.07 4.19 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 0.00 0.00 0.00 1.20 0.00 0.00 8 G 7.26 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 9 K 7.77 4.96 0.00 1.51 1.60 0.00 1.53 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.29 7.81 10 W 9.78 5.52 0.00 3.15 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 11 T 9.24 5.37 4.31 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 1.35 0.00 0.00 12 N 8.97 6.02 0.00 2.20 1.42 0.00 0.00 6.63 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 13 D 8.68 4.34 0.00 2.82 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 14 L 7.99 4.18 0.00 1.88 1.80 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.29 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 16 S 8.59 4.59 0.00 4.02 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 17 N 8.63 5.69 0.00 2.59 2.66 0.00 0.00 6.51 7.70 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 18 M 9.13 5.07 0.00 1.64 1.77 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 19 T 8.83 5.10 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 1.17 0.00 0.00 20 I 8.46 4.73 1.91 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.52 0.49 0.00 0.00 21 G 8.58 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.86 4.42 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 23 V 8.34 5.04 2.24 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 0.49 0.00 0.00 1.01 0.00 0.00 24 N 8.50 4.76 0.00 2.99 3.05 0.00 0.00 6.01 7.64 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 25 S 8.60 4.08 0.00 4.01 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 26 R 8.47 4.23 0.00 1.98 2.01 0.00 3.16 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 27 G 8.61 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 28 E 8.04 4.81 0.00 1.93 1.79 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 2.36 2.44 0.00 29 F 8.02 5.30 0.00 3.02 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 30 T 8.25 4.87 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 1.21 0.00 0.00 31 G 7.71 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 5.29 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 1.21 0.00 0.00 33 Y 9.49 4.82 0.00 2.93 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 34 T 8.69 4.95 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 1.24 0.00 0.00 35 T 8.92 4.50 4.71 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 1.32 0.00 0.00 36 A 8.62 4.37 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 37 V 7.29 4.58 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 0.72 0.00 0.00 0.93 0.00 0.00 38 T 7.95 4.50 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 39 A 8.42 4.17 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 40 T 7.69 4.37 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 1.14 0.00 0.00 41 S 8.43 4.64 0.00 3.81 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 42 N 7.87 4.79 0.00 3.04 2.91 0.00 0.00 6.82 7.82 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 43 E 8.41 4.12 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 44 I 7.85 2.38 1.57 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.27 0.56 0.00 0.00 45 K 7.44 4.66 0.00 1.90 1.83 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 46 E 8.79 4.43 0.00 2.04 1.92 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 2.37 2.43 0.00 47 S 9.31 5.07 0.00 3.88 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 48 P 0.00 5.10 0.00 2.08 2.16 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 49 L 8.48 5.25 0.00 1.86 1.65 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 50 H 9.04 5.07 0.00 2.99 3.07 0.00 5.60 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 51 G 7.94 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.66 5.08 4.19 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 0.00 0.00 0.00 1.25 0.00 0.00 53 E 9.04 5.15 0.00 2.19 2.12 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 2.32 2.34 0.00 54 N 9.03 4.53 0.00 2.76 2.75 0.00 0.00 7.13 7.24 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 55 T 8.42 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 1.29 0.00 0.00 56 I 7.76 3.91 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.42 0.92 0.00 0.00 57 N 9.04 4.26 0.00 2.90 2.97 0.00 0.00 7.29 7.61 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 58 K 7.86 3.80 0.00 1.89 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.51 7.81 59 R 7.87 4.01 0.00 1.77 1.85 0.00 3.15 0.00 0.00 3.51 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 60 T 8.45 4.25 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 1.23 0.00 0.00 61 Q 7.77 5.29 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 62 P 0.00 4.68 0.00 2.18 2.19 0.00 3.68 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 2.12 1.98 0.00 63 T 8.36 4.72 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 1.14 0.00 0.00 64 F 8.17 5.37 0.00 3.57 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 65 G 9.62 4.69 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 66 F 9.03 5.50 0.00 3.22 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 67 T 9.25 5.06 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 1.21 0.00 0.00 68 V 8.85 4.24 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 -0.87 0.00 0.00 0.75 0.00 0.00 69 N 8.15 4.46 0.00 2.74 2.66 0.00 0.00 7.29 7.25 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 70 W 7.63 4.43 0.00 3.10 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.98 4.38 0.00 1.97 2.04 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.49 7.81 72 F 7.86 4.96 0.00 3.23 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 73 S 7.26 4.44 0.00 3.75 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 4.37 0.00 1.95 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 2.25 2.29 0.00 75 S 7.68 4.81 0.00 3.76 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 76 T 8.88 5.06 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 1.18 0.00 0.00 77 T 8.51 5.17 4.41 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 1.05 0.00 0.00 78 V 8.69 4.91 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 0.83 0.00 0.00 0.96 0.00 0.00 79 F 9.07 5.29 0.00 1.51 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 80 T 8.78 4.64 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 81 G 7.15 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 82 Q 7.98 4.90 0.00 1.84 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.94 0.00 0.00 0.00 0.00 0.00 1.49 2.14 0.00 83 C 9.02 4.68 0.00 3.11 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 84 F 9.23 5.12 0.00 3.09 2.94 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 85 I 8.86 4.67 1.97 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 1.20 0.88 0.98 0.00 0.00 86 D 9.22 4.58 0.00 2.85 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 87 R 8.66 4.09 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 88 N 8.11 4.60 0.00 2.91 2.85 0.00 0.00 7.02 7.97 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 89 G 8.08 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 0.00 0.00 0.00 90 K 7.53 4.69 0.00 1.89 1.96 0.00 1.53 0.00 0.00 2.00 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.64 7.81 91 E 8.74 4.93 0.00 2.09 2.34 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 2.48 2.42 0.00 92 V 9.03 4.88 2.28 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 1.23 0.00 0.00 1.07 0.00 0.00 93 L 9.04 5.14 0.00 1.78 1.72 -0.53 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.96 5.06 0.00 2.00 1.90 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.77 1.65 7.81 95 T 9.17 5.34 4.71 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 1.63 0.00 0.00 96 M 9.15 5.25 0.00 1.75 1.86 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 97 W 8.32 5.44 0.00 2.71 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 0.00 0.00 0.00 98 L 8.78 5.11 0.00 1.61 1.60 0.90 0.25 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 99 L 9.27 4.98 0.00 1.70 1.79 0.86 0.47 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 0.00 100 R 9.40 4.95 0.00 1.95 1.93 0.00 3.30 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 101 S 9.03 5.09 0.00 3.72 3.71 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 0.00 102 S 8.41 4.72 0.00 3.85 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 0.00 103 V 8.22 4.45 2.03 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 0.66 0.00 0.00 0.96 0.00 0.00 104 N 8.52 4.60 0.00 2.70 2.86 0.00 0.00 6.62 8.06 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 0.00 105 D 7.63 4.89 0.00 2.70 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 3.93 1.88 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 1.60 1.21 0.93 0.00 0.00 107 G 8.87 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 0.00 0.00 0.00 108 D 7.98 4.82 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.80 4.33 0.00 2.84 2.78 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 0.00 110 W 8.36 4.31 0.00 3.58 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 0.00 111 K 6.42 3.81 0.00 1.07 0.74 0.00 1.19 0.00 0.00 1.10 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.76 7.81 112 A 7.66 4.16 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 0.00 113 T 7.54 5.01 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 0.00 114 R 8.96 4.82 0.00 2.02 2.04 0.00 3.13 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 115 V 7.75 4.39 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 0.54 0.00 0.00 0.67 0.00 0.00 116 G 5.80 3.11 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 0.00 117 I 7.89 5.17 1.97 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 1.32 0.63 0.81 0.00 0.00 118 N 8.91 5.17 0.00 3.25 2.60 0.00 0.00 7.25 7.25 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 0.00 119 I 9.26 5.21 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 1.02 0.00 0.00 120 F 9.49 5.75 0.00 2.80 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 0.00 121 T 9.18 5.46 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 122 R 8.76 3.90 0.00 1.52 1.59 0.00 2.94 0.00 0.00 2.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 123 L 8.21 4.23 0.00 1.62 1.45 0.92 0.79 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