NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4715 8.3344 116.7956 57.8932 64.5588 172.7190 2 N 4.3065 7.9405 122.6816 53.3903 43.7795 173.6651 3 I 4.0454 8.7106 118.4003 62.9889 40.3067 176.6966 4 I 3.9370 7.4609 122.4259 61.1448 36.9457 174.2746 5 K 3.8083 8.3327 118.6664 58.2038 32.0485 177.3523 6 Q 3.5690 7.8820 117.6082 59.4820 28.8017 179.0999 7 L 4.1944 7.5315 119.6042 57.2582 42.4509 178.2547 8 E 4.1879 7.8469 118.2930 59.0106 29.4978 178.4326 9 Q 4.1515 8.8219 117.6948 57.7807 28.5224 176.9261 10 E 4.2895 7.3742 115.4286 57.2285 30.1126 176.5989 11 Q 4.5169 8.3268 118.5608 56.7993 31.0678 176.3230 12 M 4.0102 7.2078 117.0131 54.9929 32.4460 176.4826 13 K 4.4117 8.5690 121.6359 56.6387 33.0718 176.6202 14 Q 4.6780 8.5171 118.2156 55.7795 29.9610 175.8671 15 D 4.7792 8.1236 116.0749 52.5830 40.7922 175.8096 16 V 3.4633 7.9614 113.4791 61.1542 31.3357 174.2059 17 P 4.5328 0.0000 0.0000 61.8679 32.4141 175.3733 18 S 4.3118 8.2854 113.0050 57.4685 64.4819 170.7298 19 F 4.4802 8.7587 124.7582 56.5391 38.8104 177.1933 20 R 4.0808 9.6525 127.9764 56.4834 30.9414 172.2005 21 P 4.4829 0.0000 0.0000 64.7050 31.5685 175.7530 22 G 4.0272 9.1385 108.8085 45.7807 0.0000 173.6847 23 D 4.6955 8.0781 119.2233 54.6706 41.3447 176.4150 24 T 4.3168 7.8951 113.1716 62.6423 68.6157 176.0659 25 V 3.6234 6.9910 116.6422 61.8683 31.5353 172.6781 26 E 4.7962 8.1837 128.8206 54.3312 31.8761 174.3603 27 V 4.3434 8.6675 128.4652 61.9408 32.7226 175.5108 28 K 4.7708 8.9080 127.9829 56.0616 33.9300 177.1086 29 V 4.3780 7.7525 121.0977 61.8353 34.6902 173.0253 30 W 4.8947 8.5093 129.1028 57.1955 29.7114 176.5048 31 V 4.4630 8.7463 122.6818 60.5749 34.6670 174.0528 32 V 4.2104 8.9303 124.8440 62.4507 31.1882 175.6588 33 E 3.2602 8.7048 122.3376 58.3427 29.6222 177.8696 34 G 4.2574 9.0242 103.4414 46.4607 0.0000 173.8316 35 S 4.5790 7.9923 110.3267 57.6391 66.2749 173.3560 36 K 4.6928 7.9701 119.8334 54.6538 34.8803 175.5923 37 K 5.2997 8.3397 117.5839 55.2783 31.9126 175.3640 38 R 4.7533 7.8835 123.3633 55.9075 33.2461 176.1550 39 L 4.7679 8.1478 117.8421 53.8549 43.3367 176.1211 40 Q 4.6707 8.6613 122.1182 54.2242 32.0454 174.4769 41 A 4.5604 8.6180 127.5686 51.6433 20.0456 176.3556 42 F 4.7491 9.3545 122.5543 56.4800 43.1082 173.2115 43 E 4.9915 7.9320 125.7508 54.6641 32.6780 174.3610 44 G 3.9995 7.8814 112.2705 46.0676 0.0000 172.3748 45 V 4.1859 7.7652 120.1101 62.4314 32.8515 175.8131 46 V 4.5456 8.6577 128.5484 63.0251 32.1185 176.0441 47 I 4.5672 9.0134 119.6905 60.7808 39.8568 174.7671 48 A 4.8045 7.7812 123.1877 51.0353 22.6977 175.0195 49 I 4.6663 8.1616 119.9300 60.2840 40.3205 174.3790 50 R 3.2996 9.4638 120.7542 56.8297 28.5533 175.6235 51 N 4.1536 9.2474 116.2710 52.1392 36.2491 175.2342 52 R 4.6817 9.9173 122.0282 56.9825 34.6522 175.7578 53 G 4.2669 7.6431 116.3080 46.0116 0.0000 175.1679 54 L 3.8298 8.5848 124.4449 57.9801 41.8076 177.0880 55 H 4.7992 8.3210 113.7086 56.0306 29.1033 175.5711 56 S 4.5142 8.1131 117.4462 59.0412 63.8794 173.2520 57 A 5.2979 8.5707 123.6138 50.9345 22.6996 174.9099 58 F 5.5743 8.6152 114.9044 55.3805 42.1648 173.9296 59 T 5.1476 8.8914 116.0123 61.8488 71.3044 173.3139 60 V 5.0220 9.2342 126.8838 61.1782 34.3916 174.0056 61 R 5.0008 9.3335 128.8810 55.0355 31.4931 176.1964 62 K 4.0402 8.5962 125.1799 56.0346 34.7324 175.9853 63 I 3.4359 7.7912 116.9848 62.3343 34.0132 172.6213 64 S 4.1477 8.3654 114.9867 58.2837 63.3957 175.5134 65 N 3.9382 7.4897 122.8383 54.4069 36.2222 172.2699 66 G 3.9235 8.3730 116.9494 44.8833 0.0000 172.5037 67 E 4.7880 8.9722 125.0388 53.9524 33.7497 174.7675 68 G 3.9618 8.6398 106.3545 46.4606 0.0000 173.8145 69 V 4.6799 8.2857 113.5793 59.4902 35.8036 174.2101 70 E 5.2364 8.9265 124.3614 54.7806 31.7821 175.3155 71 R 4.2183 8.8249 123.2686 54.3993 33.5177 174.4491 72 V 4.6081 7.8738 119.1751 59.6497 33.0979 175.0902 73 F 4.1930 8.2528 125.3869 56.5183 40.6169 175.9710 74 Q 4.1336 8.5902 122.2923 55.1569 28.1474 176.4471 75 T 3.9938 8.7680 119.0993 65.7685 67.4059 175.1263 76 H 4.6430 8.1181 113.7287 56.2427 28.6059 175.1979 77 S 4.4621 8.2820 115.8544 57.1859 62.8038 173.5851 78 P 4.4226 0.0000 0.0000 65.6235 31.5051 177.9694 79 V 4.0484 8.2665 110.8384 62.8422 31.7652 178.3482 80 V 3.5374 7.7737 120.2856 65.6479 31.3964 175.3559 81 D 5.0145 8.3715 121.1486 53.8932 40.8333 173.2039 82 S 4.7002 7.3935 110.6806 56.4346 66.0933 171.7887 83 I 5.0341 8.4690 126.4875 59.3031 40.6636 173.9955 84 S 4.8307 8.9212 123.1619 56.8929 66.8338 175.2077 85 V 3.6347 8.4297 117.9502 63.9389 32.2339 177.5105 86 K 4.2438 9.1319 123.1820 55.1170 30.2516 176.3138 87 R 4.6290 7.3070 116.8644 54.7427 34.1481 173.2390 88 R 4.4593 8.7422 125.3563 54.7485 31.8773 174.6328 89 G 4.5083 8.8927 113.5635 44.2409 0.0000 171.2454 90 A 4.8646 8.5279 123.6327 50.3234 20.0066 177.2540 91 V 4.1971 8.4535 112.8746 60.7399 35.7694 175.6345 92 R 3.4450 8.2245 108.4277 57.1777 27.2674 173.2112 93 K 4.5849 7.7208 128.3107 55.9693 34.0927 174.3339 94 A 4.2392 8.2817 129.5580 53.5641 19.4449 177.4995 95 K 4.3560 7.7171 114.9319 54.7565 33.8971 176.3697 96 L 4.7965 8.8063 128.4305 55.1930 42.1827 178.8721 97 Y 4.5447 7.8232 118.6079 61.0742 38.1798 176.9976 98 Y 4.2673 8.5594 118.1900 59.5985 37.8113 178.0383 99 L 3.7968 6.8628 119.8886 57.5959 41.6453 179.1967 100 R 4.0864 8.0379 117.4489 57.9624 30.5495 176.8421 101 E 4.6833 7.9123 118.6982 56.5307 29.5998 175.9136 102 R 4.2381 7.5375 116.1141 57.4237 32.8602 174.4790 103 T 3.0030 8.5642 115.0135 62.7083 67.0633 172.0880 104 G 3.5914 9.1284 115.5594 46.1320 0.0000 174.1536 105 K 3.5272 8.0392 112.4286 58.3234 32.6316 176.8600 106 A 4.1149 8.6565 123.8091 54.1147 18.8257 178.4273 107 A 4.2441 7.6917 118.0231 54.0589 19.4157 178.4775 108 R 4.1103 7.3860 113.9334 56.5622 30.7188 176.0878 109 I 4.6068 7.8183 112.6088 58.5528 40.3689 175.1573 110 K 4.0191 8.4922 123.2627 56.6387 33.4554 175.3613 111 E 4.9347 8.5787 120.7998 55.4886 31.1439 176.3105 112 R 4.1595 9.0556 120.3151 55.7223 31.0481 177.1552 113 L 3.6204 7.9117 115.9906 56.3524 38.8863 174.0572 114 N 4.5402 7.6188 120.4828 53.8136 37.3775 175.1887 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 8.33 4.47 0.00 3.88 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 2 N 7.94 4.31 0.00 2.67 2.75 0.00 0.00 7.10 7.06 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 3 I 8.71 4.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.22 0.91 0.00 0.00 4 I 7.46 3.94 1.87 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 1.31 0.79 0.91 0.00 0.00 5 K 8.33 3.81 0.00 1.95 1.70 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 6 Q 7.88 3.57 0.00 2.36 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 7 L 7.53 4.19 0.00 1.93 1.66 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.85 4.19 0.00 2.00 1.89 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 2.34 2.33 0.00 9 Q 8.82 4.15 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 10 E 7.37 4.29 0.00 2.16 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 0.00 2.44 2.33 0.00 11 Q 8.33 4.52 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 12 M 7.21 4.01 0.00 1.65 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.15 0.00 13 K 8.57 4.41 0.00 1.86 1.81 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.54 1.65 7.81 14 Q 8.52 4.68 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 15 D 8.12 4.78 0.00 2.74 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 16 V 7.96 3.46 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 0.74 0.00 0.00 0.94 0.00 0.00 17 P 0.00 4.53 0.00 2.23 2.10 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 18 S 8.29 4.31 0.00 3.78 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 19 F 8.76 4.48 0.00 2.94 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 20 R 9.65 4.08 0.00 1.93 2.25 0.00 3.22 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 21 P 0.00 4.48 0.00 2.23 2.10 0.00 3.82 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 2.02 2.09 0.00 22 G 9.14 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 23 D 8.08 4.70 0.00 2.86 2.59 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 24 T 7.90 4.32 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 1.30 0.00 0.00 25 V 6.99 3.62 1.65 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 0.74 0.00 0.00 0.57 0.00 0.00 26 E 8.18 4.80 0.00 2.00 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 2.24 2.24 0.00 27 V 8.67 4.34 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 0.48 0.00 0.00 0.49 0.00 0.00 28 K 8.91 4.77 0.00 1.62 1.49 0.00 1.59 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.33 7.81 29 V 7.75 4.38 2.31 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 0.95 0.00 0.00 1.08 0.00 0.00 30 W 8.51 4.89 0.00 3.28 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 31 V 8.75 4.46 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 0.78 0.00 0.00 0.98 0.00 0.00 32 V 8.93 4.21 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 0.84 0.00 0.00 0.96 0.00 0.00 33 E 8.70 3.26 0.00 1.95 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 0.00 2.35 2.39 0.00 34 G 9.02 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 0.00 0.00 0.00 0.00 35 S 7.99 4.58 0.00 3.82 3.84 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 0.00 0.00 0.00 36 K 7.97 4.69 0.00 1.83 1.75 0.00 1.65 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.41 7.81 37 K 8.34 5.30 0.00 1.80 1.81 0.00 1.21 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.20 7.81 38 R 7.88 4.75 0.00 1.90 2.20 0.00 3.13 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 39 L 8.15 4.77 0.00 1.22 1.25 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.66 4.67 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 41 A 8.62 4.56 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 42 F 9.35 4.75 0.00 3.18 3.01 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 43 E 7.93 4.99 0.00 1.90 1.62 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 0.00 2.12 2.39 0.00 44 G 7.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 4.19 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 0.92 0.00 0.00 46 V 8.66 4.55 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 1.11 0.00 0.00 0.82 0.00 0.00 47 I 9.01 4.57 1.90 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 1.43 0.94 1.00 0.00 0.00 48 A 7.78 4.80 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 49 I 8.16 4.67 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.86 1.00 0.00 0.00 50 R 9.46 3.30 0.00 1.80 2.04 0.00 3.29 0.00 0.00 3.30 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 51 N 9.25 4.15 0.00 2.94 2.96 0.00 0.00 6.68 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 52 R 9.92 4.68 0.00 1.78 1.87 0.00 3.47 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 1.70 1.74 0.00 53 G 7.64 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 0.00 0.00 0.00 0.00 54 L 8.58 3.83 0.00 1.49 1.53 0.88 0.97 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 55 H 8.32 4.80 0.00 3.34 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.11 4.51 0.00 3.95 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 57 A 8.57 5.30 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 58 F 8.62 5.57 0.00 3.33 3.33 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 59 T 8.89 5.15 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 1.31 0.00 0.00 60 V 9.23 5.02 2.50 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 1.45 0.00 0.00 1.34 0.00 0.00 61 R 9.33 5.00 0.00 1.91 1.80 0.00 3.26 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 62 K 8.60 4.04 0.00 1.77 1.72 0.00 0.61 0.00 0.00 1.40 0.00 0.00 2.62 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.10 1.18 7.81 63 I 7.79 3.44 1.85 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 1.30 0.55 0.90 0.00 0.00 64 S 8.37 4.15 0.00 3.77 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 65 N 7.49 3.94 0.00 2.90 2.94 0.00 0.00 6.21 7.00 0.00 0.00 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 G 8.37 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 67 E 8.97 4.79 0.00 1.92 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 2.17 2.33 0.00 68 G 8.64 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 69 V 8.29 4.68 2.14 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 0.98 0.00 0.00 1.18 0.00 0.00 70 E 8.93 5.24 0.00 1.83 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 2.28 2.31 0.00 71 R 8.82 4.22 0.00 1.08 0.66 0.00 2.36 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 0.50 0.81 0.00 72 V 7.87 4.61 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 0.73 0.00 0.00 0.77 0.00 0.00 73 F 8.25 4.19 0.00 1.86 2.63 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 74 Q 8.59 4.13 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 75 T 8.77 3.99 4.73 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 1.61 0.00 0.00 76 H 8.12 4.64 0.00 3.26 3.35 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.28 4.46 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 78 P 0.00 4.42 0.00 2.11 2.13 0.00 3.78 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 2.05 2.15 0.00 79 V 8.27 4.05 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 0.84 0.00 0.00 1.03 0.00 0.00 80 V 7.77 3.54 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 0.80 0.00 0.00 1.01 0.00 0.00 81 D 8.37 5.01 0.00 3.17 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 82 S 7.39 4.70 0.00 3.84 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 83 I 8.47 5.03 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.86 1.00 0.00 0.00 84 S 8.92 4.83 0.00 3.85 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 85 V 8.43 3.63 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 0.74 0.00 0.00 0.96 0.00 0.00 86 K 9.13 4.24 0.00 1.91 2.06 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.31 7.81 87 R 7.31 4.63 0.00 1.81 1.67 0.00 3.10 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 88 R 8.74 4.46 0.00 1.89 1.78 0.00 3.22 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 89 G 8.89 4.51 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 0.00 0.00 0.00 90 A 8.53 4.86 1.27 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 0.00 0.00 0.00 91 V 8.45 4.20 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 0.87 0.00 0.00 0.99 0.00 0.00 92 R 8.22 3.45 0.00 1.98 2.01 0.00 3.11 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 93 K 7.72 4.58 0.00 1.92 1.92 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 1.21 7.81 94 A 8.28 4.24 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 95 K 7.72 4.36 0.00 1.42 0.74 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.11 1.03 7.81 96 L 8.81 4.80 0.00 1.65 1.52 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.82 4.54 0.00 3.13 2.96 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 98 Y 8.56 4.27 0.00 3.24 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 99 L 6.86 3.80 0.00 1.60 1.65 0.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.04 4.09 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 101 E 7.91 4.68 0.00 2.04 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 2.30 2.31 0.00 102 R 7.54 4.24 0.00 1.90 1.89 0.00 3.74 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 103 T 8.56 3.00 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 0.00 104 G 9.13 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 0.00 105 K 8.04 3.53 0.00 1.88 1.77 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.36 7.81 106 A 8.66 4.11 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 0.00 107 A 7.69 4.24 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 0.00 108 R 7.39 4.11 0.00 1.79 1.90 0.00 3.10 0.00 0.00 3.42 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 109 I 7.82 4.61 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.94 0.00 0.00 110 K 8.49 4.02 0.00 1.71 1.83 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.48 7.81 111 E 8.58 4.93 0.00 1.82 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 2.24 2.38 0.00 112 R 9.06 4.16 0.00 1.78 1.98 0.00 3.27 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 113 L 7.91 3.62 0.00 1.82 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 114 N 7.62 4.54 0.00 2.76 2.75 0.00 0.00 6.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00