NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4341 8.1727 122.0838 55.0781 33.9510 174.0949 2 V 4.8849 7.6298 119.3355 61.0266 35.3003 173.7057 3 Y 4.8401 10.2069 125.3724 58.1742 42.9904 173.7175 4 E 5.1529 9.0978 123.3632 55.1590 32.5921 177.4541 5 R 3.9486 8.8721 116.3997 60.7214 29.3843 178.3119 6 C 4.1658 8.8878 116.8734 59.0821 39.2975 176.0570 7 E 3.7558 8.1473 118.8174 59.6841 29.6916 179.2877 8 F 3.9116 9.4881 117.6419 60.9052 39.2443 177.7552 9 A 4.2398 8.7808 120.1370 55.4325 18.2235 179.2266 10 R 3.8199 8.5475 117.1227 60.1449 30.0225 178.4558 11 T 3.7865 8.6674 115.5332 66.6450 68.4755 175.8571 12 L 3.7702 8.5485 123.0466 58.4669 41.7989 179.2129 13 K 3.9032 8.3218 117.9110 59.3061 32.1702 178.4182 14 R 4.0293 8.2135 118.6522 58.5896 30.0152 177.3084 15 N 4.5239 8.3072 116.8597 55.2733 39.8188 175.3543 16 G 4.3656 8.4030 109.4493 47.0173 0.0000 173.9156 17 M 4.3862 8.1478 118.2159 56.1132 34.7325 173.8895 18 A 4.2655 7.9170 121.4161 54.0508 18.2311 176.7938 19 G 3.8889 9.2883 111.9123 46.6502 0.0000 172.2650 20 Y 4.6105 8.5499 121.3582 57.5842 39.2131 175.5809 21 Y 3.9851 7.3045 117.4944 60.6865 37.7570 176.9842 22 G 3.9964 8.0146 103.5504 46.6330 0.0000 172.7806 23 V 3.5757 7.9220 118.5747 63.0297 32.0356 175.3676 24 S 4.7670 8.3756 120.0838 57.0021 64.8518 174.6431 25 L 4.1772 8.4937 127.6480 58.3460 41.9468 179.0700 26 A 3.9518 7.9761 120.1121 55.5294 18.1292 179.2682 27 D 3.4322 7.5449 116.6051 56.4803 40.5676 178.8344 28 W 4.4848 7.9779 119.9148 59.7080 29.0908 178.5394 29 V 3.3628 8.2731 118.4762 66.0264 31.0222 175.3435 30 C 3.6810 8.0990 114.3364 58.4025 40.6694 175.3976 31 L 3.5849 8.2094 123.8999 57.7395 41.6260 179.0148 32 A 3.1370 7.8907 120.4704 54.3387 17.7881 179.5161 33 Q 3.4004 7.6399 118.0530 59.6396 29.2947 177.6243 34 H 4.0683 8.2857 117.9293 58.8981 29.8140 176.9682 35 E 4.0985 7.7317 119.9453 57.5458 29.4756 176.9374 36 S 4.5162 8.3643 121.2646 59.2312 68.0042 178.5716 37 N 4.0508 8.6854 116.9320 55.2588 39.9300 174.2736 38 Y 3.9672 8.5622 117.8728 59.7426 37.5447 172.9310 39 N 5.2104 9.5084 122.8605 53.6237 40.1652 175.4049 40 T 4.4765 8.9080 115.0107 61.2325 68.5202 174.8539 41 R 4.1517 7.9145 122.3855 58.8552 31.6554 174.2406 42 A 4.2487 7.9707 122.7601 52.0063 18.9690 176.2602 43 T 4.9814 8.4567 110.2394 60.9569 72.2311 173.8229 44 N 5.0106 9.7679 123.6383 51.8800 39.9975 172.6337 45 Y 5.2543 8.2451 121.7891 55.2892 40.7553 175.7013 46 N 4.0489 8.7448 116.6614 52.9642 42.0040 175.5601 47 R 3.6210 8.8736 126.3164 58.7182 30.9061 178.5548 48 G 3.8872 8.2314 106.2873 48.3425 0.0000 173.8065 49 D 4.6774 7.8486 116.7076 53.4691 42.1072 175.9347 50 Q 3.2628 8.3993 115.3293 56.0150 27.7923 173.4520 51 S 4.8241 9.0863 116.6578 57.6647 68.6222 175.0623 52 T 5.1841 8.4012 117.8492 62.2318 73.6811 172.4257 53 D 5.1883 9.1323 121.9041 53.2829 45.5522 174.4519 54 Y 4.6430 10.4814 122.1250 57.0700 38.8243 176.7868 55 G 3.6665 10.1951 115.3682 49.4916 0.0000 175.9551 56 I 3.7878 7.4960 119.2631 63.5666 38.7573 176.4902 57 F 4.6212 8.2449 116.8984 57.8202 40.7067 174.1496 58 Q 3.3099 8.3541 118.9898 56.9761 27.6594 173.7440 59 I 4.4224 8.2777 120.0033 59.8013 40.2558 176.6465 60 N 5.0093 8.6864 124.2562 53.3951 39.5440 175.3101 61 S 5.4754 10.4872 118.0690 58.1028 62.2169 174.6897 62 R 4.2264 8.2373 116.1024 58.4962 30.4824 177.2685 63 Y 4.2938 8.4405 119.7193 57.3111 41.7140 175.6061 64 W 4.9689 8.6054 118.0369 55.4090 31.7408 169.3490 65 C 4.5728 8.9124 121.7136 54.6515 43.3371 170.7537 66 N 4.1653 9.0636 121.3128 54.4291 37.3821 175.0476 67 D 4.7957 9.4957 123.9019 54.9252 43.2449 176.9847 68 G 4.0427 9.0510 104.5286 45.2753 0.0000 173.0353 69 K 4.2654 8.1754 117.4262 57.5457 34.8874 176.2418 70 T 4.3953 8.0644 117.3545 61.1713 68.9553 173.7651 71 P 4.6650 0.0000 0.0000 62.9165 30.5066 175.7982 72 R 4.3180 7.6219 116.7621 58.4333 32.8513 176.8788 73 A 3.8532 7.9400 118.3422 52.8279 19.1519 178.4379 74 V 4.0731 7.5406 122.9995 60.0283 29.3638 175.8069 75 N 4.4407 7.9777 118.7313 53.5746 37.0539 175.9386 76 A 4.2756 8.9150 127.1491 53.3357 19.1123 177.2194 77 C 4.3975 8.5526 114.3475 56.5873 44.8206 172.9812 78 G 3.7332 8.6075 106.3929 45.5192 0.0000 172.0602 79 I 4.5897 6.8863 110.4801 59.2029 41.2416 174.1523 80 N 4.8490 8.5742 118.9306 53.0473 39.2129 176.8143 81 C 4.2698 9.2465 121.2651 60.6965 36.0667 176.4422 82 S 3.4880 8.3371 115.5109 61.5360 62.1351 176.2828 83 A 4.3060 8.5061 122.7238 53.8572 18.0234 178.4279 84 L 4.4121 8.0868 117.0349 53.8996 41.9717 176.2090 85 L 4.9129 8.2776 119.8933 55.0193 43.3679 176.3327 86 Q 4.8663 7.9833 117.9328 54.5294 29.9629 173.7387 87 D 4.6944 8.0100 116.9417 55.7180 40.6806 176.1129 88 D 4.4151 7.8682 122.1334 54.2804 41.7909 177.3733 89 I 3.9762 7.6565 115.0735 60.9870 37.9714 177.2391 90 T 3.6896 7.6683 116.1924 65.8311 66.7871 175.2702 91 A 3.8658 7.7354 121.6490 54.9191 18.5500 179.2142 92 A 3.5402 7.5278 118.7983 55.1454 18.4258 179.8762 93 I 3.1239 7.8722 118.4677 64.3170 37.2177 178.2461 94 Q 3.8130 8.1366 120.7786 59.4791 28.7837 177.8082 95 C 4.2886 8.7401 119.7944 59.3646 40.7580 175.0899 96 A 3.9857 7.9471 123.1395 55.1223 17.8830 179.8241 97 K 3.8980 8.3596 117.4996 60.2150 32.5723 179.4458 98 R 4.1867 8.2233 119.1262 58.4339 30.1522 178.3492 99 V 3.9912 8.3697 119.1012 65.7932 31.5547 178.2805 100 V 3.9656 8.3834 118.3296 65.0296 31.1721 178.0085 101 R 4.1244 8.4352 118.2343 58.5261 29.9696 176.5013 102 D 4.7246 8.3420 119.3487 52.9719 41.7121 174.8083 103 P 4.6291 0.0000 0.0000 64.1129 31.3645 177.6585 104 Q 3.8742 7.5660 117.8465 58.7379 28.9804 177.7814 105 G 4.1663 7.9002 102.0548 45.0503 0.0000 174.0622 106 I 3.7747 8.3198 119.6003 64.3474 37.5451 178.2717 107 R 3.5174 8.1880 119.7963 59.3183 29.9747 177.5648 108 A 3.7088 8.3113 120.3325 54.8489 18.7909 178.1205 109 W 4.6529 9.1849 117.8375 57.1038 29.0321 178.8054 110 V 3.5354 7.8801 121.2383 64.8954 30.9846 177.1479 111 A 3.9521 8.1440 120.9567 55.0228 17.8747 178.8562 112 W 4.2400 8.7939 126.4176 61.0128 30.5797 178.0098 113 R 3.2363 7.4262 116.9488 58.3669 29.5110 175.9096 114 A 4.8757 8.2634 121.3814 51.6768 19.7941 175.7365 115 H 4.9537 9.6822 119.8577 59.4169 36.3888 173.8593 116 C 4.3495 8.4616 116.0802 59.7129 41.0573 175.2330 117 Q 4.5796 8.2404 117.1418 55.5685 26.6494 174.7312 118 N 4.9120 7.8312 116.9109 54.5949 43.7877 173.0368 119 R 4.5631 7.3236 113.6402 54.5562 33.1241 173.6243 120 D 4.5812 8.5282 118.3061 53.4067 40.4568 175.3589 121 L 4.6535 8.0454 128.1222 54.8519 42.4745 178.4596 122 S 4.2383 7.7368 116.0131 60.7312 62.8717 176.1326 123 Q 4.1491 8.0062 119.7397 58.0259 29.0466 176.1987 124 Y 4.0225 7.7970 118.1831 59.9596 39.0362 176.0131 125 I 4.2075 7.5911 111.5142 61.6834 39.0624 175.9460 126 R 3.9748 8.2122 122.4111 56.9200 30.1616 175.2934 127 N 4.3804 8.9274 122.6688 54.6995 37.0871 175.3345 128 C 4.3407 8.1767 118.4361 58.2439 44.0204 173.6638 129 G 4.1826 8.0980 108.4964 45.9756 0.0000 173.6983 130 V 3.8477 7.9382 124.6354 62.6608 31.5732 175.3331 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 K 8.17 4.43 0.00 1.90 1.72 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.42 7.81 2 V 7.63 4.88 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 0.91 0.00 0.00 1.06 0.00 0.00 3 Y 10.21 4.84 0.00 2.67 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 4 E 9.10 5.15 0.00 2.34 2.36 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 2.51 2.34 0.00 5 R 8.87 3.95 0.00 2.13 2.52 0.00 2.80 0.00 0.00 3.57 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 6 C 8.89 4.17 0.00 3.04 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 7 E 8.15 3.76 0.00 2.28 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 2.36 2.42 0.00 8 F 9.49 3.91 0.00 3.42 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 9 A 8.78 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.55 3.82 0.00 1.88 2.09 0.00 3.13 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 11 T 8.67 3.79 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 0.99 0.00 0.00 12 L 8.55 3.77 0.00 2.00 1.63 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.32 3.90 0.00 1.85 1.95 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 14 R 8.21 4.03 0.00 1.91 2.00 0.00 3.30 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 15 N 8.31 4.52 0.00 2.73 2.67 0.00 0.00 7.25 8.03 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 16 G 8.40 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 8.15 4.39 0.00 1.45 1.65 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.73 0.00 18 A 7.92 4.27 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.29 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 20 Y 8.55 4.61 0.00 3.50 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 21 Y 7.30 3.99 0.00 2.39 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 22 G 8.01 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 23 V 7.92 3.58 2.17 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 -0.87 0.00 0.00 0.88 0.00 0.00 24 S 8.38 4.77 0.00 4.05 3.64 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 25 L 8.49 4.18 0.00 1.89 1.73 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.98 3.95 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 27 D 7.54 3.43 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.98 4.48 0.00 3.35 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 29 V 8.27 3.36 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 1.10 0.00 0.00 1.13 0.00 0.00 30 C 8.10 3.68 0.00 2.70 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 31 L 8.21 3.58 0.00 1.26 1.62 0.22 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.89 3.14 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.64 3.40 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.62 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 34 H 8.29 4.07 0.00 2.97 3.19 0.00 5.82 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.73 4.10 0.00 1.78 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 2.34 1.99 0.00 36 S 8.36 4.52 0.00 3.93 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 37 N 8.69 4.05 0.00 2.35 1.95 0.00 0.00 6.64 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 38 Y 8.56 3.97 0.00 3.24 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 0.00 0.00 0.00 0.00 39 N 9.51 5.21 0.00 2.81 2.84 0.00 0.00 6.85 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 40 T 8.91 4.48 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 1.40 0.00 0.00 41 R 7.91 4.15 0.00 1.87 2.06 0.00 3.34 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 42 A 7.97 4.25 1.38 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 0.00 0.00 0.00 43 T 8.46 4.98 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 1.37 0.00 0.00 44 N 9.77 5.01 0.00 2.72 2.90 0.00 0.00 6.75 8.13 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 45 Y 8.25 5.25 0.00 2.96 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 46 N 8.74 4.05 0.00 2.82 2.64 0.00 0.00 6.83 6.89 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 47 R 8.87 3.62 0.00 2.05 2.00 0.00 3.28 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 48 G 8.23 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 49 D 7.85 4.68 0.00 2.58 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 50 Q 8.40 3.26 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.99 6.40 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 51 S 9.09 4.82 0.00 3.65 3.68 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 52 T 8.40 5.18 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 0.96 0.00 0.00 53 D 9.13 5.19 0.00 2.50 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 54 Y 10.48 4.64 0.00 3.11 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 55 G 10.20 3.67 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 0.00 0.00 0.00 56 I 7.50 3.79 2.05 0.00 0.00 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 1.55 1.11 1.09 0.00 0.00 57 F 8.24 4.62 0.00 3.02 3.19 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 58 Q 8.35 3.31 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 59 I 8.28 4.42 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.22 1.02 0.00 0.00 60 N 8.69 5.01 0.00 3.14 3.20 0.00 0.00 7.02 7.20 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 61 S 10.49 5.48 0.00 3.73 3.62 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 0.00 0.00 0.00 62 R 8.24 4.23 0.00 1.88 2.18 0.00 3.14 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 63 Y 8.44 4.29 0.00 2.89 1.44 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.61 4.97 0.00 3.81 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 65 C 8.91 4.57 0.00 3.39 3.41 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 66 N 9.06 4.17 0.00 2.74 2.66 0.00 0.00 7.01 8.64 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 67 D 9.50 4.80 0.00 2.73 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 68 G 9.05 4.04 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 0.00 0.00 0.00 69 K 8.18 4.27 0.00 1.71 1.95 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.39 7.81 70 T 8.06 4.40 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 1.22 0.00 0.00 71 P 0.00 4.67 0.00 2.17 2.11 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 72 R 7.62 4.32 0.00 1.74 1.94 0.00 3.29 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 73 A 7.94 3.85 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.54 4.07 1.93 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 0.55 0.00 0.00 0.88 0.00 0.00 75 N 7.98 4.44 0.00 2.79 3.05 0.00 0.00 6.30 7.28 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 76 A 8.91 4.28 1.08 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 0.00 0.00 77 C 8.55 4.40 0.00 3.34 3.29 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 78 G 8.61 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 0.00 0.00 0.00 79 I 6.89 4.59 1.87 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 1.42 0.81 0.94 0.00 0.00 80 N 8.57 4.85 0.00 2.78 2.80 0.00 0.00 6.80 7.67 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 81 C 9.25 4.27 0.00 3.09 3.41 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 82 S 8.34 3.49 0.00 3.89 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 83 A 8.51 4.31 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 84 L 8.09 4.41 0.00 0.32 0.58 0.68 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.28 4.91 0.00 1.58 1.62 1.18 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.98 4.87 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 87 D 8.01 4.69 0.00 2.82 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 88 D 7.87 4.42 0.00 2.62 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 89 I 7.66 3.98 1.41 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.30 0.09 0.00 0.00 90 T 7.67 3.69 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 1.12 0.00 0.00 91 A 7.74 3.87 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 92 A 7.53 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.87 3.12 1.59 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.32 0.53 0.00 0.00 94 Q 8.14 3.81 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 95 C 8.74 4.29 0.00 3.14 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 96 A 7.95 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.36 3.90 0.00 1.81 1.82 0.00 1.24 0.00 0.00 1.45 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.46 7.81 98 R 8.22 4.19 0.00 1.88 2.19 0.00 3.34 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 99 V 8.37 3.99 2.39 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 0.91 0.00 0.00 0.64 0.00 0.00 100 V 8.38 3.97 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 1.07 0.00 0.00 1.20 0.00 0.00 101 R 8.44 4.12 0.00 2.00 2.12 0.00 3.21 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 102 D 8.34 4.72 0.00 3.14 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 0.00 103 P 0.00 4.63 0.00 2.17 2.16 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 104 Q 7.57 3.87 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.67 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 105 G 7.90 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 0.00 106 I 8.32 3.77 1.52 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.91 -0.29 0.00 0.00 107 R 8.19 3.52 0.00 1.73 1.99 0.00 3.14 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 108 A 8.31 3.71 0.61 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 0.00 0.00 109 W 9.18 4.65 0.00 3.46 3.06 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 0.00 110 V 7.88 3.54 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 0.79 0.00 0.00 0.89 0.00 0.00 111 A 8.14 3.95 1.07 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 0.00 112 W 8.79 4.24 0.00 3.23 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 0.00 113 R 7.43 3.24 0.00 1.56 2.06 0.00 3.13 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 114 A 8.26 4.88 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 0.00 115 H 9.68 4.95 0.00 3.13 3.28 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 C 8.46 4.35 0.00 2.63 2.88 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 0.00 117 Q 8.24 4.58 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.59 2.30 0.00 118 N 7.83 4.91 0.00 2.63 2.73 0.00 0.00 6.99 7.65 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 0.00 119 R 7.32 4.56 0.00 1.78 1.76 0.00 3.30 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 120 D 8.53 4.58 0.00 2.65 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 0.00 121 L 8.05 4.65 0.00 1.62 1.40 0.73 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 122 S 7.74 4.24 0.00 4.13 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 0.00 123 Q 8.01 4.15 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.12 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 124 Y 7.80 4.02 0.00 3.11 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 0.00 125 I 7.59 4.21 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 1.03 0.00 0.00 126 R 8.21 3.97 0.00 1.84 1.91 0.00 3.50 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 127 N 8.93 4.38 0.00 2.90 2.92 0.00 0.00 7.14 7.65 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 0.00 128 C 8.18 4.34 0.00 3.11 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 0.00 129 G 8.10 4.18 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 0.00 0.00 0.00 130 V 7.94 3.85 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 0.77 0.00 0.00 0.98 0.00 0.00