NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4316 8.3344 116.7995 57.6339 64.3128 172.8073 1 L 4.3811 8.3754 123.7478 54.9191 42.4227 174.8018 2 K 4.7520 9.3220 125.0158 54.4617 36.3397 174.2179 3 L 5.3967 8.6913 126.1012 53.3444 44.3592 175.0492 4 I 4.8798 9.0239 118.8015 59.5916 41.8034 173.6561 5 S 4.9333 8.2759 115.0174 57.2585 64.6301 173.8438 6 N 4.5353 9.2589 122.8300 55.1325 38.9252 175.7490 7 D 4.6653 8.0342 117.1587 54.8089 42.1491 176.5846 8 L 4.8020 7.5209 116.2742 52.7044 44.6083 175.5224 9 R 4.5310 8.0500 119.3104 54.0730 32.8260 173.9461 10 D 4.5946 8.8886 124.2400 56.4289 41.3245 176.6048 11 G 4.0149 9.5065 115.6990 45.5017 0.0000 173.1571 12 D 4.7578 8.0645 120.0359 52.9276 41.9789 175.7024 13 K 4.2831 8.3302 120.0461 56.0421 32.5793 177.1917 14 L 4.1561 8.6854 125.5021 54.2636 42.6748 175.0621 15 P 4.4756 0.0000 0.0000 62.6042 32.2227 176.8340 16 H 3.9897 8.9030 120.6927 59.2989 30.2177 177.0811 17 R 3.9828 8.0181 119.4519 59.0752 30.6499 177.3293 18 H 5.1703 8.1703 113.7042 54.7029 30.2365 175.3717 19 V 3.5441 7.3506 119.7756 61.9711 32.8623 175.2784 20 F 5.0081 8.6309 128.0731 58.5346 40.3558 175.2350 21 N 4.7031 7.2194 119.3255 51.6689 37.9124 175.0065 22 G 3.7047 5.9767 108.4988 44.0720 0.0000 173.6980 *24 G 3.7308 8.6790 113.0386 45.0261 0.0000 171.7036 25 Y 4.6680 8.0865 117.6003 56.5284 40.0724 174.6338 26 D 4.8273 8.4811 118.1943 53.0121 39.6481 176.0635 27 G 3.4735 8.1514 108.6410 46.2075 0.0000 175.2351 28 D 4.2923 8.2666 118.7388 54.9728 41.0255 176.3624 29 N 4.3301 7.8615 116.3075 54.6306 37.4928 173.3977 30 I 4.3996 7.5745 116.9617 58.7336 39.2116 175.6987 31 S 2.7900 8.1120 120.3827 57.0834 63.7274 172.0422 32 P 4.6519 0.0000 0.0000 62.4204 32.1194 175.4688 33 H 4.5066 9.3226 122.4099 56.9162 30.5292 174.4999 34 L 5.0883 8.5851 123.0664 53.2419 46.3449 175.2374 35 A 4.8374 9.0631 122.9933 50.3200 22.9243 175.0927 36 W 5.7108 8.0263 116.6989 55.3352 32.0367 173.3031 37 D 4.5377 8.9757 119.0945 52.9437 44.9086 173.4687 38 D 4.7313 8.3731 117.9022 55.1776 38.8485 173.3834 39 V 4.1787 7.4850 112.8303 59.8495 33.3753 175.2797 40 P 4.3723 0.0000 0.0000 62.1934 31.9203 175.7456 41 A 4.0811 8.3316 123.6456 54.0382 18.7070 178.1294 42 G 3.9479 8.8204 109.7543 45.2022 0.0000 173.9695 43 T 3.9761 7.3556 116.9470 63.8729 68.3099 174.0960 44 K 4.6004 8.7808 124.9377 56.3276 34.9803 175.5604 45 S 4.5070 7.0174 113.1293 57.8517 66.2249 174.0762 46 F 5.2756 8.8920 117.6129 55.6751 43.4266 174.3558 47 V 4.8094 8.5331 120.4234 61.1127 34.6260 174.4086 48 V 4.8695 8.5461 127.1433 61.2780 34.4349 174.3003 49 T 5.2411 8.8784 116.3348 60.3115 73.1804 171.9896 50 C 5.1788 9.4364 121.9313 57.8870 34.4786 172.0451 51 Y 5.1630 9.1610 126.8880 55.8516 42.6694 173.4888 52 D 5.0779 8.3686 125.7166 50.8367 42.3820 174.7915 53 P 3.9214 0.0000 0.0000 64.3493 31.7295 176.8601 54 D 4.4026 7.7666 117.7040 53.9034 41.2211 176.5896 55 A 4.0120 7.4714 123.3710 51.6551 19.1667 176.8727 56 P 4.6261 0.0000 0.0000 61.7004 29.9710 175.7007 57 T 4.4883 7.9205 110.0975 61.3850 70.8009 175.9568 58 G 4.0904 9.6622 110.3402 45.5546 0.0000 174.6266 59 S 4.5666 7.9727 112.3172 58.0391 64.4948 176.2667 60 G 3.5375 8.5574 108.7328 45.8281 0.0000 173.0692 61 W 4.9154 7.1243 129.6158 56.0936 34.7600 174.9823 62 W 4.9911 9.7679 128.5936 56.8641 29.4393 176.7075 63 H 5.1622 9.8322 122.2242 56.7857 30.4721 174.8762 64 W 5.3838 8.2328 125.4396 56.6316 34.3305 173.3546 65 V 4.7486 8.5597 126.0207 61.3981 34.5521 173.4953 66 V 4.8482 8.7441 128.2779 61.2122 34.2355 174.7269 67 V 4.6872 8.7009 120.1677 59.6816 36.2871 175.0802 68 N 4.4044 8.8382 115.5613 54.3292 35.9863 174.8755 69 L 4.2660 7.7767 118.4548 53.8130 42.4013 175.6665 70 P 4.7233 0.0000 0.0000 62.3342 31.9183 177.0603 71 A 3.9899 8.6510 122.2659 55.1047 18.2715 178.2028 72 D 4.8261 8.0959 113.0178 53.6295 39.9137 176.5926 73 T 4.0517 8.2684 117.8469 64.1683 69.1080 174.5155 74 R 3.2706 7.5948 121.1200 54.8677 33.2635 174.5432 75 V 4.1081 6.2128 116.3230 60.5456 34.2908 173.0886 76 L 4.4728 8.5060 121.8607 52.0130 45.0685 174.6265 77 P 4.7593 0.0000 0.0000 62.3512 32.6898 175.7311 78 Q 4.2626 8.5858 122.0243 57.8705 29.5462 176.7687 79 G 3.9145 9.0833 113.1279 45.3394 0.0000 174.8887 80 F 4.0844 8.2001 122.5094 60.7837 39.6081 176.0098 81 G 4.4968 8.5673 108.2969 45.9963 0.0000 174.3571 82 S 4.5518 7.9635 113.0552 57.6765 63.9401 174.9663 83 G 3.9076 8.3897 106.9351 46.0687 0.0000 175.1445 84 L 4.1672 7.8623 121.1110 56.3098 42.0248 177.6175 85 V 4.5963 7.2946 109.1286 59.1576 36.0386 176.6733 86 A 4.5934 7.8681 131.5674 51.2789 17.2513 179.1377 *88 P 4.2499 0.0000 0.0000 64.1538 32.2939 175.0559 89 D 4.4936 8.6127 119.8110 56.2762 41.3068 177.2673 90 G 4.0310 8.9457 113.8262 45.4534 0.0000 173.6771 91 V 4.1642 7.4163 119.6831 62.6630 32.6084 175.1733 92 L 4.8502 8.8908 127.9433 53.5018 45.8970 174.7562 93 Q 5.0985 8.8239 124.9691 55.0027 30.4349 175.5526 94 T 5.0092 8.3304 115.3765 59.9458 72.1306 173.5046 95 R 4.5126 8.2204 122.2623 56.8622 30.8140 176.2794 96 T 4.7343 8.8817 116.6930 59.9638 71.8211 174.7406 97 D 4.0596 8.5237 120.2330 55.9222 40.4571 177.6835 98 F 4.4526 8.0756 117.2841 57.8637 39.0692 175.8733 99 G 3.8945 9.3459 109.1811 45.6258 0.0000 173.2056 100 K 4.5096 7.7792 118.0222 56.1377 35.1716 174.0865 101 T 4.9837 7.9427 108.0777 59.6378 70.9495 174.1012 102 G 4.1298 8.9313 107.6869 44.8520 0.0000 172.0611 103 Y 4.3837 8.1846 120.8686 57.0900 39.2385 174.4448 104 D 4.5244 7.9231 125.8405 52.2972 44.1477 176.4855 105 G 3.9481 9.3282 110.9944 44.5369 0.0000 172.9556 106 A 3.7413 7.9542 121.7332 52.4517 19.1893 177.9420 107 A 4.0483 7.6733 121.2688 50.6947 20.2093 174.2261 108 P 4.3807 0.0000 0.0000 61.0082 33.0341 175.4017 109 P 4.4770 0.0000 0.0000 62.1880 32.0156 176.8460 110 K 4.0859 8.5462 121.1018 56.6330 31.6392 177.5941 111 G 3.9797 8.8949 110.8561 45.1192 0.0000 172.6270 112 E 4.8066 7.9027 118.6202 54.5666 32.6765 175.1579 113 T 5.0731 8.4801 118.3996 62.3337 70.9000 173.1077 114 H 5.1238 9.2235 123.3077 53.9041 32.5215 173.5631 115 R 4.5288 8.6201 119.3212 55.4607 32.0276 175.4309 116 Y 4.5173 9.1738 121.7864 56.4374 40.3126 174.4991 117 I 4.8615 8.6503 126.8554 59.8113 39.2595 174.9856 118 F 5.2778 9.6609 127.1036 56.4493 40.7901 175.2876 119 T 5.2235 9.2264 120.3526 61.5828 72.9641 173.1623 120 V 4.5006 8.5426 124.3529 60.0491 34.3044 174.0522 121 H 5.3633 9.1023 121.2886 53.8599 31.9381 172.5793 122 A 4.5032 8.9296 125.8693 50.9326 20.1203 176.4499 123 L 5.0093 8.6022 123.4069 53.2997 44.6365 176.7071 124 D 5.1478 8.7217 119.7801 53.1305 40.0082 176.2694 125 I 4.6013 7.3135 111.2735 59.0493 40.5183 175.0857 126 E 4.2536 8.6866 122.7319 58.3029 29.8415 177.4748 127 R 4.8186 7.5006 115.8135 54.2908 34.0885 174.2247 128 I 4.1901 9.0301 116.5933 59.9023 39.0644 176.3168 129 D 4.6176 8.2943 124.0649 52.9493 39.5002 175.1893 130 V 4.5247 7.4155 114.7474 59.0046 36.2359 174.2892 131 D 5.0379 8.0650 120.5832 51.1932 41.8025 176.4888 132 E 4.1247 8.7061 115.9782 58.3545 29.5399 177.6151 133 G 3.7892 8.3785 107.7631 45.6686 0.0000 174.1052 134 A 3.9964 7.8512 125.0214 51.9505 18.8357 177.8815 135 S 4.6731 8.3208 117.2339 57.1991 64.4959 174.6868 136 G 2.3623 8.1668 109.0561 48.1222 0.0000 176.0567 137 A 4.2455 7.1770 121.2886 52.4407 17.8882 179.4435 *139 V 3.9175 8.0589 120.9322 64.4099 33.3306 177.7617 140 G 3.5582 8.0831 106.7294 47.7438 0.0000 175.3500 141 F 4.0726 8.4373 122.4642 61.1696 39.5846 176.7289 142 N 4.6362 8.2775 115.6923 56.3187 38.4484 177.3344 143 V 3.5063 8.0552 120.0190 66.2803 31.3484 177.3532 144 H 3.7988 8.0372 116.9357 59.0847 29.6608 176.4548 145 F 4.1612 7.4900 116.9388 58.2567 39.2807 175.8715 146 H 4.8739 7.7740 114.3178 54.9824 30.1005 173.1118 147 S 4.5893 7.8307 115.3613 58.2050 62.7412 173.4738 148 L 4.4334 8.9714 127.8201 56.7901 42.6170 176.3922 149 A 4.6131 7.5734 117.7484 51.4862 22.3820 175.1798 150 S 5.1025 8.5149 112.3916 57.2662 66.4473 173.1739 151 A 4.8914 8.7005 121.4348 50.7974 22.6612 175.3696 152 S 5.1874 8.5326 113.8244 57.0220 67.0012 173.1409 153 I 4.8535 9.0231 120.8619 59.9086 40.8049 174.6308 154 T 5.1705 9.6494 123.4451 62.0345 71.0650 172.9731 155 A 5.4814 9.0427 130.1153 49.9499 22.8891 174.2127 *157 F 4.9764 8.5112 115.1519 58.7096 40.8735 175.8617 158 S 4.9255 7.8483 118.4054 56.7617 66.2727 173.6870 159 E 4.5149 8.3173 119.5678 56.5155 30.6624 176.5140 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 0 S 8.33 4.43 0.00 3.90 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 1 L 8.38 4.38 0.00 1.77 1.62 1.15 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.32 4.75 0.00 1.77 1.68 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.66 7.81 3 L 8.69 5.40 0.00 1.62 1.56 1.13 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.02 4.88 1.90 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 1.24 0.64 0.94 0.00 0.00 5 S 8.28 4.93 0.00 3.81 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 6 N 9.26 4.54 0.00 2.58 2.76 0.00 0.00 6.91 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 7 D 8.03 4.67 0.00 2.55 2.70 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 8 L 7.52 4.80 0.00 1.54 1.52 0.28 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.05 4.53 0.00 1.89 1.94 0.00 3.32 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.15 0.00 10 D 8.89 4.59 0.00 2.72 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 11 G 9.51 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 12 D 8.06 4.76 0.00 3.03 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 13 K 8.33 4.28 0.00 2.10 1.90 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 0.99 7.81 14 L 8.69 4.16 0.00 1.72 1.59 1.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.48 0.00 2.23 1.98 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.12 0.00 16 H 8.90 3.99 0.00 3.24 3.33 0.00 5.88 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.02 3.98 0.00 1.82 1.50 0.00 3.37 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 1.48 1.48 0.00 18 H 8.17 5.17 0.00 3.10 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.35 3.54 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 0.60 0.00 0.00 0.09 0.00 0.00 20 F 8.63 5.01 0.00 3.12 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.22 4.70 0.00 2.65 2.88 0.00 0.00 6.09 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 22 G 5.98 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 *24 G 8.68 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 25 Y 8.09 4.67 0.00 3.22 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 26 D 8.48 4.83 0.00 2.71 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 27 G 8.15 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.29 0.00 2.73 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 29 N 7.86 4.33 0.00 2.81 2.84 0.00 0.00 7.08 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 30 I 7.57 4.40 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.14 0.83 0.00 0.00 31 S 8.11 2.79 0.00 2.72 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 32 P 0.00 4.65 0.00 1.67 1.36 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 0.00 33 H 9.32 4.51 0.00 3.11 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.59 5.09 0.00 1.76 1.66 1.16 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 35 A 9.06 4.84 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 36 W 8.03 5.71 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.98 4.54 0.00 2.80 2.54 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 38 D 8.37 4.73 0.00 3.00 2.84 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 39 V 7.49 4.18 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 1.13 0.00 0.00 1.12 0.00 0.00 40 P 0.00 4.37 0.00 2.22 2.19 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 41 A 8.33 4.08 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 42 G 8.82 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 43 T 7.36 3.98 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 0.63 0.00 0.00 44 K 8.78 4.60 0.00 1.64 1.74 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.49 7.81 45 S 7.02 4.51 0.00 3.94 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 46 F 8.89 5.28 0.00 3.03 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 47 V 8.53 4.81 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 0.90 0.00 0.00 0.88 0.00 0.00 48 V 8.55 4.87 1.67 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 0.72 0.00 0.00 0.50 0.00 0.00 49 T 8.88 5.24 4.67 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 1.20 0.00 0.00 50 C 9.44 5.18 0.00 3.26 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 51 Y 9.16 5.16 0.00 2.64 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 52 D 8.37 5.08 0.00 2.44 2.32 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 0.00 53 P 0.00 3.92 0.00 2.13 2.18 0.00 3.65 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 54 D 7.77 4.40 0.00 2.34 2.38 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 55 A 7.47 4.01 1.19 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 56 P 0.00 4.63 0.00 2.18 2.08 0.00 3.67 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 1.95 1.94 0.00 57 T 7.92 4.49 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 1.45 0.00 0.00 58 G 9.66 4.09 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 0.00 0.00 0.00 59 S 7.97 4.57 0.00 4.01 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 60 G 8.56 3.54 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 0.00 0.00 0.00 61 W 7.12 4.92 0.00 3.27 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 62 W 9.77 4.99 0.00 3.26 3.18 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 63 H 9.83 5.16 0.00 3.46 3.60 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.23 5.38 0.00 3.67 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 65 V 8.56 4.75 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 0.70 0.00 0.00 0.80 0.00 0.00 66 V 8.74 4.85 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 1.14 0.00 0.00 0.50 0.00 0.00 67 V 8.70 4.69 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 0.66 0.00 0.00 0.93 0.00 0.00 68 N 8.84 4.40 0.00 3.00 2.98 0.00 0.00 6.96 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.78 4.27 0.00 2.17 1.86 0.96 0.81 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 70 P 0.00 4.72 0.00 2.42 2.25 0.00 3.84 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.04 0.00 71 A 8.65 3.99 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 72 D 8.10 4.83 0.00 2.82 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 73 T 8.27 4.05 4.49 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 1.07 0.00 0.00 74 R 7.59 3.27 0.00 1.26 1.49 0.00 3.27 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.00 75 V 6.21 4.11 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 0.40 0.00 0.00 0.79 0.00 0.00 76 L 8.51 4.47 0.00 1.58 1.50 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.76 0.00 2.20 2.24 0.00 3.76 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 2.35 2.14 0.00 78 Q 8.59 4.26 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.86 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 79 G 9.08 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 80 F 8.20 4.08 0.00 3.30 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 81 G 8.57 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.96 4.55 0.00 3.88 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 83 G 8.39 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 84 L 7.86 4.17 0.00 1.66 1.74 0.96 0.87 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 85 V 7.29 4.60 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 0.78 0.00 0.00 0.82 0.00 0.00 86 A 7.87 4.59 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 *88 P 0.00 4.25 0.00 2.34 2.12 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 89 D 8.61 4.49 0.00 2.64 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 90 G 8.95 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 91 V 7.42 4.16 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 1.03 0.00 0.00 1.17 0.00 0.00 92 L 8.89 4.85 0.00 1.79 1.46 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.82 5.10 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.45 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 94 T 8.33 5.01 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 1.19 0.00 0.00 95 R 8.22 4.51 0.00 2.06 1.94 0.00 3.22 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 96 T 8.88 4.73 4.75 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 1.60 0.00 0.00 97 D 8.52 4.06 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 98 F 8.08 4.45 0.00 3.08 3.16 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 99 G 9.35 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 0.00 100 K 7.78 4.51 0.00 1.97 1.99 0.00 1.56 0.00 0.00 2.01 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.51 7.81 101 T 7.94 4.98 4.46 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 1.28 0.00 0.00 102 G 8.93 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 0.00 0.00 0.00 103 Y 8.18 4.38 0.00 1.43 2.48 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 0.00 104 D 7.92 4.52 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 0.00 105 G 9.33 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 0.00 106 A 7.95 3.74 -0.04 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 0.00 107 A 7.67 4.05 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 0.00 108 P 0.00 4.38 0.00 2.06 1.85 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 109 P 0.00 4.48 0.00 2.21 2.01 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 110 K 8.55 4.09 0.00 1.77 1.64 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.04 7.81 111 G 8.89 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 0.00 0.00 0.00 112 E 7.90 4.81 0.00 2.05 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 2.25 2.45 0.00 113 T 8.48 5.07 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 1.24 0.00 0.00 114 H 9.22 5.12 0.00 2.87 2.82 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.62 4.53 0.00 1.67 1.77 0.00 3.03 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 116 Y 9.17 4.52 0.00 3.16 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.65 4.86 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.98 0.00 0.00 118 F 9.66 5.28 0.00 3.07 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 0.00 119 T 9.23 5.22 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 0.99 0.00 0.00 120 V 8.54 4.50 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 0.38 0.00 0.00 -0.41 0.00 0.00 121 H 9.10 5.36 0.00 2.95 3.14 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 0.00 122 A 8.93 4.50 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 0.00 123 L 8.60 5.01 0.00 1.44 1.51 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.72 5.15 0.00 2.62 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 0.00 125 I 7.31 4.60 1.76 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.79 0.00 0.00 126 E 8.69 4.25 0.00 1.92 1.99 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 2.28 2.28 0.00 127 R 7.50 4.82 0.00 1.75 1.73 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 128 I 9.03 4.19 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.86 0.00 0.00 129 D 8.29 4.62 0.00 2.62 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 0.00 130 V 7.42 4.52 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 0.80 0.00 0.00 0.91 0.00 0.00 131 D 8.07 5.04 0.00 2.82 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 0.00 132 E 8.71 4.12 0.00 2.12 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 0.00 2.29 2.32 0.00 133 G 8.38 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 0.00 134 A 7.85 4.00 1.28 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 0.00 0.00 135 S 8.32 4.67 0.00 3.90 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 0.00 136 G 8.17 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 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.18 4.25 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 *139 V 8.06 3.92 1.86 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 0.89 0.00 0.00 0.79 0.00 0.00 140 G 8.08 3.56 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 0.00 141 F 8.44 4.07 0.00 3.13 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 0.00 142 N 8.28 4.64 0.00 2.97 2.90 0.00 0.00 6.75 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 0.00 143 V 8.06 3.51 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 0.62 0.00 0.00 0.80 0.00 0.00 144 H 8.04 3.80 0.00 2.96 3.05 0.00 5.99 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 0.00 145 F 7.49 4.16 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.77 4.87 0.00 3.25 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.83 4.59 0.00 3.86 3.66 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 0.00 0.00 0.00 0.00 148 L 8.97 4.43 0.00 1.57 1.67 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.57 4.61 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 0.00 150 S 8.51 5.10 0.00 3.74 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.70 4.89 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 0.00 152 S 8.53 5.19 0.00 4.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 I 9.02 4.85 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 1.02 0.00 0.00 154 T 9.65 5.17 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 0.00 155 A 9.04 5.48 1.45 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 0.00 0.00 *157 F 8.51 4.98 0.00 3.20 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 0.00 158 S 7.85 4.93 0.00 3.90 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 0.00 159 E 8.32 4.51 0.00 1.95 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 2.11 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.