NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6486 8.3649 119.5562 52.9394 41.3265 174.7427 7 K 4.3888 8.4862 124.3171 53.4495 33.6250 170.8607 8 V 4.3808 8.1823 120.9298 61.1725 35.3890 173.8139 9 L 4.5897 8.5804 130.0540 53.6533 43.1354 175.3154 10 K 4.5450 8.5748 126.7300 55.2222 33.8103 175.8862 11 I 5.0882 8.4007 125.1811 59.4460 40.3087 174.5877 12 Q 4.5640 9.1659 127.5977 54.2321 31.5754 174.1962 13 L 4.4818 8.5784 127.0518 54.2664 41.6993 176.9850 14 R 4.3812 9.1071 124.5397 57.6587 31.1419 176.5741 15 S 4.5032 7.6362 111.9658 56.9856 65.5592 174.9707 16 A 4.1487 8.3978 122.9152 54.5215 18.1872 178.8872 17 S 4.2454 7.7144 110.6119 59.9999 63.2119 174.7035 18 A 4.4818 7.5409 122.9790 51.9165 18.9326 176.7843 19 T 4.4943 8.0231 115.6128 61.1533 71.5916 174.6289 20 V 3.7151 8.3017 126.0622 62.1769 32.1199 173.9068 21 P 5.5343 0.0000 0.0000 62.7359 32.1759 175.5401 22 T 4.8984 8.7637 111.1420 60.0673 71.9898 172.6161 23 K 4.5894 8.3434 123.6130 54.9245 35.2359 175.1627 *25 S 4.1225 8.6029 119.2920 57.9492 63.2460 174.5819 26 A 4.0485 8.6527 129.9731 54.5319 18.4303 178.1378 27 T 4.3864 7.4272 104.1603 61.2734 69.0232 174.5849 28 A 4.2207 7.2515 123.5183 51.9570 19.3267 178.2932 29 A 4.0915 8.4795 123.0629 53.9003 19.0146 177.7804 30 G 4.3312 7.5216 100.0705 43.6453 0.0000 171.8990 31 Y 4.8470 8.6361 117.2275 55.8255 40.8260 175.6753 32 D 4.7961 9.5302 124.8530 54.3643 42.4095 175.2636 33 I 4.8257 8.2553 122.9226 59.7170 40.0506 174.1672 34 Y 5.2276 8.6738 123.3162 55.8639 40.7883 175.4338 35 A 4.5629 9.5451 125.8653 52.2852 19.3809 178.1420 36 S 4.6428 9.0674 115.6904 58.6287 64.2423 174.2218 37 Q 4.6681 7.7377 118.3111 54.1446 32.6462 174.4633 38 D 4.7347 8.7332 122.0740 55.0921 41.9201 175.5788 39 I 4.2463 8.4440 118.7966 60.6290 42.1300 172.8172 40 T 4.9864 8.5382 124.6347 61.9264 70.7663 173.9050 41 I 4.4013 8.6731 128.0280 59.3534 38.3975 173.8511 42 P 5.0119 0.0000 0.0000 62.0784 32.9323 175.6128 43 A 4.0926 8.9595 123.8261 53.3377 18.8440 177.4849 44 M 3.6244 7.9969 121.4554 55.3344 30.7332 176.9021 45 G 4.2900 7.8260 106.9152 45.8247 0.0000 171.8148 46 Q 5.1900 8.6001 117.8777 55.6991 32.1012 173.6522 47 G 4.1341 8.5154 104.5917 45.9166 0.0000 172.1468 48 M 5.1724 8.5389 120.2873 53.3392 34.1385 175.7545 49 V 4.1002 8.8885 124.9895 62.0371 33.3068 175.2324 50 S 4.9726 8.7171 124.1876 58.5720 63.6772 174.8179 51 T 4.5123 8.8728 112.0727 60.6572 70.6310 173.6761 52 D 4.4664 8.3121 121.6171 55.1548 39.4267 172.7319 53 I 5.2096 7.6918 109.9498 59.3172 41.3390 174.2717 54 S 5.0645 8.7338 118.1928 56.9072 66.9151 173.0626 55 F 5.4511 7.8058 115.6796 55.9991 41.6475 173.6015 56 T 4.7195 8.8711 115.5104 61.8758 71.2375 174.5950 57 V 4.2381 8.7106 119.8209 60.1271 33.1324 174.5358 58 P 4.4562 0.0000 0.0000 62.3398 32.4876 176.3690 59 V 3.6656 8.3485 121.4476 64.8368 31.9991 176.6213 60 G 4.0141 9.3085 113.0082 45.6056 0.0000 172.3922 61 T 5.9046 7.6951 107.2702 58.9570 72.4858 172.3442 62 Y 4.9775 8.4038 118.7700 55.0460 42.3544 174.4647 63 G 4.1304 8.9561 107.9981 45.4014 0.0000 172.7489 64 R 5.1065 8.5781 128.0556 54.8104 31.6197 175.4315 65 I 4.4671 8.7837 128.9236 61.3458 37.4123 175.4200 66 A 5.0116 9.1495 129.5508 48.9603 22.4570 173.5153 67 P 4.6387 0.0000 0.0000 62.4791 32.8187 176.5196 68 R 4.1230 8.4217 120.8727 56.1005 31.1731 177.9670 69 S 4.2077 8.8749 119.1860 61.7665 62.9467 177.2367 70 G 3.6233 8.0002 107.8803 47.7062 0.0000 175.6074 71 L 3.9219 7.8300 120.5780 57.1315 41.6920 178.7871 72 A 4.2225 7.6676 121.8015 54.5678 18.0679 179.7725 73 V 3.5026 7.4914 115.0085 65.6119 31.7826 177.5636 74 K 4.4346 7.8029 115.1715 57.0001 33.5228 176.3293 75 N 4.7651 7.9564 114.9655 51.9431 40.3371 174.6486 76 G 3.7969 7.9388 106.4416 46.3605 0.0000 172.7605 77 I 4.5530 7.4148 120.6053 59.8965 38.7716 174.7039 78 Q 4.6800 8.8730 128.1360 54.3337 32.2495 174.3204 79 T 4.5825 8.6877 120.1739 61.8792 68.4477 173.4920 80 G 4.2386 8.6831 114.3804 43.2076 0.0000 175.5660 81 A 3.4848 10.0796 123.6247 53.7289 17.5477 178.9516 82 G 3.9313 9.0852 107.2877 47.1367 0.0000 172.2029 83 V 4.5497 7.4298 119.7990 61.7495 32.2163 175.2919 84 V 4.2652 8.7002 129.6457 60.9765 33.4738 174.8836 85 D 4.9180 8.6061 127.9970 54.0059 41.6129 177.8016 86 R 3.9976 8.8855 121.3789 59.2188 30.2307 177.0162 87 D 4.6579 8.0047 114.6162 53.2944 40.0059 175.3628 88 Y 4.3481 7.9276 122.9651 57.7866 39.0185 174.9165 89 T 4.1727 7.7066 115.2823 60.8569 69.8066 174.0197 90 G 3.3834 5.8262 111.1124 44.4624 0.0000 172.9956 91 E 3.9538 8.3248 120.5653 56.0545 29.8237 176.4996 92 V 4.0011 8.3754 127.1283 62.7427 31.2375 175.2014 93 K 4.6435 8.5453 127.2234 55.1995 34.1545 176.4776 94 V 4.1888 8.3553 123.7099 61.2907 33.3539 174.9691 95 V 4.1730 8.2852 128.9301 62.5499 32.7759 174.3793 96 L 5.0509 8.5130 128.0291 52.9012 44.8252 175.4268 97 F 5.1288 9.0701 123.1956 56.2863 41.1919 174.3541 98 N 4.9735 9.1853 123.4878 52.5321 39.8670 174.1924 99 H 5.0106 9.0047 123.8967 55.9218 29.6458 175.4322 100 S 4.7133 8.6962 115.9047 57.1642 65.6686 174.5360 101 Q 4.4704 8.6635 116.5345 56.0599 28.9155 175.6812 102 R 4.7175 7.3980 118.2580 54.0135 31.9081 176.0316 103 D 4.6490 8.9206 123.4470 55.0757 41.8308 175.6577 104 F 4.9911 9.4184 125.3227 56.5447 41.3314 174.0058 105 A 4.5102 8.2336 128.5605 50.8504 19.9758 176.0353 106 I 4.3474 8.2141 123.4183 59.3126 40.2446 175.0924 107 K 5.0031 9.1058 126.3349 53.8953 35.2160 175.9409 108 K 4.1392 8.9562 124.7378 58.3258 32.4005 177.1547 109 G 4.1077 9.5359 115.8508 45.2110 0.0000 173.5824 110 D 4.6366 8.1732 120.4881 54.1107 42.1259 175.7534 111 R 4.1940 8.6426 123.5171 56.5153 30.2287 176.1929 112 V 4.5519 8.3365 118.2497 60.7531 33.9433 174.7341 113 A 4.5479 7.2058 121.2702 51.6018 22.0185 174.6940 114 Q 4.9569 8.6564 116.1573 54.5586 32.5496 173.9602 115 L 5.0393 9.1301 123.5860 53.7015 44.1070 175.0193 116 I 4.6579 8.6187 127.0400 59.7027 40.2710 175.1081 117 L 4.5309 8.4375 126.4378 53.4872 41.2665 174.4462 118 E 4.2011 8.1906 122.8517 55.3325 30.7586 176.2104 119 K 4.8539 8.6654 124.8439 56.5376 32.8947 176.2687 120 I 4.6893 8.4681 116.7436 59.7067 41.3378 174.6924 121 V 4.0592 8.3905 123.0385 61.9220 31.1631 175.0884 122 D 4.8514 8.6627 126.4755 53.2948 39.9575 176.1612 123 D 4.8847 7.7118 118.7054 53.0486 40.0451 175.6828 124 A 4.1591 8.1120 121.6975 52.9420 19.1546 177.3495 125 Q 4.5115 8.2786 121.7371 54.0504 30.5111 175.4827 126 I 3.8782 8.3408 126.7105 61.2184 37.6876 175.4268 127 V 4.3953 8.2339 124.6425 60.8167 33.8753 174.4553 128 V 4.3703 8.2334 124.9533 61.1131 33.1258 175.2372 129 V 4.5660 7.9889 119.1259 59.3973 35.0666 175.3240 130 D 4.4215 8.6109 120.5255 56.3630 41.4660 176.4741 131 S 4.3736 7.4412 110.2987 57.7081 64.9703 174.4328 132 L 4.2097 8.6353 127.0356 55.1023 41.4848 176.7220 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 6 D 8.36 4.65 0.00 2.71 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 7 K 8.49 4.39 0.00 1.83 1.76 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.45 7.81 8 V 8.18 4.38 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 0.77 0.00 0.00 0.93 0.00 0.00 9 L 8.58 4.59 0.00 1.41 1.32 0.70 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.57 4.54 0.00 1.82 1.72 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.41 7.81 11 I 8.40 5.09 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 0.97 0.00 0.00 12 Q 9.17 4.56 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 13 L 8.58 4.48 0.00 1.57 1.62 0.92 1.00 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 14 R 9.11 4.38 0.00 1.74 1.96 0.00 3.15 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 15 S 7.64 4.50 0.00 3.95 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 16 A 8.40 4.15 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 17 S 7.71 4.25 0.00 3.84 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 18 A 7.54 4.48 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 19 T 8.02 4.49 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 0.40 0.00 0.00 20 V 8.30 3.72 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 0.82 0.00 0.00 0.93 0.00 0.00 21 P 0.00 5.53 0.00 2.03 2.22 0.00 3.76 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 22 T 8.76 4.90 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 1.34 0.00 0.00 23 K 8.34 4.59 0.00 1.08 1.34 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.59 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 1.15 7.81 *25 S 8.60 4.12 0.00 3.88 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 26 A 8.65 4.05 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 27 T 7.43 4.39 4.21 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 1.19 0.00 0.00 28 A 7.25 4.22 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 29 A 8.48 4.09 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 30 G 7.52 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 0.00 0.00 0.00 0.00 31 Y 8.64 4.85 0.00 2.86 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 32 D 9.53 4.80 0.00 2.38 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 0.00 0.00 0.00 33 I 8.26 4.83 1.85 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 1.26 0.99 0.99 0.00 0.00 34 Y 8.67 5.23 0.00 2.85 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 35 A 9.55 4.56 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 36 S 9.07 4.64 0.00 3.94 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 37 Q 7.74 4.67 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 38 D 8.73 4.73 0.00 2.54 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.44 4.25 1.86 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 1.22 1.09 0.89 0.00 0.00 40 T 8.54 4.99 4.23 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 1.22 0.00 0.00 41 I 8.67 4.40 2.09 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 1.52 1.18 1.01 0.00 0.00 42 P 0.00 5.01 0.00 2.15 2.20 0.00 3.87 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 43 A 8.96 4.09 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 44 M 8.00 3.62 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.74 0.00 45 G 7.83 4.29 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 0.00 46 Q 8.60 5.19 0.00 1.96 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 47 G 8.52 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 48 M 8.54 5.17 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 49 V 8.89 4.10 2.10 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 0.98 0.00 0.00 0.96 0.00 0.00 50 S 8.72 4.97 0.00 3.84 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 51 T 8.87 4.51 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 1.36 0.00 0.00 52 D 8.31 4.47 0.00 2.86 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 53 I 7.69 5.21 1.98 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.09 1.04 0.00 0.00 54 S 8.73 5.06 0.00 3.70 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 55 F 7.81 5.45 0.00 3.03 2.99 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 0.00 0.00 0.00 56 T 8.87 4.72 4.29 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 1.31 0.00 0.00 57 V 8.71 4.24 2.10 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 0.85 0.00 0.00 1.06 0.00 0.00 58 P 0.00 4.46 0.00 2.08 1.98 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 59 V 8.35 3.67 2.10 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 0.79 0.00 0.00 0.95 0.00 0.00 60 G 9.31 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 61 T 7.70 5.90 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 1.22 0.00 0.00 62 Y 8.40 4.98 0.00 3.22 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 63 G 8.96 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 64 R 8.58 5.11 0.00 1.58 1.71 0.00 3.21 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 65 I 8.78 4.47 1.93 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 1.30 1.01 0.95 0.00 0.00 66 A 9.15 5.01 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 67 P 0.00 4.64 0.00 2.08 2.07 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 68 R 8.42 4.12 0.00 1.86 1.86 0.00 3.09 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 1.67 1.68 0.00 69 S 8.87 4.21 0.00 3.84 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 70 G 8.00 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 0.00 0.00 0.00 71 L 7.83 3.92 0.00 1.59 1.44 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.67 4.22 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 73 V 7.49 3.50 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 0.87 0.00 0.00 0.96 0.00 0.00 74 K 7.80 4.43 0.00 1.96 1.89 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.44 7.81 75 N 7.96 4.77 0.00 2.27 2.36 0.00 0.00 6.99 7.17 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 76 G 7.94 3.80 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 0.00 0.00 0.00 77 I 7.41 4.55 1.59 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.02 0.79 0.00 0.00 78 Q 8.87 4.68 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 79 T 8.69 4.58 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 1.36 0.00 0.00 80 G 8.68 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 0.00 0.00 0.00 0.00 81 A 10.08 3.48 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 82 G 9.09 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 0.00 0.00 0.00 83 V 7.43 4.55 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 0.54 0.00 0.00 0.90 0.00 0.00 84 V 8.70 4.27 2.42 0.00 0.00 0.00 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 1.02 0.00 0.00 85 D 8.61 4.92 0.00 2.81 2.66 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 86 R 8.89 4.00 0.00 1.86 2.03 0.00 3.37 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 87 D 8.00 4.66 0.00 2.85 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 88 Y 7.93 4.35 0.00 2.88 2.99 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 0.00 0.00 0.00 89 T 7.71 4.17 4.08 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 1.12 0.00 0.00 90 G 5.83 3.38 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 0.00 91 E 8.32 3.95 0.00 1.93 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 2.33 2.31 0.00 92 V 8.38 4.00 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 0.92 0.00 0.00 0.57 0.00 0.00 93 K 8.55 4.64 0.00 1.69 1.78 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.46 7.81 94 V 8.36 4.19 2.10 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 0.77 0.00 0.00 0.98 0.00 0.00 95 V 8.29 4.17 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 0.30 0.00 0.00 0.83 0.00 0.00 96 L 8.51 5.05 0.00 1.58 1.49 1.04 0.74 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 97 F 9.07 5.13 0.00 2.91 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 98 N 9.19 4.97 0.00 2.81 2.93 0.00 0.00 6.76 8.75 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 99 H 9.00 5.01 0.00 3.07 3.25 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.70 4.71 0.00 3.87 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 0.00 101 Q 8.66 4.47 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 102 R 7.40 4.72 0.00 1.68 1.89 0.00 3.22 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 103 D 8.92 4.65 0.00 2.59 2.66 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 0.00 104 F 9.42 4.99 0.00 2.96 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 0.00 105 A 8.23 4.51 1.09 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 0.00 106 I 8.21 4.35 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.01 0.88 0.00 0.00 107 K 9.11 5.00 0.00 1.61 1.66 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.46 7.81 108 K 8.96 4.14 0.00 1.68 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 109 G 9.54 4.11 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 0.00 110 D 8.17 4.64 0.00 2.65 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 0.00 111 R 8.64 4.19 0.00 1.78 1.76 0.00 3.17 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.00 112 V 8.34 4.55 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 0.86 0.00 0.00 0.99 0.00 0.00 113 A 7.21 4.55 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 0.00 114 Q 8.66 4.96 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 115 L 9.13 5.04 0.00 1.61 1.62 0.76 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.62 4.66 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.91 0.00 0.00 117 L 8.44 4.53 0.00 1.53 1.59 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.19 4.20 0.00 1.28 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 1.96 1.96 0.00 119 K 8.67 4.85 0.00 1.66 1.77 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 120 I 8.47 4.69 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 1.23 0.00 0.00 121 V 8.39 4.06 2.10 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 0.94 0.00 0.00 0.95 0.00 0.00 122 D 8.66 4.85 0.00 2.84 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 0.00 123 D 7.71 4.88 0.00 2.76 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 0.00 124 A 8.11 4.16 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 0.00 125 Q 8.28 4.51 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 126 I 8.34 3.88 1.87 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 0.65 0.91 0.00 0.00 127 V 8.23 4.40 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 0.80 0.00 0.00 0.93 0.00 0.00 128 V 8.23 4.37 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 0.89 0.00 0.00 0.93 0.00 0.00 129 V 7.99 4.57 2.20 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 0.77 0.00 0.00 0.98 0.00 0.00 130 D 8.61 4.42 0.00 2.63 2.69 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 0.00 131 S 7.44 4.37 0.00 3.81 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 0.00 132 L 8.64 4.21 0.00 1.68 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.