NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1268 8.2048 120.4296 55.6369 33.2452 174.2660 2 K 4.6766 8.5432 124.4638 54.2374 37.0608 173.5611 3 K 5.1162 8.8386 120.7865 54.7771 35.2443 175.6176 4 L 4.7367 8.9394 125.1502 53.6305 45.0597 174.9560 5 Q 5.4437 8.8425 124.9676 54.2124 32.3907 174.6395 6 I 5.0493 9.0776 123.1683 59.4961 41.0661 174.1245 7 A 5.2637 9.1919 128.7365 50.4129 21.2293 175.8303 8 V 4.7587 9.3883 122.7369 60.8781 34.8307 174.4359 9 G 4.3672 8.9914 114.9931 44.6683 0.0000 172.8870 10 I 4.1687 9.0067 128.4426 59.8946 38.6240 175.3016 11 I 4.6556 8.2249 129.5520 60.0526 38.3014 174.8574 12 R 5.5056 8.8361 128.6610 54.7715 32.0520 175.4898 13 N 5.1645 9.1532 124.7627 51.7547 39.8791 175.2030 14 E 3.9722 8.6100 116.2817 59.6304 29.6471 177.4238 15 N 4.6746 8.2373 114.3051 52.6351 38.7697 174.1164 16 N 4.2884 7.9380 115.9892 54.9153 38.1202 173.0845 17 E 5.3132 8.6210 114.6321 54.4458 32.7443 175.3300 18 I 5.9116 9.0490 122.9595 58.7870 40.7378 174.6425 19 F 4.0793 8.6846 128.6667 57.5877 39.7002 174.4725 20 I 4.5580 7.9212 127.6451 59.5689 40.1665 175.0979 21 T 4.8218 8.3004 115.4354 60.0277 71.9324 173.0850 22 R 4.8007 8.2952 120.4706 54.9633 32.9217 176.1416 23 R 4.0559 8.2681 118.6517 58.1170 31.3788 177.1590 *32 K 4.1182 7.4701 115.8550 56.2945 33.6686 174.5684 33 L 4.6715 8.0250 122.4131 53.9473 43.9745 175.3430 34 E 4.4925 8.2075 117.6252 55.8616 33.2783 174.1035 35 F 5.2360 8.5344 118.6343 55.7926 40.6630 174.5157 36 P 4.5304 0.0000 0.0000 62.1220 32.5504 176.0259 37 G 4.5592 8.0156 111.9030 44.8918 0.0000 171.7003 38 G 4.1066 7.5661 104.7809 46.1643 0.0000 172.6295 39 K 4.6358 8.8385 121.2946 56.7081 33.0189 177.2639 40 I 4.1936 8.4497 128.5046 60.2593 37.7317 176.0210 41 E 4.2249 9.1727 127.4105 55.4108 30.2493 176.2133 42 M 4.2144 8.3084 120.5625 57.3680 32.5324 176.6588 43 G 3.9899 9.0504 114.4261 45.1909 0.0000 173.0806 44 E 4.5937 7.6114 119.0404 55.5424 30.9719 176.7002 45 T 4.3337 8.4138 112.9492 60.1057 71.8647 174.3327 46 P 3.8703 0.0000 0.0000 65.6831 31.0873 178.8533 47 E 3.3661 7.8690 116.7891 59.2969 29.4450 179.2347 48 Q 3.8882 7.8698 117.5887 58.8006 28.6608 178.7705 49 A 3.9194 7.7956 121.9930 55.0497 18.5452 180.1174 50 V 3.4257 7.3657 117.4348 64.5833 31.3460 178.9411 51 V 3.2457 7.1476 118.5955 65.6087 31.3125 178.0038 52 R 3.9508 7.8128 118.3181 59.6327 29.5419 178.2907 53 E 3.8793 8.3568 118.7063 59.4500 29.4164 179.4567 54 L 3.9869 7.7338 118.6920 57.6027 41.1308 179.5171 55 Q 4.2838 7.8921 119.5398 58.3485 28.3825 178.6325 56 E 3.9138 8.1257 118.9731 59.4169 29.7430 178.8332 57 E 4.0959 8.4740 118.8672 58.2241 29.7472 178.5080 58 V 4.8468 6.7700 108.1514 59.0146 33.1520 176.1216 59 G 3.8199 7.7016 106.5967 46.5260 0.0000 173.7808 60 I 4.7471 7.4017 110.9958 58.7875 40.7912 174.1127 61 T 4.6747 8.4004 117.9492 61.0430 70.4361 172.1500 62 P 4.6907 0.0000 0.0000 63.3373 31.4153 175.8990 63 Q 4.6498 9.7685 122.6906 57.1336 31.2983 175.4270 64 H 5.0531 8.3370 120.1894 54.3443 32.2223 172.3190 65 F 6.1748 8.3489 119.6475 55.7478 40.8752 173.4930 66 S 5.0585 8.9006 113.7226 56.3851 67.1400 172.4762 67 L 3.9153 8.7195 123.2583 55.2269 41.6244 176.0012 68 F 4.6232 9.2326 129.9845 60.4924 40.4356 175.2651 69 E 4.5573 7.6432 115.9647 55.0565 32.9463 174.0881 70 K 4.8397 8.3689 125.0927 54.6654 34.9363 175.0073 71 L 4.6836 8.8242 127.4625 52.9241 44.4884 175.3577 72 E 4.9635 8.2342 121.2597 54.6554 32.8963 174.9912 73 Y 4.2799 8.8980 120.6956 56.1713 41.6227 174.2249 74 E 4.7286 8.6231 124.3904 54.8348 30.9951 175.4834 75 F 5.2464 8.7845 123.4244 54.3596 42.2984 173.4181 76 P 4.4685 0.0000 0.0000 64.4616 31.3962 176.8296 77 D 4.6385 9.3596 121.2593 54.6752 38.9597 173.3434 78 R 5.1550 8.2703 118.6271 54.9056 34.9732 173.3119 79 H 5.2183 9.4166 124.1528 54.5184 32.2787 172.6587 80 I 5.5843 8.5449 126.8899 59.1147 40.0206 174.7781 81 T 4.9729 8.4736 122.0612 61.6718 72.2367 172.5532 82 L 5.0951 9.0990 126.3733 52.8343 44.4773 175.3411 83 W 4.7143 9.3958 124.8716 55.0677 31.3462 175.1096 84 F 5.0290 9.2913 125.4106 55.8716 40.2918 175.0010 85 W 5.3580 9.4652 124.8638 54.9233 31.9712 175.1936 86 L 4.8367 9.3191 127.1912 54.0322 43.0018 175.3753 87 V 4.7719 9.2250 128.4643 62.0015 32.3334 175.6445 88 E 5.2084 9.3579 127.2334 56.4751 31.7627 176.4453 89 R 4.4676 8.1971 120.2512 54.2761 33.5544 173.6945 90 W 5.6714 7.8089 121.7279 55.6314 31.8672 172.8825 91 E 4.5558 9.3510 121.4044 55.7367 31.3065 175.3245 92 G 4.0515 9.3348 111.6296 44.5187 0.0000 171.6218 93 E 4.9076 8.3772 118.2202 53.3587 31.9853 173.7505 94 P 4.2851 0.0000 0.0000 62.3505 31.9312 175.4138 95 W 5.2310 8.2924 118.5948 55.4948 31.7799 174.9870 96 G 4.3289 8.6346 107.6476 43.2544 0.0000 174.1027 97 K 2.0000 6.7782 121.3233 58.9350 32.6020 177.1486 98 E 4.2268 7.6146 116.1512 56.1073 29.1931 177.1173 99 G 3.9001 8.0479 106.7758 45.5291 0.0000 174.2112 100 Q 4.3762 7.3910 117.4710 54.1104 30.4406 173.2229 101 P 4.4525 0.0000 0.0000 62.8492 32.5853 175.6586 102 G 4.2468 8.2659 109.3505 45.0934 0.0000 171.6055 103 E 4.7125 7.9281 119.5757 54.7807 33.4572 174.1012 104 W 4.9265 8.7980 120.9946 56.6249 30.3621 175.8245 105 M 4.9408 9.2179 123.9171 53.1093 35.4394 175.2542 106 S 4.4856 8.8264 117.8298 58.1852 63.5958 174.3953 107 L 4.0275 8.8075 129.7188 58.5334 41.6527 179.3336 108 V 3.7598 8.0028 116.4165 65.7176 31.4637 177.1326 109 G 3.9057 7.6991 102.5565 43.9603 0.0000 174.0205 110 L 4.1745 7.4036 121.7037 54.8920 42.3828 176.0848 111 N 4.9124 8.7694 120.2343 51.3976 41.1167 174.6822 112 A 4.1338 8.8527 129.2196 55.4718 18.5547 178.7585 113 D 4.5648 8.2871 113.9529 56.7892 41.2235 176.9543 114 D 4.5139 8.6551 118.9785 55.0997 41.3191 175.9994 115 F 5.2519 7.6410 116.2699 53.6803 41.7556 173.7324 116 P 4.4657 0.0000 0.0000 61.7520 32.0312 175.8464 117 P 4.2547 0.0000 0.0000 66.5817 30.5037 178.3597 118 A 4.1796 8.1155 118.7873 55.0263 18.5538 178.4508 119 N 4.5825 8.4464 113.4030 54.1931 38.7972 176.6183 120 E 3.8904 8.1232 122.5740 59.1303 29.5480 177.1998 121 P 4.2432 0.0000 0.0000 65.6274 31.2689 178.4230 122 V 3.5218 7.4935 117.7975 65.5522 31.5242 177.8876 123 I 3.6143 7.8517 119.4652 64.3044 36.8327 178.0665 124 A 3.9787 7.9588 121.5407 55.2294 18.0203 179.6465 125 K 3.9264 7.8850 117.8605 59.6079 32.0405 179.0008 126 L 4.1083 8.0744 118.4737 57.8354 41.5689 179.4148 127 K 4.1880 7.8888 117.5723 59.3509 32.0766 179.3270 128 R 4.1365 7.5714 117.4606 58.8687 30.1275 176.5297 129 L 4.1418 7.6761 123.6587 55.4492 42.4076 174.6837 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 M 8.20 5.13 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 K 8.54 4.68 0.00 1.81 1.67 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.56 7.81 3 K 8.84 5.12 0.00 1.68 1.78 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 4 L 8.94 4.74 0.00 1.76 1.54 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.84 5.44 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.63 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 6 I 9.08 5.05 1.91 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 1.19 0.79 0.94 0.00 0.00 7 A 9.19 5.26 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 8 V 9.39 4.76 1.64 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 1.10 0.00 0.00 0.53 0.00 0.00 9 G 8.99 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 10 I 9.01 4.17 1.77 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 0.11 0.47 0.60 0.00 0.00 11 I 8.22 4.66 1.66 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.79 0.08 0.00 0.00 12 R 8.84 5.51 0.00 1.92 1.95 0.00 3.52 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 13 N 9.15 5.16 0.00 2.90 2.93 0.00 0.00 6.59 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 14 E 8.61 3.97 0.00 1.91 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 0.00 2.24 2.33 0.00 15 N 8.24 4.67 0.00 2.77 2.82 0.00 0.00 6.85 8.00 0.00 0.00 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 N 7.94 4.29 0.00 2.98 2.90 0.00 0.00 7.08 7.51 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 17 E 8.62 5.31 0.00 2.29 2.25 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 2.38 2.52 0.00 18 I 9.05 5.91 2.08 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 1.25 1.42 1.19 0.00 0.00 19 F 8.68 4.08 0.00 1.55 2.49 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 20 I 7.92 4.56 1.62 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.64 0.00 0.00 21 T 8.30 4.82 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 1.13 0.00 0.00 22 R 8.30 4.80 0.00 1.57 1.71 0.00 3.04 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.39 0.00 23 R 8.27 4.06 0.00 1.75 1.90 0.00 3.36 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 *32 K 7.47 4.12 0.00 1.64 1.64 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.43 7.81 33 L 8.03 4.67 0.00 0.27 0.61 0.48 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.21 4.49 0.00 2.02 1.96 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 2.06 2.19 0.00 35 F 8.53 5.24 0.00 3.14 3.22 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 36 P 0.00 4.53 0.00 2.07 1.96 0.00 4.12 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 2.20 2.17 0.00 37 G 8.02 4.56 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 38 G 7.57 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 39 K 8.84 4.64 0.00 1.79 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.50 7.81 40 I 8.45 4.19 1.88 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 0.84 0.00 0.00 41 E 9.17 4.22 0.00 1.98 1.85 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 2.30 2.37 0.00 42 M 8.31 4.21 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 43 G 9.05 3.99 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 0.00 0.00 0.00 44 E 7.61 4.59 0.00 2.05 1.81 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 2.25 2.20 0.00 45 T 8.41 4.33 4.28 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 1.18 0.00 0.00 46 P 0.00 3.87 0.00 1.92 0.70 0.00 3.41 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.31 0.00 47 E 7.87 3.37 0.00 1.94 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 0.00 2.25 1.99 0.00 48 Q 7.87 3.89 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 49 A 7.80 3.92 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 50 V 7.37 3.43 1.63 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 -0.31 0.00 0.00 0.77 0.00 0.00 51 V 7.15 3.25 2.07 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 0.90 0.00 0.00 0.72 0.00 0.00 52 R 7.81 3.95 0.00 1.85 1.82 0.00 3.20 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 53 E 8.36 3.88 0.00 1.99 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 2.34 2.45 0.00 54 L 7.73 3.99 0.00 1.78 1.54 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.89 4.28 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 56 E 8.13 3.91 0.00 1.99 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 0.00 2.29 2.48 0.00 57 E 8.47 4.10 0.00 1.93 1.88 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 2.54 2.44 0.00 58 V 6.77 4.85 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 0.93 0.00 0.00 0.69 0.00 0.00 59 G 7.70 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 60 I 7.40 4.75 1.96 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.01 0.72 0.00 0.00 61 T 8.40 4.67 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 1.24 0.00 0.00 62 P 0.00 4.69 0.00 1.36 1.70 0.00 3.47 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 63 Q 9.77 4.65 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 64 H 8.34 5.05 0.00 3.27 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.35 6.17 0.00 3.30 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 66 S 8.90 5.06 0.00 3.99 4.02 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 67 L 8.72 3.92 0.00 1.32 1.55 0.36 0.56 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 68 F 9.23 4.62 0.00 3.00 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 69 E 7.64 4.56 0.00 1.66 1.59 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 1.98 2.19 0.00 70 K 8.37 4.84 0.00 1.27 1.28 0.00 1.32 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.39 7.81 71 L 8.82 4.68 0.00 1.76 1.34 1.10 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.23 4.96 0.00 1.59 1.70 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 1.95 2.06 0.00 73 Y 8.90 4.28 0.00 2.38 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 0.00 0.00 0.00 74 E 8.62 4.73 0.00 1.77 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 0.00 2.21 2.24 0.00 75 F 8.78 5.25 0.00 3.09 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 76 P 0.00 4.47 0.00 2.09 2.07 0.00 3.90 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 77 D 9.36 4.64 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 78 R 8.27 5.16 0.00 1.88 1.90 0.00 3.31 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 79 H 9.42 5.22 0.00 3.20 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.54 5.58 1.88 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 1.35 1.00 1.05 0.00 0.00 81 T 8.47 4.97 4.35 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 0.72 0.00 0.00 82 L 9.10 5.10 0.00 1.67 1.38 1.27 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 83 W 9.40 4.71 0.00 3.25 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 84 F 9.29 5.03 0.00 3.09 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 85 W 9.47 5.36 0.00 3.28 3.32 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 86 L 9.32 4.84 0.00 1.76 1.73 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 V 9.22 4.77 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 1.16 0.00 0.00 0.94 0.00 0.00 88 E 9.36 5.21 0.00 2.08 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 0.00 2.41 2.39 0.00 89 R 8.20 4.47 0.00 1.84 1.89 0.00 3.11 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 90 W 7.81 5.67 0.00 3.43 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 91 E 9.35 4.56 0.00 2.31 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 2.28 2.28 0.00 92 G 9.33 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 93 E 8.38 4.91 0.00 2.00 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 2.29 2.53 0.00 94 P 0.00 4.29 0.00 0.69 0.49 0.00 4.05 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.45 0.00 95 W 8.29 5.23 0.00 3.64 3.12 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 96 G 8.63 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 97 K 6.78 2.00 0.00 0.79 1.44 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.14 0.93 7.81 98 E 7.61 4.23 0.00 1.82 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 2.18 2.24 0.00 99 G 8.05 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 0.00 0.00 0.00 100 Q 7.39 4.38 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 101 P 0.00 4.45 0.00 1.99 1.94 0.00 3.69 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 2.04 2.05 0.00 102 G 8.27 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 0.00 0.00 0.00 0.00 103 E 7.93 4.71 0.00 1.99 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 1.98 2.15 0.00 104 W 8.80 4.93 0.00 3.31 3.32 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 0.00 105 M 9.22 4.94 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 106 S 8.83 4.49 0.00 3.92 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 0.00 107 L 8.81 4.03 0.00 1.99 1.78 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.00 3.76 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 0.94 0.00 0.00 0.97 0.00 0.00 109 G 7.70 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 0.00 110 L 7.40 4.17 0.00 1.82 1.71 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.77 4.91 0.00 2.80 2.88 0.00 0.00 7.05 8.51 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 0.00 112 A 8.85 4.13 1.32 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 0.00 0.00 113 D 8.29 4.56 0.00 2.71 2.77 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 0.00 114 D 8.66 4.51 0.00 2.88 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 0.00 115 F 7.64 5.25 0.00 2.87 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 0.00 116 P 0.00 4.47 0.00 2.25 2.00 0.00 3.90 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 117 P 0.00 4.25 0.00 2.30 2.39 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 118 A 8.12 4.18 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 0.00 0.00 119 N 8.45 4.58 0.00 2.88 2.92 0.00 0.00 6.50 7.19 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 0.00 120 E 8.12 3.89 0.00 2.21 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 0.00 2.31 2.35 0.00 121 P 0.00 4.24 0.00 2.19 2.24 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 122 V 7.49 3.52 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 0.82 0.00 0.00 -0.15 0.00 0.00 123 I 7.85 3.61 1.91 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 0.81 0.00 0.00 124 A 7.96 3.98 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 0.00 125 K 7.88 3.93 0.00 1.81 2.03 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.33 7.81 126 L 8.07 4.11 0.00 1.89 1.71 0.82 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.89 4.19 0.00 1.93 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.64 7.81 128 R 7.57 4.14 0.00 1.89 2.01 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 129 L 7.68 4.14 0.00 1.54 1.52 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.