NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2604 8.2876 121.4730 55.9230 30.9212 175.5914 3 S 4.4293 8.3528 120.9408 57.5263 64.6541 172.7412 4 R 4.4590 8.5007 122.3366 53.6530 29.5351 176.0430 5 A 4.4655 7.2252 127.3723 51.7770 24.3481 179.3168 6 K 4.0867 7.5903 115.4978 59.4005 32.0426 179.5137 7 K 4.3250 7.7206 120.5221 58.7951 32.0130 178.6744 8 F 4.1587 8.1382 120.7587 61.2544 39.4430 177.0646 9 Q 4.0820 7.9888 117.8816 58.8715 28.2804 178.7664 10 R 3.8762 8.1481 119.1733 59.5727 30.2767 178.2023 11 Q 3.9955 8.0755 116.6667 57.6467 29.1559 176.3362 12 H 4.7151 8.0471 113.4904 53.9063 30.5624 172.5692 13 M 4.8774 7.7743 119.9871 53.7714 34.1655 176.6556 14 D 4.7017 8.6259 122.2789 52.8962 41.7829 174.9619 15 S 4.3747 7.5605 116.2758 62.6125 63.8319 175.8289 16 D 4.6696 7.8999 117.7353 54.9057 40.5767 176.1756 17 S 4.5544 7.6152 114.5940 56.7168 63.3251 174.0274 18 S 4.1803 8.5636 121.4452 58.1549 62.7400 172.6195 19 P 3.9577 0.0000 0.0000 65.8535 31.3640 178.8684 20 S 4.4013 7.5411 115.0196 58.4462 59.9841 174.2380 21 S 4.0110 7.6401 119.0587 58.3450 63.7392 174.0468 22 S 4.7268 8.1770 117.2090 56.4045 65.0637 174.9067 23 S 4.4948 8.6055 111.9620 59.5346 62.5492 175.1342 24 T 4.4576 7.6424 112.6338 63.5737 69.3031 174.6205 25 Y 3.7764 7.9593 119.6989 61.8168 38.5328 177.4325 26 C 4.3777 8.8839 116.0206 60.4954 39.0910 176.1979 27 N 4.3345 8.2716 117.2140 56.3412 38.0200 177.0987 28 Q 3.7144 8.6726 121.3902 59.4923 29.2113 178.0055 29 M 3.6698 8.8131 120.0061 58.5083 31.8427 178.7962 30 M 4.0298 8.1938 119.1154 57.9571 32.0620 178.9505 31 R 3.8429 7.3953 119.3316 59.5968 30.2016 178.7287 32 R 3.9732 7.8576 116.4600 58.8055 29.9848 178.1627 33 R 4.3809 7.9630 116.2031 55.0548 30.8807 176.0543 34 N 4.1889 7.8394 113.8504 55.2289 36.6696 174.7385 35 M 4.6182 8.0973 114.7260 55.3775 32.8516 177.2054 36 T 5.1595 7.5714 108.2008 60.3775 69.4700 173.4922 37 Q 4.5418 8.4594 121.2019 56.6999 30.2754 175.0808 38 G 4.2704 9.9089 116.6575 45.3992 0.0000 173.6043 39 R 4.1677 7.0299 117.9919 53.5461 34.1471 175.2104 40 C 4.5171 8.7755 119.1368 56.2885 40.4252 173.5207 41 K 4.1238 9.1329 128.0556 55.7901 32.2733 174.2216 42 P 4.6698 0.0000 0.0000 65.7176 31.7219 176.5162 43 V 5.0576 7.6004 117.2367 59.8401 34.5835 173.7633 44 N 4.8101 8.6901 120.3981 52.7033 42.9171 172.9508 45 T 4.8623 7.8085 120.3899 61.6365 72.1263 172.7504 46 F 4.8994 8.6770 124.3453 55.7375 42.0074 174.6978 47 V 4.5135 8.8022 122.7176 61.3466 33.3878 175.5523 48 H 5.3082 9.1193 128.5512 53.9789 26.2530 174.1074 49 E 4.7928 7.6844 119.0850 54.0497 34.3174 173.4303 50 P 4.4161 0.0000 0.0000 62.3401 32.3788 177.2787 51 L 4.0262 8.9248 124.0893 58.6757 41.8737 179.8304 52 V 4.0531 7.7923 119.5501 64.4323 30.9016 177.9962 53 D 4.3594 8.0232 118.7773 57.2435 40.4760 178.5895 54 V 3.8144 7.7969 118.1843 65.8230 31.1050 177.9743 55 Q 3.9573 8.6073 118.4660 58.7752 28.5001 178.2095 56 N 4.6908 8.2726 117.3817 55.9152 38.4622 177.4174 57 V 3.6856 7.4359 118.9050 65.9921 31.2586 177.0986 58 C 3.3110 7.4514 114.5515 58.1985 39.8272 174.6787 59 F 4.6593 7.7797 117.1666 58.7419 40.1513 176.0063 60 Q 4.5199 8.1505 122.1229 55.3767 29.4940 174.8604 61 E 4.1289 8.7868 122.9109 57.3886 30.6425 177.3809 62 K 4.4613 8.7821 128.5573 56.7724 33.3442 175.8434 63 V 4.4537 8.4679 118.5492 60.6812 36.9403 173.1464 64 T 4.5590 8.1465 118.1437 62.7332 69.7423 176.2487 65 C 4.6703 8.3892 122.7231 56.1185 41.3006 174.7200 66 K 3.7893 8.7949 123.9898 59.7294 31.7330 178.1279 67 N 4.3232 8.0656 114.2958 54.9290 37.1790 175.3437 68 G 4.0345 7.7346 104.3532 45.1519 0.0000 174.0061 69 Q 4.1238 8.3698 120.1026 55.7152 29.3439 176.2516 70 G 4.0717 8.2342 112.3848 42.6751 0.0000 172.9254 71 N 4.4910 7.1065 128.1703 53.6512 39.0019 175.0692 72 C 5.0541 7.4488 116.3371 56.5361 45.4029 173.4612 73 Y 5.2422 8.6490 115.9264 56.5327 42.1945 174.4243 74 K 5.1109 9.0164 124.8331 54.3953 34.2268 176.1599 75 S 4.5283 8.7100 122.1325 58.4108 63.4019 174.3349 76 N 4.5036 9.8058 119.5969 55.5354 38.5558 175.7263 77 S 4.6112 7.5963 110.2810 55.7190 65.1348 173.3008 78 S 4.2347 8.1560 119.4819 58.1158 63.0216 173.9225 79 M 4.3336 8.6978 125.9820 54.7098 33.9620 175.8103 80 H 5.0426 9.0139 118.8491 55.6621 29.7028 174.6554 81 I 5.0422 9.1791 117.1554 59.2056 41.7951 174.4529 82 T 5.0034 8.6982 117.6867 62.0485 72.0790 173.2816 83 D 5.0688 9.8026 127.8143 53.4449 43.1104 174.8388 84 C 5.5633 8.9490 119.7592 55.2316 38.6164 172.7921 85 R 4.8576 9.1533 124.9910 53.9744 32.4158 174.5954 86 L 4.1218 8.4223 129.1306 55.1760 42.8001 176.6924 87 T 4.1204 8.7866 117.2208 61.1496 70.2352 175.0343 88 N 4.4700 8.7604 119.5783 53.9162 38.0943 175.8308 89 G 4.0730 7.3882 104.0158 45.0205 0.0000 174.2077 90 S 4.1807 7.8910 116.9157 58.2504 63.4731 174.0469 91 R 4.4109 8.2184 123.5875 54.3930 31.6451 173.4534 92 Y 4.3229 8.7744 126.5581 58.0233 39.0377 174.5128 93 P 3.6320 0.0000 0.0000 62.6514 31.9006 176.2229 94 N 4.6718 7.8341 117.2696 52.8061 37.8936 175.2903 95 C 4.2201 7.8955 114.8502 57.4871 38.6648 173.8846 96 A 4.8458 8.4529 124.4802 50.4861 21.8324 174.6268 97 Y 5.1899 9.6550 120.0414 56.1319 41.8532 175.0282 98 R 4.6043 9.1899 122.4591 55.2826 32.1829 175.0025 99 T 4.8943 8.5859 123.2049 62.6741 69.9191 174.6183 100 S 4.6847 9.7267 124.1710 55.9119 65.3581 171.4329 101 P 4.9204 0.0000 0.0000 62.4296 32.6741 175.3929 102 K 4.3946 9.0342 120.3246 56.7836 36.6464 173.3147 103 E 5.2039 8.7828 119.4371 54.8790 31.4102 176.0607 104 R 4.8167 9.0329 122.9116 54.9217 35.4320 174.6602 105 H 5.0354 9.1335 118.5208 55.8173 30.3466 174.5636 106 I 4.8522 8.3741 113.5862 59.2665 41.0895 174.7509 107 I 5.4357 8.2734 123.5024 58.9937 40.1157 175.0760 108 V 4.7604 8.2651 119.3634 59.3044 35.2076 174.3867 109 A 5.0147 8.7676 123.8295 50.5623 21.4199 175.2715 110 C 5.2045 8.0281 114.9816 54.4535 38.5122 173.1994 111 E 4.6931 8.2414 120.0072 56.6455 34.3475 175.1197 112 G 4.1188 9.8432 108.5525 45.2755 0.0000 172.5348 113 S 4.5406 8.2654 114.1396 56.1870 64.3184 172.8873 114 P 4.4558 0.0000 0.0000 62.5925 31.6877 175.3400 115 Y 4.7392 8.6146 121.9288 58.3271 39.2062 175.3016 116 V 4.3277 8.1820 118.4085 58.8812 36.9967 172.4582 117 P 4.3158 0.0000 0.0000 62.8934 31.3970 176.7284 118 V 4.4908 9.2503 116.0458 60.1953 34.0390 174.9813 119 H 4.5435 7.7146 119.7130 55.9110 32.1311 172.8561 120 F 4.6724 8.7334 129.2142 57.0568 39.6458 174.3802 121 D 4.6755 8.6275 129.0979 56.2254 41.8783 175.7575 122 A 4.6199 6.7999 117.5597 51.6524 22.3515 174.7735 123 S 5.2110 8.8780 113.1235 56.6443 66.0852 173.7574 124 V 4.3676 8.9257 121.6683 61.3009 34.6822 174.1370 125 E 5.0395 8.9219 128.7818 54.5127 28.9235 174.6409 126 D 4.8568 8.6003 122.0584 52.3450 40.8826 177.0025 127 S 4.3817 7.9782 119.7496 58.5933 63.2600 173.8125 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 2 E 8.29 4.26 0.00 2.03 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 2.30 2.33 0.00 3 S 8.35 4.43 0.00 4.15 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 4 R 8.50 4.46 0.00 1.84 1.96 0.00 3.45 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 5 A 7.23 4.47 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 6 K 7.59 4.09 0.00 1.95 1.90 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.61 7.81 7 K 7.72 4.32 0.00 2.09 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.32 7.81 8 F 8.14 4.16 0.00 3.25 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 4.08 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.81 0.00 10 R 8.15 3.88 0.00 1.78 2.08 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 11 Q 8.08 4.00 0.00 1.61 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 12 H 8.05 4.72 0.00 1.98 2.69 0.00 5.59 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 13 M 7.77 4.88 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 14 D 8.63 4.70 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.56 4.37 0.00 3.93 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 16 D 7.90 4.67 0.00 2.68 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 17 S 7.62 4.55 0.00 4.15 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 18 S 8.56 4.18 0.00 3.83 3.72 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 19 P 0.00 3.96 0.00 1.94 1.93 0.00 3.63 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 1.85 1.95 0.00 20 S 7.54 4.40 0.00 3.79 3.78 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 21 S 7.64 4.01 0.00 3.56 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.73 0.00 4.00 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 23 S 8.61 4.49 0.00 4.03 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 24 T 7.64 4.46 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 1.23 0.00 0.00 25 Y 7.96 3.78 0.00 3.14 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 26 C 8.88 4.38 0.00 3.17 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 27 N 8.27 4.33 0.00 2.98 2.93 0.00 0.00 6.71 7.74 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 28 Q 8.67 3.71 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 29 M 8.81 3.67 0.00 0.88 1.25 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.56 0.00 30 M 8.19 4.03 0.00 1.65 1.84 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 2.46 0.00 31 R 7.40 3.84 0.00 2.14 2.02 0.00 3.09 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 1.61 1.67 0.00 32 R 7.86 3.97 0.00 1.68 1.90 0.00 3.05 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 33 R 7.96 4.38 0.00 1.89 2.08 0.00 3.56 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.00 0.00 34 N 7.84 4.19 0.00 2.89 3.04 0.00 0.00 6.74 6.94 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 35 M 8.10 4.62 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 36 T 7.57 5.16 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 37 Q 8.46 4.54 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 38 G 9.91 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.03 4.17 0.00 1.68 1.67 0.00 3.18 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.44 0.00 40 C 8.78 4.52 0.00 3.01 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 41 K 9.13 4.12 0.00 1.85 1.81 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.39 7.81 42 P 0.00 4.67 0.00 2.18 2.33 0.00 3.75 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 2.11 2.01 0.00 43 V 7.60 5.06 2.13 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 0.72 0.00 0.00 1.01 0.00 0.00 44 N 8.69 4.81 0.00 2.56 2.29 0.00 0.00 6.88 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 45 T 7.81 4.86 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 1.04 0.00 0.00 46 F 8.68 4.90 0.00 3.04 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 47 V 8.80 4.51 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 1.09 0.00 0.00 1.15 0.00 0.00 48 H 9.12 5.31 0.00 3.21 3.27 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.68 4.79 0.00 2.02 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 2.39 2.34 0.00 50 P 0.00 4.42 0.00 2.21 2.00 0.00 3.82 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 2.14 2.11 0.00 51 L 8.92 4.03 0.00 1.82 1.74 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.79 4.05 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 1.00 0.00 0.00 0.96 0.00 0.00 53 D 8.02 4.36 0.00 2.93 2.81 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 54 V 7.80 3.81 2.23 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 1.28 0.00 0.00 1.08 0.00 0.00 55 Q 8.61 3.96 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 56 N 8.27 4.69 0.00 2.81 2.95 0.00 0.00 6.56 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.44 3.69 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 1.13 0.00 0.00 1.04 0.00 0.00 58 C 7.45 3.31 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.78 4.66 0.00 3.03 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 60 Q 8.15 4.52 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 61 E 8.79 4.13 0.00 2.10 2.01 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 2.40 2.35 0.00 62 K 8.78 4.46 0.00 1.91 1.67 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.01 7.81 63 V 8.47 4.45 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.87 0.00 0.00 64 T 8.15 4.56 4.19 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 1.23 0.00 0.00 65 C 8.39 4.67 0.00 3.00 2.95 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 66 K 8.79 3.79 0.00 1.85 1.86 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.41 7.81 67 N 8.07 4.32 0.00 2.85 2.91 0.00 0.00 6.20 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 68 G 7.73 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 69 Q 8.37 4.12 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 70 G 8.23 4.07 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 0.00 71 N 7.11 4.49 0.00 2.92 2.98 0.00 0.00 5.97 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 72 C 7.45 5.05 0.00 2.79 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 73 Y 8.65 5.24 0.00 2.74 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 74 K 9.02 5.11 0.00 1.67 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.35 7.81 75 S 8.71 4.53 0.00 3.92 3.85 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 76 N 9.81 4.50 0.00 2.71 2.94 0.00 0.00 6.69 7.90 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 77 S 7.60 4.61 0.00 3.76 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 78 S 8.16 4.23 0.00 3.95 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 79 M 8.70 4.33 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.52 0.00 80 H 9.01 5.04 0.00 3.27 3.27 0.00 5.55 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 9.18 5.04 2.04 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 1.30 1.02 1.10 0.00 0.00 82 T 8.70 5.00 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 1.14 0.00 0.00 83 D 9.80 5.07 0.00 2.52 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 84 C 8.95 5.56 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 9.15 4.86 0.00 1.88 1.81 0.00 3.13 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 86 L 8.42 4.12 0.00 1.84 1.48 0.21 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.79 4.12 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 1.24 0.00 0.00 88 N 8.76 4.47 0.00 2.72 2.86 0.00 0.00 6.70 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 89 G 7.39 4.07 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 0.00 90 S 7.89 4.18 0.00 3.85 3.71 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 91 R 8.22 4.41 0.00 1.77 1.73 0.00 3.21 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 92 Y 8.77 4.32 0.00 3.09 2.86 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 0.00 0.00 0.00 93 P 0.00 3.63 0.00 1.75 0.94 0.00 3.62 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 94 N 7.83 4.67 0.00 2.83 2.80 0.00 0.00 6.89 7.25 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 95 C 7.90 4.22 0.00 3.10 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 96 A 8.45 4.85 1.15 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 0.00 0.00 0.00 97 Y 9.65 5.19 0.00 2.91 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 98 R 9.19 4.60 0.00 1.88 1.84 0.00 3.10 0.00 0.00 3.19 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 99 T 8.59 4.89 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 100 S 9.73 4.68 0.00 3.68 3.78 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 0.00 101 P 0.00 4.92 0.00 2.00 1.91 0.00 3.79 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 1.94 1.89 0.00 102 K 9.03 4.39 0.00 1.77 1.94 0.00 1.42 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.39 7.81 103 E 8.78 5.20 0.00 1.84 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 2.27 2.35 0.00 104 R 9.03 4.82 0.00 1.73 2.00 0.00 3.32 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 105 H 9.13 5.04 0.00 3.10 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.37 4.85 1.46 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 1.22 0.77 1.08 0.00 0.00 107 I 8.27 5.44 1.83 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 1.18 1.13 0.87 0.00 0.00 108 V 8.27 4.76 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 0.56 0.00 0.00 0.79 0.00 0.00 109 A 8.77 5.01 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 0.00 110 C 8.03 5.20 0.00 1.85 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.24 4.69 0.00 1.88 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 2.35 2.29 0.00 112 G 9.84 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 0.00 0.00 0.00 0.00 113 S 8.27 4.54 0.00 3.82 3.75 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 0.00 114 P 0.00 4.46 0.00 2.30 2.10 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 115 Y 8.61 4.74 0.00 2.99 2.91 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 0.00 116 V 8.18 4.33 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 0.72 0.00 0.00 0.91 0.00 0.00 117 P 0.00 4.32 0.00 0.49 0.95 0.00 3.28 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 118 V 9.25 4.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.97 0.00 0.00 119 H 7.71 4.54 0.00 3.24 3.14 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.73 4.67 0.00 2.61 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 0.00 121 D 8.63 4.68 0.00 2.73 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 0.00 122 A 6.80 4.62 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 0.00 123 S 8.88 5.21 0.00 3.99 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 0.00 124 V 8.93 4.37 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 0.91 0.00 0.00 0.92 0.00 0.00 125 E 8.92 5.04 0.00 2.02 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 2.29 0.00 126 D 8.60 4.86 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.98 4.38 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