NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1741 8.1727 122.0517 56.2893 34.1552 174.1543 2 V 4.6335 8.1624 126.5943 60.6394 32.4470 174.4264 3 F 4.3321 9.9322 128.6903 57.5417 40.1584 174.8414 4 E 4.3229 8.8089 120.9717 55.4612 31.0586 176.8357 5 R 3.2517 8.9743 121.4298 60.7834 29.9175 179.4935 6 C 4.2902 8.0039 115.3179 59.5922 37.0184 175.7653 7 E 3.8736 8.0611 120.8166 59.1699 29.2804 178.4344 8 L 3.5762 8.0720 120.2720 57.8374 42.1345 178.5918 9 A 3.9112 7.9407 120.7844 55.4942 18.4246 179.9472 10 R 3.9293 8.1768 116.4798 59.4472 30.1827 179.5392 11 T 3.8568 7.7566 115.7259 66.6739 68.5060 176.7743 12 L 3.8907 7.9946 121.0538 57.4343 41.5732 179.5396 13 K 3.9195 7.8850 119.2317 59.5655 31.9743 178.9596 14 R 3.9710 7.7068 117.4533 58.8799 30.0033 177.4252 15 L 4.4012 7.4106 116.2603 53.9859 41.7381 176.7636 16 G 3.8614 7.8348 106.7589 47.0229 0.0000 175.1989 17 M 3.8942 7.9265 121.1676 56.3417 32.4020 175.6631 18 D 4.3654 7.9935 117.5633 56.1700 40.9632 175.6061 19 G 3.9471 9.4590 115.6224 45.4791 0.0000 171.1984 20 Y 4.1391 8.2940 122.0128 58.6375 38.9246 176.3845 21 R 3.6095 8.9399 126.4430 57.2666 27.7867 177.2751 22 G 3.8226 8.0917 103.6990 45.6488 0.0000 174.1127 23 I 4.0943 7.7126 122.2937 59.2397 38.0048 175.8397 24 S 4.6132 8.3475 120.4013 57.6495 64.0234 174.8053 25 L 4.2280 9.0932 123.8122 58.7395 41.7748 179.4473 26 A 4.1512 8.2166 119.8996 55.2753 18.2391 179.2312 27 N 4.4986 8.2926 115.2762 56.2371 38.5429 177.7001 28 W 4.2379 8.0554 119.9815 59.9568 29.1972 178.3565 29 M 4.1670 8.5269 118.9209 58.5460 31.4498 177.9383 30 C 3.1616 8.1279 118.6052 59.0736 44.4660 175.4178 31 L 3.9268 8.1639 121.6640 58.2594 41.7946 178.7247 32 A 4.1326 8.4574 121.0504 54.9998 18.1249 179.4786 33 K 2.7586 8.1124 117.9858 59.2901 32.0480 179.0872 34 W 4.2907 7.6125 117.1211 58.9219 29.0823 178.4500 35 E 4.3072 8.3178 118.6955 58.6348 29.2095 177.7206 36 S 4.5356 7.9356 110.2195 56.6368 64.4461 174.6678 37 G 3.1774 7.8194 108.9108 46.6460 0.0000 173.8486 38 F 3.9567 7.8673 114.6102 57.9939 36.2383 173.7824 39 N 5.3942 7.5306 119.1626 52.0059 39.6524 175.8765 40 T 4.1041 9.1173 117.4911 63.7500 69.1636 175.8472 41 R 4.4982 8.0040 116.9055 55.5567 30.1945 176.1802 42 A 4.2916 7.6538 121.5464 52.8252 19.2237 176.9677 43 T 4.9904 8.4418 111.7316 59.9170 72.4769 173.1834 44 N 4.8521 8.7772 121.9040 52.2996 42.2347 172.3963 45 Y 4.5815 8.7349 128.2755 57.3246 40.7793 173.8544 46 N 4.7150 8.4394 125.0271 51.2923 38.6866 175.2988 47 A 3.7745 8.4526 127.7034 55.0013 18.8260 178.9936 48 G 3.8326 8.1453 103.7271 48.2240 0.0000 173.7777 49 D 4.7285 7.5190 116.0273 52.0222 40.1583 176.2161 50 R 4.1222 8.0660 115.7687 56.9598 28.1608 175.8702 51 S 4.9411 7.2312 111.8568 57.1319 66.3421 172.8279 52 T 5.0810 8.7701 115.9972 61.9548 72.6896 172.8369 53 D 5.4509 9.0607 125.4923 53.3424 43.1406 175.0735 54 Y 4.9625 9.1527 120.7785 57.4736 41.6334 177.2808 55 G 4.3646 9.0405 112.2258 46.0966 0.0000 173.3000 56 I 3.9813 8.2589 116.8624 63.1469 37.8450 177.4114 57 F 4.6902 7.9437 115.3145 56.5740 39.7697 175.2706 58 Q 3.6034 7.9060 119.3463 57.1019 26.6125 174.3111 59 I 4.3747 8.1381 118.8882 61.1763 39.1781 176.9100 60 N 5.3210 9.2613 126.3775 53.3736 39.6387 175.8323 61 S 4.6403 9.0576 120.9137 60.5313 63.2963 175.5468 62 R 3.7123 8.6939 121.8678 58.5438 30.3648 177.7800 63 Y 4.1537 7.5623 114.4755 58.1951 40.6778 177.2173 64 W 4.6755 7.9570 118.9194 57.7952 30.0463 173.7391 65 C 5.5835 7.8803 110.6267 53.4841 44.4919 171.8198 66 N 5.0279 8.9617 119.8693 52.1367 39.5997 174.8541 67 D 4.7963 8.5183 122.9530 52.2117 40.6087 177.9990 68 G 4.0425 8.5094 108.6019 45.8854 0.0000 174.6253 69 K 4.4069 7.8283 116.3688 56.7014 33.2565 176.0429 70 T 4.3791 7.7991 117.3586 61.6849 69.1932 172.8797 71 P 4.2364 0.0000 0.0000 63.9536 31.9827 176.4016 72 G 3.9116 8.4883 110.0203 46.5031 0.0000 172.5848 73 A 4.6483 7.6846 118.2367 50.3386 21.5243 177.2690 74 V 4.3386 8.2399 112.3805 59.3222 35.6688 176.1284 75 N 4.9281 8.1018 117.2014 51.9742 37.7405 174.4590 76 A 3.9438 8.9978 125.3899 54.8645 19.1008 178.6122 77 C 4.4829 8.5103 111.2971 57.5398 41.0750 173.0171 78 H 4.0986 7.8493 116.3147 56.6498 26.2117 174.1703 79 L 4.8322 8.4462 118.0326 52.8854 46.4648 176.6091 80 S 4.6738 8.3660 115.4272 57.9456 63.3040 176.0323 81 C 4.1251 8.8091 124.6705 59.6430 40.1220 176.3576 82 S 3.9186 7.6703 114.9318 61.2717 61.6478 175.9638 83 A 4.1172 7.8579 122.5274 54.4304 17.9549 177.9548 84 L 4.4284 7.7343 116.3201 55.1584 41.7752 177.6652 85 L 4.9950 7.7363 117.3376 54.5258 42.2967 176.7282 86 Q 4.3555 7.7593 117.8361 55.5096 29.5062 175.9275 87 D 4.4146 8.5076 119.5784 56.9501 41.1956 176.7224 88 N 4.5903 8.0226 118.1909 53.0875 39.0844 174.5374 89 I 4.2464 8.4609 119.1447 61.1151 37.9698 177.0430 90 A 3.9402 8.4653 125.1439 56.0209 18.1300 180.2244 91 D 4.3076 8.0786 116.5214 57.3853 40.9531 178.6789 92 A 4.0902 7.9843 120.9235 55.1333 18.3841 179.7509 93 V 3.4106 8.1690 116.8598 66.0004 31.7363 178.1875 94 A 3.8281 7.9667 120.6247 55.1904 18.1765 178.8334 95 C 4.2562 8.4827 117.0107 59.5835 38.0748 175.6200 96 A 3.9394 8.1166 122.5872 55.0164 17.6360 179.7100 97 K 3.7090 7.6461 116.1813 59.4571 32.4182 179.1771 98 R 4.0592 7.7008 118.5400 59.3077 30.1188 178.6287 99 V 2.2072 7.4098 117.9373 65.6453 31.4568 177.8589 100 V 3.9336 7.6018 109.3176 62.4313 31.3379 177.9490 101 R 4.2630 7.6543 117.6514 57.1799 30.5891 176.4743 102 D 4.7278 7.3909 119.0594 52.6129 41.8288 175.2953 103 P 4.2374 0.0000 0.0000 66.3162 31.3209 177.9549 104 Q 4.0128 8.1564 117.3143 56.4602 30.1336 177.3402 105 G 3.6851 7.7593 106.8221 47.0751 0.0000 176.7801 106 I 3.5777 7.7867 121.7102 63.3590 37.8890 177.7381 107 R 4.1851 7.3474 117.6096 57.9513 29.9524 177.5270 108 A 3.8996 7.5701 120.4327 53.9815 18.7169 177.4402 109 W 4.7588 8.0458 116.8892 55.1997 30.0530 177.3370 110 V 3.7309 8.7590 123.7446 66.0452 30.8743 177.5171 111 A 4.0386 8.3266 120.1365 54.9506 18.0990 179.1895 112 W 4.0073 8.4093 126.5949 60.5970 30.5544 178.4544 113 R 3.7094 8.1536 116.4798 59.3425 29.7091 178.3632 114 N 4.3872 7.9349 115.1350 55.3690 38.6917 176.7470 115 R 4.1745 7.6077 113.3262 55.9651 30.4591 175.5258 116 C 4.6011 7.7176 116.5412 57.9241 42.8071 174.3842 117 Q 3.1531 6.6215 119.4141 57.0936 28.7687 175.2720 118 N 4.1732 8.6067 120.9272 54.5133 36.2005 173.7703 119 R 4.5556 7.3452 114.9061 54.1414 33.5022 175.9053 120 D 4.5856 8.3410 118.9317 53.7699 39.7653 175.9253 121 V 4.3947 8.1116 117.6813 61.4526 32.4807 178.5518 122 R 4.0161 8.1903 121.2755 59.2977 29.6415 178.4651 123 Q 3.9413 8.1134 116.9616 59.8639 27.9530 178.6218 124 Y 4.4620 7.4837 117.0280 59.7756 38.2882 176.9859 125 V 4.4269 7.8487 111.0235 60.6059 33.3716 175.4937 126 Q 4.1959 7.5968 119.2821 57.2512 28.7574 176.9950 127 G 3.9673 8.9633 110.6562 45.8444 0.0000 174.4771 128 C 4.4193 7.9580 115.5861 56.8925 40.5940 174.0621 129 G 3.8638 8.1915 107.2634 46.6378 0.0000 174.1195 130 V 4.0153 7.8235 118.0735 61.1086 32.2273 175.7620 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.17 4.17 0.00 1.99 1.65 0.00 1.23 0.00 0.00 0.91 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 1.14 7.81 2 V 8.16 4.63 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 0.92 0.00 0.00 0.95 0.00 0.00 3 F 9.93 4.33 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 4 E 8.81 4.32 0.00 1.88 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 2.31 2.24 0.00 5 R 8.97 3.25 0.00 1.95 1.92 0.00 3.47 0.00 0.00 3.51 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 6 C 8.00 4.29 0.00 3.00 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 7 E 8.06 3.87 0.00 2.05 2.21 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 2.51 2.39 0.00 8 L 8.07 3.58 0.00 1.30 1.31 -0.08 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.94 3.91 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 10 R 8.18 3.93 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 11 T 7.76 3.86 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 1.21 0.00 0.00 12 L 7.99 3.89 0.00 1.60 1.58 0.93 0.73 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 13 K 7.89 3.92 0.00 1.96 1.92 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.71 3.97 0.00 1.99 2.07 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.41 4.40 0.00 1.69 1.55 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.83 3.86 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 0.00 0.00 0.00 17 M 7.93 3.89 0.00 1.29 1.95 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.21 0.00 18 D 7.99 4.37 0.00 2.67 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 19 G 9.46 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 20 Y 8.29 4.14 0.00 3.34 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 21 R 8.94 3.61 0.00 1.94 1.86 0.00 3.20 0.00 0.00 2.96 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.47 0.00 22 G 8.09 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 23 I 7.71 4.09 1.87 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.62 -0.23 0.00 0.00 24 S 8.35 4.61 0.00 4.07 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 25 L 9.09 4.23 0.00 2.04 1.82 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.22 4.15 1.52 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 0.00 0.00 27 N 8.29 4.50 0.00 2.82 2.78 0.00 0.00 6.90 7.16 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 28 W 8.06 4.24 0.00 3.54 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 29 M 8.53 4.17 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.90 0.00 30 C 8.13 3.16 0.00 2.74 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.16 3.93 0.00 1.86 1.83 0.69 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.46 4.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.11 2.76 0.00 1.54 1.69 0.00 0.64 0.00 0.00 1.09 0.00 0.00 2.58 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.01 0.23 7.81 34 W 7.61 4.29 0.00 3.32 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 35 E 8.32 4.31 0.00 2.01 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 0.00 2.53 2.37 0.00 36 S 7.94 4.54 0.00 4.08 4.20 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 37 G 7.82 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 0.00 0.00 0.00 38 F 7.87 3.96 0.00 3.30 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 39 N 7.53 5.39 0.00 2.85 2.83 0.00 0.00 7.00 7.10 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 40 T 9.12 4.10 4.47 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 1.46 0.00 0.00 41 R 8.00 4.50 0.00 2.00 2.10 0.00 3.09 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 1.57 1.71 0.00 42 A 7.65 4.29 1.36 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 43 T 8.44 4.99 4.06 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 1.34 0.00 0.00 44 N 8.78 4.85 0.00 3.04 2.66 0.00 0.00 6.83 6.93 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 45 Y 8.73 4.58 0.00 3.09 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 46 N 8.44 4.72 0.00 2.62 2.60 0.00 0.00 6.51 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.45 3.77 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 48 G 8.15 3.83 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 0.00 0.00 0.00 49 D 7.52 4.73 0.00 2.74 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 50 R 8.07 4.12 0.00 2.06 2.19 0.00 3.13 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 51 S 7.23 4.94 0.00 3.91 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 52 T 8.77 5.08 4.14 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 0.00 0.00 0.56 0.00 0.00 53 D 9.06 5.45 0.00 2.70 2.83 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 54 Y 9.15 4.96 0.00 2.99 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 55 G 9.04 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.26 3.98 1.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.82 0.13 0.00 0.00 57 F 7.94 4.69 0.00 3.25 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 58 Q 7.91 3.60 0.00 2.51 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 59 I 8.14 4.37 2.15 0.00 0.00 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 1.46 1.16 1.17 0.00 0.00 60 N 9.26 5.32 0.00 3.08 3.03 0.00 0.00 6.97 7.38 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 61 S 9.06 4.64 0.00 4.07 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.69 3.71 0.00 1.59 1.33 0.00 2.69 0.00 0.00 2.90 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 63 Y 7.56 4.15 0.00 1.43 1.68 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 64 W 7.96 4.68 0.00 3.55 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 C 7.88 5.58 0.00 3.21 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 66 N 8.96 5.03 0.00 2.78 2.70 0.00 0.00 7.06 8.44 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 67 D 8.52 4.80 0.00 2.98 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 68 G 8.51 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.83 4.41 0.00 1.84 1.93 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 70 T 7.80 4.38 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 1.19 0.00 0.00 71 P 0.00 4.24 0.00 2.02 1.98 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.49 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 73 A 7.68 4.65 1.22 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 0.00 0.00 74 V 8.24 4.34 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 0.63 0.00 0.00 0.86 0.00 0.00 75 N 8.10 4.93 0.00 2.77 2.62 0.00 0.00 6.77 8.16 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 76 A 9.00 3.94 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 77 C 8.51 4.48 0.00 3.31 3.23 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 78 H 7.85 4.10 0.00 3.32 3.37 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.45 4.83 0.00 1.66 1.50 0.97 1.11 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 80 S 8.37 4.67 0.00 3.83 3.69 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 81 C 8.81 4.13 0.00 2.26 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 82 S 7.67 3.92 0.00 3.83 3.83 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 83 A 7.86 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.73 4.43 0.00 1.93 1.82 1.06 0.61 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 85 L 7.74 4.99 0.00 1.79 1.72 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.76 4.36 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 87 D 8.51 4.41 0.00 2.63 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 88 N 8.02 4.59 0.00 2.69 2.75 0.00 0.00 6.97 7.94 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 89 I 8.46 4.25 1.79 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 1.61 0.46 0.97 0.00 0.00 90 A 8.47 3.94 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 91 D 8.08 4.31 0.00 2.72 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 92 A 7.98 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.17 3.41 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 0.79 0.00 0.00 0.90 0.00 0.00 94 A 7.97 3.83 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.48 4.26 0.00 3.13 3.28 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 96 A 8.12 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.65 3.71 0.00 1.61 1.38 0.00 1.31 0.00 0.00 0.88 0.00 0.00 2.27 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.96 7.81 98 R 7.70 4.06 0.00 1.99 2.13 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 99 V 7.41 2.21 1.77 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 -0.29 0.00 0.00 -0.69 0.00 0.00 100 V 7.60 3.93 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 1.15 0.00 0.00 1.44 0.00 0.00 101 R 7.65 4.26 0.00 2.13 2.05 0.00 3.24 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 102 D 7.39 4.73 0.00 3.08 2.62 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 0.00 103 P 0.00 4.24 0.00 2.15 2.19 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 104 Q 8.16 4.01 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 105 G 7.76 3.69 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 0.00 0.00 0.00 106 I 7.79 3.58 1.05 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.16 -0.52 0.00 0.00 107 R 7.35 4.19 0.00 2.09 2.02 0.00 3.20 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 1.89 1.52 0.00 108 A 7.57 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.05 4.76 0.00 3.47 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 0.00 110 V 8.76 3.73 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 1.00 0.00 0.00 111 A 8.33 4.04 1.51 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 0.00 0.00 112 W 8.41 4.01 0.00 3.48 3.48 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 0.00 113 R 8.15 3.71 0.00 2.08 1.99 0.00 3.55 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.13 0.00 114 N 7.93 4.39 0.00 2.55 2.71 0.00 0.00 6.92 7.79 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 0.00 115 R 7.61 4.17 0.00 0.96 1.01 0.00 2.73 0.00 0.00 2.81 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 0.00 116 C 7.72 4.60 0.00 1.82 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 0.00 117 Q 6.62 3.15 0.00 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.90 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 118 N 8.61 4.17 0.00 2.79 2.81 0.00 0.00 6.84 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 0.00 119 R 7.35 4.56 0.00 1.75 1.80 0.00 3.10 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 0.00 120 D 8.34 4.59 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.11 4.39 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.06 0.00 0.00 122 R 8.19 4.02 0.00 1.98 2.00 0.00 3.28 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 123 Q 8.11 3.94 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.17 1.38 0.00 124 Y 7.48 4.46 0.00 3.16 3.14 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 0.00 0.00 0.00 125 V 7.85 4.43 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 0.97 0.00 0.00 1.08 0.00 0.00 126 Q 7.60 4.20 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 127 G 8.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 7.96 4.42 0.00 3.08 3.14 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 0.00 0.00 0.00 129 G 8.19 3.86 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 0.00 0.00 0.00 130 V 7.82 4.02 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 0.74 0.00 0.00 0.95 0.00 0.00