NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3877 8.3044 120.3238 54.8186 32.9374 173.0443 2 H 3.9212 8.0590 125.6839 55.2596 30.3004 172.0516 3 L 4.5814 8.1278 121.8307 53.2656 44.5995 177.1057 4 T 4.2168 8.4127 119.8822 62.0917 70.6157 174.1719 5 P 4.3074 0.0000 0.0000 66.0726 31.5782 178.9094 6 E 3.9497 8.1209 115.3151 59.1475 29.4747 178.9364 7 E 3.9271 7.8828 119.2817 59.1706 29.7927 178.8766 8 K 3.8220 9.0093 119.3817 59.6078 32.1236 179.3255 9 S 4.0836 8.3221 113.2382 61.2517 62.1373 176.0695 10 A 4.0236 7.8079 123.1558 54.9580 18.1133 179.8594 11 V 3.4128 7.6761 116.7107 66.3510 31.7243 178.3800 12 T 3.9294 7.8973 115.1778 66.7588 68.1321 176.5116 13 A 4.0676 7.9073 121.1481 55.0628 18.6945 179.1598 14 L 3.9260 7.8803 119.0094 58.0368 42.2006 179.0195 15 W 4.3325 8.7725 128.5208 60.2891 30.4558 177.9425 16 G 3.8195 8.1519 104.4272 46.5705 0.0000 174.0186 17 K 4.4561 7.6647 118.4702 56.0040 32.8340 176.3295 18 V 3.7135 7.3089 120.2800 61.9549 32.0686 175.8223 19 N 4.4866 8.3137 125.4323 52.5508 38.8836 175.4662 20 V 3.4870 8.0942 128.6242 65.8656 31.5780 177.2865 21 D 4.3285 8.0735 118.1317 57.4128 40.7060 178.5172 22 E 3.8722 8.4622 118.8348 59.4279 29.5561 179.5738 23 V 3.5144 7.8544 118.4795 65.7843 31.5564 178.1015 24 G 3.7438 8.3349 105.7978 47.9763 0.0000 175.8629 25 G 3.5967 7.8116 108.5842 47.2755 0.0000 175.4376 26 E 3.9062 8.4354 121.6356 58.7319 29.6507 178.7262 27 A 3.8982 8.4171 121.2097 55.2112 18.4688 179.4050 28 L 3.9975 8.0591 118.9658 58.0324 42.0223 179.4057 29 G 3.5426 8.0711 105.7185 47.9959 0.0000 175.9483 30 R 3.9069 8.1267 121.1490 58.4920 29.9894 178.8356 31 L 4.0006 7.9191 120.2439 58.4134 41.8121 179.2443 32 L 4.0899 7.7179 119.6438 56.7777 41.2355 179.5379 33 V 3.6573 7.1723 117.3032 65.4674 31.7347 177.9223 34 V 3.6436 8.0825 117.2575 64.1846 32.5329 175.5211 35 Y 3.9482 7.3713 117.3213 54.6752 37.8216 175.5852 36 A 4.2338 8.3668 127.9606 53.9731 18.7425 178.9280 37 W 4.3708 8.1843 114.5364 59.1995 28.3673 177.8612 38 T 4.2461 7.7041 110.5499 63.6317 68.2575 175.9887 39 Q 4.4126 8.1991 121.6967 58.0616 28.5012 177.9623 40 R 3.8548 7.4928 116.5437 58.8441 29.1947 177.8389 41 F 4.3541 7.0545 114.6702 57.3580 39.6008 175.6798 42 F 4.6907 8.0494 118.9266 56.6957 40.1662 177.2493 43 E 4.0058 8.4834 122.7176 59.6295 29.4255 179.1394 44 S 4.5064 7.9995 109.9896 59.2020 63.5031 174.7394 45 F 4.5583 8.2519 120.0729 58.3657 39.7465 175.3624 46 G 4.0343 7.3871 104.8457 44.0717 0.0000 173.3242 47 D 4.5861 8.6734 123.3573 54.2627 41.7121 176.5236 48 L 4.9071 8.2772 125.9660 54.6319 43.4184 177.7251 49 S 4.3401 8.2331 116.4360 60.3980 63.5041 174.5893 50 T 4.7447 7.4288 110.4589 58.3441 73.0388 172.7290 51 P 4.1971 0.0000 0.0000 66.0250 31.5451 178.7080 52 D 4.3780 8.1069 116.8946 57.3229 40.6469 178.6381 53 A 4.0122 7.9828 121.2456 54.9207 18.1435 179.9538 54 V 3.4992 7.7009 115.9530 66.6238 31.8117 177.4691 55 M 4.1384 8.4888 117.2999 57.9666 31.9086 177.8480 56 G 3.7253 7.7466 105.5770 46.2573 0.0000 173.3975 57 N 4.3056 7.8751 120.1863 53.0156 39.3145 173.7249 58 P 4.2479 0.0000 0.0000 65.9679 31.2806 178.6377 59 K 3.7150 8.0921 118.2279 58.6257 31.6721 179.6029 60 V 3.6436 7.7618 118.2951 65.9729 31.6370 177.9659 61 K 3.8708 7.9134 117.9756 59.5409 32.0038 179.2535 62 A 3.9927 7.9263 120.9851 55.3056 18.2044 179.2127 63 H 4.4360 8.5349 117.1747 59.2803 29.8766 177.6309 64 G 3.6123 8.3970 107.9735 47.7591 0.0000 175.5209 65 K 3.9674 8.0448 121.9406 59.0348 32.1927 178.9245 66 K 3.9937 8.0323 119.5356 59.3834 32.1549 178.9450 67 V 3.6057 8.0093 118.7560 66.1562 31.5009 177.8391 68 L 4.3233 8.3958 119.8976 57.5555 41.8890 179.1442 69 G 3.7035 8.2058 106.1012 47.8381 0.0000 175.7060 70 A 4.1644 8.2123 123.5477 54.6484 18.1647 179.4326 71 F 4.1003 8.3903 118.5510 61.5098 39.8174 176.7976 72 S 4.2180 8.7354 113.1332 61.8341 62.3117 175.9518 73 D 4.5085 8.4256 121.4539 57.3678 40.4346 179.0863 74 G 3.4737 7.9969 106.1196 47.4297 0.0000 175.2417 75 L 3.8325 7.3026 119.0436 56.0193 41.6525 177.9398 76 A 4.4849 7.4849 119.4518 52.0508 19.4803 176.5911 77 H 4.8323 8.0632 115.5714 55.1643 29.9982 175.7445 78 L 3.4307 8.1075 121.0413 57.4200 41.5343 178.1817 79 D 4.5262 7.8658 116.5924 55.6789 42.0388 176.3065 80 N 4.9992 8.7304 118.8575 51.3998 39.7314 174.5939 81 L 3.9337 7.8573 123.3670 57.6280 41.9745 179.1092 82 K 4.0378 8.1377 118.1171 59.7071 31.8234 179.4584 83 G 3.6364 7.7527 104.3877 48.0216 0.0000 175.5725 84 T 3.7765 7.5494 117.0751 65.6159 68.6664 175.8266 85 F 4.8567 7.8645 116.9412 57.0735 39.2806 177.3925 86 A 4.0658 7.6149 122.2176 55.6114 18.2251 180.3799 87 T 3.8535 7.8812 107.6544 65.1131 68.7842 176.4908 88 L 4.1147 7.9836 121.5114 57.2274 41.7109 179.2240 89 S 4.3802 8.5680 114.8732 60.9943 62.3259 176.0140 90 E 3.8480 8.2369 121.1831 59.3480 29.2307 179.1984 91 L 3.8537 8.0092 120.2029 58.5634 42.1902 178.7717 92 H 4.1637 8.5921 116.4122 58.8030 28.7488 177.2777 93 C 3.6368 7.7551 120.5435 62.3249 31.1700 175.4125 94 D 4.3765 8.4357 120.2258 56.5996 40.5388 177.5410 95 K 4.2278 7.6881 116.4847 57.7643 33.3280 177.4828 96 L 4.1479 7.7792 116.3979 54.8547 42.5120 176.1759 97 H 4.1444 7.1233 114.0987 56.6285 26.6056 175.3502 98 V 3.9924 7.8280 117.6602 60.8322 32.6751 174.8000 99 D 4.3355 8.7273 127.3373 53.8403 41.5658 175.1514 100 P 3.1729 0.0000 0.0000 64.2411 31.9294 177.9421 101 E 3.8309 8.0598 118.9079 59.1926 29.3406 178.3336 102 N 4.2792 8.0004 116.6214 56.2005 38.5879 177.2575 103 F 4.5327 7.6981 119.4179 60.4079 38.9430 178.0359 104 R 3.9997 7.9178 117.5051 59.1294 30.0099 178.7641 105 L 3.8300 7.7359 118.5537 57.6955 41.5865 179.3931 106 L 4.0928 8.1288 120.4334 57.7972 42.0182 178.9525 107 G 3.7260 7.9767 105.4712 48.2435 0.0000 175.3647 108 N 4.4469 8.1481 119.5139 55.6865 38.4947 177.7578 109 V 3.6139 7.9469 119.7416 65.8346 31.5510 177.6615 110 L 3.8592 8.4325 120.4343 58.3029 41.8806 179.1596 111 V 3.5501 7.9080 117.9576 66.2842 31.4189 177.8139 112 C 4.1633 7.9990 116.4273 62.6618 27.8504 176.3058 113 V 3.5120 7.9300 120.0072 65.8404 31.0426 178.0218 114 L 3.8202 7.8918 118.6933 57.7299 41.4074 179.4192 115 A 3.7165 7.2654 120.5103 55.2547 18.0649 179.1261 116 H 4.0030 8.0512 115.8578 59.6678 29.9688 177.0138 117 H 4.1183 8.2107 117.1478 58.3974 29.0445 177.0546 118 F 4.6621 8.6318 117.9878 54.9413 39.5989 178.8328 119 G 3.9786 8.8939 108.1032 46.1000 0.0000 175.0571 120 K 3.9122 9.5472 120.2361 59.5565 31.9489 177.8134 121 E 4.0920 8.1065 116.0454 58.6794 30.0450 177.4174 122 F 4.4981 8.0225 123.6973 57.1801 38.3160 175.1387 123 T 4.1053 7.2451 114.1366 60.8896 71.1402 173.0394 124 P 4.1543 0.0000 0.0000 65.5337 31.4037 177.1330 125 P 4.2080 0.0000 0.0000 65.5696 31.3271 178.8770 126 V 3.5836 7.3721 116.5917 65.7199 31.3016 177.8695 127 Q 3.6056 7.8256 119.3910 59.0108 28.7673 177.9782 128 A 3.9852 8.0830 121.5674 55.3264 18.3645 179.5227 129 A 3.9289 7.9057 118.6059 55.5655 18.3734 179.5505 130 Y 3.9695 8.1432 115.0343 61.1629 37.9427 178.6534 131 Q 4.1202 8.6502 119.5999 58.8256 28.7809 178.8833 132 K 4.0345 7.8477 119.8896 59.2283 32.0227 179.6229 133 V 3.5184 7.7582 118.6132 66.0611 31.5090 178.3178 134 V 3.8112 8.2587 118.0314 65.9720 31.2749 177.8874 135 A 4.1549 8.2147 120.7860 54.7895 18.1862 179.7446 136 G 3.5730 8.1965 104.3374 48.0442 0.0000 176.0095 137 V 3.4743 8.1789 121.4542 65.3824 31.5489 177.8420 138 A 3.8756 8.0474 120.3928 55.3676 18.0412 179.3414 139 N 4.3061 8.3180 113.7961 56.4588 39.0033 177.2493 140 A 4.1857 8.2151 122.2494 55.1294 17.9759 179.7140 141 L 3.8717 8.1424 117.3591 57.0591 41.5196 178.6313 142 A 4.4891 7.7565 118.9539 53.0699 18.8839 178.4924 143 H 4.2827 8.0145 116.5432 58.6056 29.9438 175.7715 144 K 4.4165 7.9848 117.7570 56.2466 32.0608 176.2447 145 Y 4.0715 8.0243 118.0433 58.2360 38.4107 175.6281 146 H 4.4950 8.2193 117.9303 56.0722 28.4867 173.1616 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 8.30 4.39 0.00 1.98 2.29 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 2 H 8.06 3.92 0.00 3.16 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.13 4.58 0.00 1.67 1.48 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.41 4.22 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 1.23 0.00 0.00 5 P 0.00 4.31 0.00 2.12 2.10 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 6 E 8.12 3.95 0.00 2.14 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 2.33 2.33 0.00 7 E 7.88 3.93 0.00 2.25 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 2.36 2.36 0.00 8 K 9.01 3.82 0.00 1.69 1.80 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.51 7.81 9 S 8.32 4.08 0.00 3.91 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 10 A 7.81 4.02 1.40 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 0.00 0.00 0.00 11 V 7.68 3.41 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 0.55 0.00 0.00 0.49 0.00 0.00 12 T 7.90 3.93 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 1.25 0.00 0.00 13 A 7.91 4.07 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 14 L 7.88 3.93 0.00 1.80 1.96 0.29 0.76 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 15 W 8.77 4.33 0.00 3.86 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 16 G 8.15 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 17 K 7.66 4.46 0.00 2.03 2.03 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.55 7.81 18 V 7.31 3.71 1.12 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 0.08 0.00 0.00 0.69 0.00 0.00 19 N 8.31 4.49 0.00 2.71 2.60 0.00 0.00 6.85 7.71 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 20 V 8.09 3.49 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 1.20 0.00 0.00 0.94 0.00 0.00 21 D 8.07 4.33 0.00 2.94 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 22 E 8.46 3.87 0.00 1.93 1.94 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 2.29 2.39 0.00 23 V 7.85 3.51 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 0.82 0.00 0.00 0.64 0.00 0.00 24 G 8.33 3.74 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 0.00 0.00 0.00 25 G 7.81 3.60 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 0.00 0.00 0.00 26 E 8.44 3.91 0.00 2.11 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 2.22 2.25 0.00 27 A 8.42 3.90 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 28 L 8.06 4.00 0.00 1.72 1.61 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.07 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 30 R 8.13 3.91 0.00 1.88 1.94 0.00 3.08 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 31 L 7.92 4.00 0.00 1.88 1.90 0.98 0.70 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 32 L 7.72 4.09 0.00 1.83 1.71 0.79 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.17 3.66 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 0.73 0.00 0.00 0.91 0.00 0.00 34 V 8.08 3.64 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.79 0.00 0.00 35 Y 7.37 3.95 0.00 2.57 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 4.23 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 37 W 8.18 4.37 0.00 3.53 3.46 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 0.00 38 T 7.70 4.25 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 0.95 0.00 0.00 39 Q 8.20 4.41 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 40 R 7.49 3.85 0.00 1.64 1.96 0.00 2.98 0.00 0.00 2.60 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 41 F 7.05 4.35 0.00 1.90 2.44 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 42 F 8.05 4.69 0.00 2.81 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 0.00 0.00 0.00 0.00 43 E 8.48 4.01 0.00 2.00 2.02 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 2.45 2.21 0.00 44 S 8.00 4.51 0.00 4.10 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 45 F 8.25 4.56 0.00 3.18 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 46 G 7.39 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 47 D 8.67 4.59 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 4.91 0.00 1.65 1.61 1.05 1.02 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 49 S 8.23 4.34 0.00 3.93 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 50 T 7.43 4.74 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 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 52 D 8.11 4.38 0.00 2.67 2.71 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 53 A 7.98 4.01 1.41 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 0.00 0.00 54 V 7.70 3.50 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 0.91 0.00 0.00 0.96 0.00 0.00 55 M 8.49 4.14 0.00 1.96 2.09 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 2.60 2.80 0.00 56 G 7.75 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 57 N 7.88 4.31 0.00 2.92 2.86 0.00 0.00 6.77 9.06 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 58 P 0.00 4.25 0.00 2.23 2.25 0.00 3.71 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 2.00 2.02 0.00 59 K 8.09 3.71 0.00 1.48 0.74 0.00 1.30 0.00 0.00 1.19 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.11 1.20 7.81 60 V 7.76 3.64 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 1.12 0.00 0.00 1.09 0.00 0.00 61 K 7.91 3.87 0.00 1.96 1.81 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.43 7.81 62 A 7.93 3.99 1.31 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 0.00 0.00 0.00 63 H 8.53 4.44 0.00 3.50 3.43 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 64 G 8.40 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.97 0.00 1.87 2.02 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.47 7.81 66 K 8.03 3.99 0.00 2.12 2.05 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.53 7.81 67 V 8.01 3.61 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 0.95 0.00 0.00 0.90 0.00 0.00 68 L 8.40 4.32 0.00 2.01 1.80 0.91 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.21 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 70 A 8.21 4.16 1.56 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 71 F 8.39 4.10 0.00 3.05 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 72 S 8.74 4.22 0.00 4.54 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 0.00 73 D 8.43 4.51 0.00 2.86 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 74 G 8.00 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 75 L 7.30 3.83 0.00 1.46 1.40 -0.41 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.48 4.48 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 77 H 8.06 4.83 0.00 3.10 3.11 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.11 3.43 0.00 1.53 1.64 0.79 0.92 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 79 D 7.87 4.53 0.00 2.62 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 80 N 8.73 5.00 0.00 2.63 2.59 0.00 0.00 7.05 6.54 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 81 L 7.86 3.93 0.00 1.75 1.83 0.93 0.85 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 82 K 8.14 4.04 0.00 1.78 1.81 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.11 1.45 7.81 83 G 7.75 3.64 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 0.00 0.00 0.00 84 T 7.55 3.78 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 0.47 0.00 0.00 85 F 7.86 4.86 0.00 3.15 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 86 A 7.61 4.07 1.41 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 0.00 0.00 87 T 7.88 3.85 4.26 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 1.21 0.00 0.00 88 L 7.98 4.11 0.00 2.06 1.84 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.57 4.38 0.00 4.01 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 90 E 8.24 3.85 0.00 2.20 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 2.32 2.55 0.00 91 L 8.01 3.85 0.00 1.78 1.85 0.90 0.86 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 92 H 8.59 4.16 0.00 3.68 3.75 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.76 3.64 0.00 1.23 2.41 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 94 D 8.44 4.38 0.00 2.72 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 95 K 7.69 4.23 0.00 1.81 1.78 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.47 7.81 96 L 7.78 4.15 0.00 1.70 1.62 0.69 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.12 4.14 0.00 3.46 3.38 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.83 3.99 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 0.13 0.00 0.00 0.52 0.00 0.00 99 D 8.73 4.34 0.00 2.77 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 0.00 100 P 0.00 3.17 0.00 1.94 1.84 0.00 3.37 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.00 101 E 8.06 3.83 0.00 2.05 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 2.30 2.38 0.00 102 N 8.00 4.28 0.00 2.49 2.69 0.00 0.00 6.91 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 0.00 103 F 7.70 4.53 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 0.00 104 R 7.92 4.00 0.00 1.97 1.97 0.00 3.40 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 105 L 7.74 3.83 0.00 1.73 1.37 0.63 -0.23 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 0.00 106 L 8.13 4.09 0.00 1.81 1.70 0.91 0.90 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 0.00 107 G 7.98 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 0.00 108 N 8.15 4.45 0.00 2.82 2.95 0.00 0.00 6.75 7.70 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 0.00 109 V 7.95 3.61 2.24 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 0.99 0.00 0.00 1.14 0.00 0.00 110 L 8.43 3.86 0.00 1.69 1.86 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.91 3.55 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 1.23 0.00 0.00 1.15 0.00 0.00 112 C 8.00 4.16 0.00 3.21 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 0.00 113 V 7.93 3.51 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 1.00 0.00 0.00 0.89 0.00 0.00 114 L 7.89 3.82 0.00 1.06 1.04 0.65 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.27 3.72 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 0.00 116 H 8.05 4.00 0.00 3.17 3.45 0.00 5.77 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 0.00 117 H 8.21 4.12 0.00 3.00 2.55 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.63 4.66 0.00 3.22 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 0.00 119 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 0.00 120 K 9.55 3.91 0.00 1.82 1.96 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.47 7.81 121 E 8.11 4.09 0.00 2.35 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 2.40 2.33 0.00 122 F 8.02 4.50 0.00 3.07 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 0.00 123 T 7.25 4.11 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 1.30 0.00 0.00 124 P 0.00 4.15 0.00 2.15 2.14 0.00 3.58 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 2.11 2.19 0.00 125 P 0.00 4.21 0.00 2.11 2.07 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 126 V 7.37 3.58 1.87 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 0.97 0.00 0.00 0.88 0.00 0.00 127 Q 7.83 3.61 0.00 1.79 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 128 A 8.08 3.99 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 0.00 129 A 7.91 3.93 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 0.00 130 Y 8.14 3.97 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 0.00 131 Q 8.65 4.12 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 132 K 7.85 4.03 0.00 1.91 1.84 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.67 7.81 133 V 7.76 3.52 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 0.93 0.00 0.00 0.76 0.00 0.00 134 V 8.26 3.81 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 1.00 0.00 0.00 1.09 0.00 0.00 135 A 8.21 4.15 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.20 3.57 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 0.00 0.00 0.00 137 V 8.18 3.47 2.17 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 0.80 0.00 0.00 0.83 0.00 0.00 138 A 8.05 3.88 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.32 4.31 0.00 2.88 2.91 0.00 0.00 7.07 6.91 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 0.00 140 A 8.22 4.19 1.47 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 0.00 141 L 8.14 3.87 0.00 1.11 0.78 -0.18 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.76 4.49 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 0.00 143 H 8.01 4.28 0.00 3.37 3.60 0.00 5.75 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 0.00 144 K 7.98 4.42 0.00 1.80 1.80 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.72 7.81 145 Y 8.02 4.07 0.00 3.09 2.94 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 0.00 146 H 8.22 4.50 0.00 3.18 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00