NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3529 8.3049 118.1943 56.0373 32.7210 174.8142 2 K 4.0799 8.8883 123.2583 56.5949 30.3700 175.3631 3 K 3.7616 8.1254 119.4508 56.7837 32.8000 175.6426 4 L 4.2762 8.2735 126.5451 53.5082 42.6886 176.7282 5 V 3.8146 8.1898 126.3090 62.7128 30.2003 174.4420 6 T 4.0790 8.1542 123.0651 62.4965 68.9286 174.5930 7 A 4.3725 8.4831 129.8266 51.4852 18.9348 176.9353 8 T 4.4245 8.3951 112.7343 62.3738 69.0631 175.1767 9 T 3.9661 7.2866 118.7304 64.1286 68.8333 174.1293 10 L 4.4742 8.0856 125.3877 54.5351 42.6075 175.6530 11 T 4.0371 8.5918 121.2678 62.7283 68.7996 174.0026 12 A 4.5875 8.5472 129.4623 50.1682 20.9347 175.2571 13 G 3.9895 8.5695 111.9120 44.6402 0.0000 172.2187 14 I 4.3063 8.1535 122.1553 58.7551 39.7681 175.8606 15 G 3.9551 8.4505 116.4947 44.3377 0.0000 172.0495 16 A 4.5920 8.1417 120.6109 50.2374 21.4361 176.7897 17 A 4.3680 8.4416 126.8214 50.8961 17.4348 176.2711 18 I 4.2507 7.6662 113.9435 59.6770 39.4530 176.4423 19 V 4.4314 8.1761 121.3100 60.9457 34.2027 174.7556 20 G 4.1320 8.4798 114.3105 43.7206 0.0000 173.2451 21 L 4.4212 8.2510 123.3484 53.6011 43.1946 175.2655 22 D 4.7567 8.1761 119.5899 53.0201 42.4090 175.5811 23 H 4.5631 8.5284 124.4436 55.9526 32.5906 172.7852 24 G 4.0670 7.9725 117.1168 45.8708 0.0000 174.1445 25 N 4.5893 8.6953 122.8038 52.2349 39.6559 173.9041 26 E 4.3525 8.3676 121.1964 55.1244 31.6706 174.5718 27 A 4.7498 8.1353 120.9874 50.5027 21.6368 175.1801 28 D 4.8471 8.3462 118.6293 52.6162 42.7127 176.6509 29 A 4.4010 8.3605 125.5995 51.1578 20.2810 176.7063 30 A 4.7893 8.0700 123.4153 50.6454 21.7106 175.8977 31 E 4.6597 7.9937 114.3979 55.3394 32.2546 174.4975 32 Q 4.3917 8.0619 118.4098 55.6643 30.4668 173.9856 33 T 4.1163 8.4885 110.8530 61.1279 68.1573 174.7123 34 Q 4.1853 8.0725 128.8934 54.2838 29.7981 172.5973 35 P 4.4654 0.0000 0.0000 62.6155 29.6529 175.1850 36 T 4.4486 7.9821 112.4718 60.2682 70.2217 175.4054 37 N 4.5424 8.6787 122.2050 54.5368 39.3540 175.3693 38 Q 4.3131 7.6823 116.2367 54.2687 30.2631 175.5835 39 S 4.2605 8.3044 114.4843 57.8099 61.3936 173.3310 40 T 4.3695 8.1858 118.8289 60.7390 69.2441 175.0505 41 T 3.8369 8.9231 124.9033 62.8848 68.8687 173.3997 42 Q 3.9834 8.6783 127.3375 56.8741 28.4061 175.5205 43 S 4.9958 7.8422 119.9622 56.5226 67.0347 174.3183 44 T 4.2716 8.3445 113.9355 61.3404 70.3791 174.6459 45 S 4.2562 8.3938 115.3400 56.0983 63.9155 174.8502 46 G 3.8230 8.8425 121.9825 44.5090 0.0000 171.9358 47 S 4.7095 7.6062 112.7848 57.8972 63.4920 173.9325 48 S 4.8216 9.2860 122.7071 56.6641 67.6975 173.8969 49 A 4.4096 8.6522 123.4942 51.7964 19.2370 176.9264 50 N 4.0944 8.8732 117.4610 54.5708 38.5272 174.3930 51 L 4.4487 7.7732 124.5708 54.5609 42.1578 176.1257 52 Y 4.2522 7.7903 120.2817 55.9320 39.9814 175.0347 53 T 3.7651 7.7881 117.9996 61.5951 68.0387 173.5025 54 A 2.5800 7.9763 131.4778 52.7372 18.0259 176.3624 55 G 3.6192 7.6338 119.9362 46.5813 0.0000 172.9605 56 Q 4.3092 7.1824 120.1725 55.0070 29.6201 176.7474 57 C 3.9172 8.6038 116.5741 61.7223 29.5053 176.3524 58 T 3.0580 7.3881 111.4537 63.7447 68.0156 175.9607 59 W 4.0784 7.8977 131.9606 60.6819 30.7695 177.5388 60 Y 3.6077 7.7400 117.1148 59.7370 37.4300 178.2065 61 V 3.6589 6.7341 119.9032 66.0935 31.6684 177.2785 62 Y 3.8075 8.0688 119.2593 60.6347 38.5411 177.7484 63 D 4.2168 7.6535 118.9573 57.1485 41.1490 178.3306 64 K 3.7408 8.0718 118.5501 58.9229 32.0769 178.6438 65 V 3.7681 7.5886 117.6803 61.0361 31.2469 177.2687 66 G 3.6826 7.9616 106.4514 46.0723 0.0000 174.6187 67 G 3.7658 7.6652 105.5957 45.9483 0.0000 175.0188 68 N 4.5961 7.5750 114.7395 52.9331 38.3392 174.9072 69 I 4.1650 6.5219 111.4017 58.2219 39.7819 175.2795 70 G 3.4810 6.9231 111.0132 45.0444 0.0000 175.1434 71 S 3.8206 8.6620 120.8416 61.4694 63.0658 175.8407 72 T 4.3295 7.1833 111.9759 62.7340 66.9007 175.0552 73 W 4.5132 7.9401 121.4040 60.1817 30.2093 176.2328 74 G 4.3586 8.3506 101.6854 44.3917 0.0000 175.1473 75 N 4.8102 9.0785 122.5436 51.3913 38.8526 175.8104 76 A 3.1840 8.1949 120.4597 54.9982 17.9509 179.5045 77 N 4.3260 8.1570 115.1439 56.4421 39.2949 175.8381 78 N 4.6530 8.6980 117.4786 54.4930 39.3707 176.7520 79 W 4.4248 7.9443 119.8968 60.1842 29.2001 178.1122 80 A 3.8963 8.0599 119.7559 55.0073 17.7613 179.5332 81 S 3.8764 7.8839 110.9392 61.4800 62.5736 176.0357 82 A 3.7376 8.1470 123.6748 54.7602 17.9380 179.2034 83 A 2.8649 7.0090 119.5012 55.1754 18.2409 179.9651 84 S 4.0389 7.6518 113.3188 61.9619 62.7341 177.1102 85 S 4.1391 8.0939 114.1459 60.5971 62.1789 175.1227 86 A 4.5157 8.1176 122.1470 52.0344 19.4849 177.2301 87 G 3.8575 8.2934 105.7459 46.2975 0.0000 172.4640 88 Y 4.7012 8.1233 117.1449 56.3836 41.5188 175.9023 89 T 4.4869 8.1568 115.4556 62.4431 70.3656 174.4527 90 V 4.9634 8.4603 127.2966 61.2733 33.3540 174.3199 91 N 5.1744 9.3097 124.7520 51.3909 43.3115 174.9936 92 N 4.9842 8.8669 117.3961 53.7218 38.5582 175.4105 93 S 4.0823 7.9539 114.7227 57.0571 63.1904 172.2339 94 P 3.0427 0.0000 0.0000 62.0141 30.4327 175.0751 95 E 4.5447 7.6244 122.7510 53.8753 32.9109 174.8241 96 A 4.0373 8.3624 126.3915 53.1486 19.1683 177.1364 97 G 4.0549 8.4346 106.5225 47.1583 0.0000 173.5898 98 S 5.0715 7.3000 112.9511 56.5032 68.1890 172.9832 99 I 4.8693 8.4601 122.6268 59.6229 39.5643 174.6887 100 L 4.4321 8.1570 127.8123 54.3474 42.3333 175.1332 101 Q 4.4946 8.7594 125.2267 55.0110 30.1842 175.6649 102 S 4.4731 8.8348 121.7637 59.3147 62.7211 175.4398 103 T 3.6699 8.2813 113.9486 62.6146 68.5683 172.1127 104 A 3.9734 7.6333 122.4743 52.5738 18.8543 177.3947 105 G 3.8944 8.2682 108.0422 44.0755 0.0000 173.8648 106 G 3.8872 7.4785 109.2557 45.4583 0.0000 173.6965 107 Y 4.2659 8.3787 116.1403 57.0235 39.1674 176.6849 108 G 4.4084 8.3039 104.7930 43.8106 0.0000 172.2758 109 H 4.9830 8.1534 118.1798 54.4022 33.6508 172.3658 110 V 4.9543 7.7565 114.4890 59.8199 35.8952 173.5207 111 A 4.6994 8.0650 121.8837 51.3255 23.1086 174.2332 112 Y 4.7249 8.4169 120.7243 56.2153 40.8022 174.9197 113 V 3.9692 8.2450 127.7033 62.8864 31.7391 176.3558 114 E 4.1199 9.1977 129.3901 59.2778 29.8763 177.1940 115 N 4.7498 7.7538 114.8489 52.7053 42.4981 173.2414 116 V 4.7038 8.2796 123.5221 61.0389 34.1081 175.0947 117 N 4.7320 8.6734 124.4582 52.3093 39.5261 176.1830 118 S 4.0394 8.6298 115.2787 61.4550 62.6500 175.0303 119 D 4.3763 8.1412 118.8156 56.4743 40.7054 176.7121 120 G 4.1000 8.4444 107.1131 45.1967 0.0000 173.6484 121 S 4.5694 7.9799 115.0988 58.7235 64.0770 173.5357 122 V 4.4926 8.9157 125.4098 61.2969 33.2518 174.5378 123 E 4.8263 9.2260 129.3564 55.6491 30.2687 175.4585 124 V 4.7469 8.7686 119.6577 59.4395 33.9126 175.3871 125 S 5.0030 9.4054 122.1973 57.8397 63.5281 172.6142 126 E 4.6902 9.1295 125.0824 54.5418 32.9651 174.6217 127 M 4.3214 6.2327 122.6492 55.0658 32.7553 175.7013 128 N 4.4305 8.7999 124.5662 54.1513 39.4933 175.4337 129 Y 3.9086 8.2187 123.4146 58.2726 38.1366 167.3962 130 N 4.4087 8.2184 122.7559 55.6969 38.1194 172.3628 131 G 3.6036 7.7746 119.8864 45.5150 0.0000 171.2313 132 G 3.9263 7.5095 108.4265 43.8813 0.0000 172.5334 133 P 4.2263 0.0000 0.0000 64.8020 31.3096 177.1644 134 F 4.9090 7.8804 116.2940 57.1598 39.8651 176.7548 135 S 4.4445 7.9270 118.9023 58.6915 60.0753 173.2726 136 V 4.7904 7.6826 123.0019 61.1886 34.3735 174.5079 137 S 4.6200 8.7272 120.0136 57.1528 67.6062 173.6103 138 E 4.6715 8.8728 124.1643 55.2700 29.1109 175.3914 139 R 3.9538 9.1570 125.9956 56.5482 31.1631 175.8073 140 T 4.7269 8.5315 124.9428 62.9157 68.3609 174.4085 141 I 4.3500 8.7665 128.3819 60.0576 39.2028 176.3478 142 S 4.4842 8.6815 121.2034 58.1956 63.7860 174.9942 143 A 4.2960 8.4560 127.4010 54.7206 17.7644 180.4022 144 G 3.5972 8.0295 101.8667 48.1496 0.0000 174.9931 145 E 3.9792 8.1526 121.5234 58.5083 29.7602 178.5000 146 A 4.3423 8.6088 121.2803 55.5178 18.4099 179.7562 147 S 4.4098 8.2233 111.8704 60.9646 62.9410 176.0954 148 S 4.1576 7.4269 114.4818 58.9767 62.3784 172.8203 149 Y 4.9440 7.0045 118.0899 56.9150 40.5130 175.1221 150 N 4.7632 8.4453 119.6271 52.9511 40.0324 173.9502 151 Y 4.9239 8.9482 123.0082 56.9194 39.9071 175.0563 152 I 4.6992 9.1464 126.8048 60.8807 36.9581 174.5344 153 H 5.0934 9.4959 125.5315 53.7173 30.8671 174.9965 154 L 4.6886 8.0529 121.0242 53.5993 41.1416 176.7130 155 N 4.5298 8.3655 120.5296 53.1138 38.8672 175.2954 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 4.35 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 K 8.89 4.08 0.00 2.01 2.04 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.58 7.81 3 K 8.13 3.76 0.00 1.72 1.81 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 4 L 8.27 4.28 0.00 1.60 1.57 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.19 3.81 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 0.81 0.00 0.00 0.93 0.00 0.00 6 T 8.15 4.08 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 7 A 8.48 4.37 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 T 8.40 4.42 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 9 T 7.29 3.97 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 10 L 8.09 4.47 0.00 1.69 1.61 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.59 4.04 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 12 A 8.55 4.59 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 13 G 8.57 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 14 I 8.15 4.31 1.87 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 1.35 0.84 0.91 0.00 0.00 15 G 8.45 3.96 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 0.00 0.00 0.00 16 A 8.14 4.59 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 17 A 8.44 4.37 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 18 I 7.67 4.25 1.87 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 1.30 0.94 0.91 0.00 0.00 19 V 8.18 4.43 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 0.84 0.00 0.00 0.93 0.00 0.00 20 G 8.48 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 21 L 8.25 4.42 0.00 1.65 1.62 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.18 4.76 0.00 2.61 2.56 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 23 H 8.53 4.56 0.00 3.10 3.14 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.97 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 25 N 8.70 4.59 0.00 2.67 2.69 0.00 0.00 6.78 7.64 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 26 E 8.37 4.35 0.00 2.10 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 2.22 2.24 0.00 27 A 8.14 4.75 1.25 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 28 D 8.35 4.85 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.40 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 30 A 8.07 4.79 1.23 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 0.00 0.00 31 E 7.99 4.66 0.00 2.02 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 2.17 2.29 0.00 32 Q 8.06 4.39 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.12 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 33 T 8.49 4.12 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 34 Q 8.07 4.19 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.33 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 35 P 0.00 4.47 0.00 2.08 2.02 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 36 T 7.98 4.45 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 1.27 0.00 0.00 37 N 8.68 4.54 0.00 2.71 2.91 0.00 0.00 7.05 7.69 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 38 Q 7.68 4.31 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.19 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 39 S 8.30 4.26 0.00 3.82 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 40 T 8.19 4.37 4.22 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 1.26 0.00 0.00 41 T 8.92 3.84 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 1.20 0.00 0.00 42 Q 8.68 3.98 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 43 S 7.84 5.00 0.00 3.65 3.41 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 44 T 8.34 4.27 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 1.24 0.00 0.00 45 S 8.39 4.26 0.00 3.80 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 46 G 8.84 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 47 S 7.61 4.71 0.00 3.86 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 48 S 9.29 4.82 0.00 3.80 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 49 A 8.65 4.41 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 N 8.87 4.09 0.00 2.71 2.83 0.00 0.00 6.36 6.83 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 51 L 7.77 4.45 0.00 1.49 1.58 0.90 0.86 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 52 Y 7.79 4.25 0.00 2.73 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 53 T 7.79 3.77 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 1.13 0.00 0.00 54 A 7.98 2.58 0.35 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 55 G 7.63 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 56 Q 7.18 4.31 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 57 C 8.60 3.92 0.00 3.16 3.27 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 58 T 7.39 3.06 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 0.35 0.00 0.00 59 W 7.90 4.08 0.00 3.56 3.43 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 60 Y 7.74 3.61 0.00 3.18 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 61 V 6.73 3.66 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 1.19 0.00 0.00 0.72 0.00 0.00 62 Y 8.07 3.81 0.00 3.20 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 63 D 7.65 4.22 0.00 2.35 2.47 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 64 K 8.07 3.74 0.00 1.65 1.22 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.68 7.81 65 V 7.59 3.77 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 0.68 0.00 0.00 1.05 0.00 0.00 66 G 7.96 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 0.00 0.00 0.00 67 G 7.67 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 0.00 0.00 0.00 68 N 7.57 4.60 0.00 2.64 2.83 0.00 0.00 6.93 7.29 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 69 I 6.52 4.17 0.56 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.36 0.68 0.00 0.00 70 G 6.92 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 0.00 0.00 0.00 71 S 8.66 3.82 0.00 3.86 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 72 T 7.18 4.33 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 1.33 0.00 0.00 73 W 7.94 4.51 0.00 2.94 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 74 G 8.35 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 75 N 9.08 4.81 0.00 3.21 3.11 0.00 0.00 6.11 7.34 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 76 A 8.19 3.18 0.93 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 77 N 8.16 4.33 0.00 2.87 3.07 0.00 0.00 7.26 7.07 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 78 N 8.70 4.65 0.00 3.05 2.96 0.00 0.00 7.48 7.27 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 79 W 7.94 4.42 0.00 3.68 3.36 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 80 A 8.06 3.90 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 81 S 7.88 3.88 0.00 3.87 4.18 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 82 A 8.15 3.74 0.96 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 0.00 0.00 83 A 7.01 2.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.65 4.04 0.00 3.98 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 85 S 8.09 4.14 0.00 3.80 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 86 A 8.12 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.29 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 88 Y 8.12 4.70 0.00 2.77 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 89 T 8.16 4.49 4.54 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 1.24 0.00 0.00 90 V 8.46 4.96 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 0.97 0.00 0.00 91 N 9.31 5.17 0.00 2.65 2.65 0.00 0.00 6.64 6.67 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 92 N 8.87 4.98 0.00 2.77 3.13 0.00 0.00 7.30 7.83 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 93 S 7.95 4.08 0.00 3.90 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 94 P 0.00 3.04 0.00 2.02 1.90 0.00 3.59 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 1.86 1.86 0.00 95 E 7.62 4.54 0.00 1.85 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 2.18 2.27 0.00 96 A 8.36 4.04 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 97 G 8.43 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 98 S 7.30 5.07 0.00 3.86 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 99 I 8.46 4.87 2.16 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.83 1.23 0.00 0.00 100 L 8.16 4.43 0.00 0.77 0.98 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.76 4.49 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 102 S 8.83 4.47 0.00 3.65 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 0.00 103 T 8.28 3.67 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 1.28 0.00 0.00 104 A 7.63 3.97 1.30 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 0.00 0.00 105 G 8.27 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 0.00 0.00 0.00 106 G 7.48 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 0.00 0.00 0.00 107 Y 8.38 4.27 0.00 3.01 2.97 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 0.00 108 G 8.30 4.41 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 0.00 109 H 8.15 4.98 0.00 3.15 3.03 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.76 4.95 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 0.82 0.00 0.00 -0.06 0.00 0.00 111 A 8.07 4.70 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 0.00 112 Y 8.42 4.72 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 0.00 113 V 8.25 3.97 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 0.85 0.00 0.00 1.16 0.00 0.00 114 E 9.20 4.12 0.00 2.03 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 2.47 2.48 0.00 115 N 7.75 4.75 0.00 2.81 2.60 0.00 0.00 6.84 7.72 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 0.00 116 V 8.28 4.70 2.04 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 0.92 0.00 0.00 0.92 0.00 0.00 117 N 8.67 4.73 0.00 2.81 2.71 0.00 0.00 6.49 7.31 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 0.00 118 S 8.63 4.04 0.00 3.82 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 0.00 119 D 8.14 4.38 0.00 2.66 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 0.00 120 G 8.44 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 0.00 0.00 0.00 121 S 7.98 4.57 0.00 4.04 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 0.00 122 V 8.92 4.49 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 1.16 0.00 0.00 1.05 0.00 0.00 123 E 9.23 4.83 0.00 2.08 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 0.00 2.31 2.31 0.00 124 V 8.77 4.75 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 0.70 0.00 0.00 1.00 0.00 0.00 125 S 9.41 5.00 0.00 3.96 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 0.00 126 E 9.13 4.69 0.00 2.09 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 2.21 2.21 0.00 127 M 6.23 4.32 0.00 1.19 1.63 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 128 N 8.80 4.43 0.00 2.75 2.87 0.00 0.00 7.12 7.06 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 0.00 129 Y 8.22 3.91 0.00 3.22 3.08 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 0.00 130 N 8.22 4.41 0.00 2.77 2.81 0.00 0.00 6.94 7.97 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 0.00 131 G 7.77 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 0.00 132 G 7.51 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 0.00 133 P 0.00 4.23 0.00 1.94 2.15 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 134 F 7.88 4.91 0.00 3.04 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 0.00 135 S 7.93 4.44 0.00 4.04 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 0.00 136 V 7.68 4.79 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 1.02 0.00 0.00 137 S 8.73 4.62 0.00 3.75 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 0.00 138 E 8.87 4.67 0.00 1.86 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 2.33 2.41 0.00 139 R 9.16 3.95 0.00 1.89 2.05 0.00 3.11 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 140 T 8.53 4.73 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 1.24 0.00 0.00 141 I 8.77 4.35 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 1.16 0.00 0.00 142 S 8.68 4.48 0.00 3.92 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 0.00 143 A 8.46 4.30 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 0.00 144 G 8.03 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 0.00 145 E 8.15 3.98 0.00 2.06 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 0.00 2.50 2.36 0.00 146 A 8.61 4.34 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 0.00 0.00 0.00 0.00 0.00 147 S 8.22 4.41 0.00 3.85 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 0.00 148 S 7.43 4.16 0.00 3.59 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 0.00 149 Y 7.00 4.94 0.00 2.68 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 0.00 150 N 8.45 4.76 0.00 2.74 2.80 0.00 0.00 7.60 7.39 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 0.00 151 Y 8.95 4.92 0.00 3.29 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 0.00 152 I 9.15 4.70 2.07 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 1.21 0.67 1.16 0.00 0.00 153 H 9.50 5.09 0.00 3.07 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.05 4.69 0.00 1.68 1.70 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.37 4.53 0.00 2.82 2.80 0.00 0.00 7.14 7.59 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