NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9590 8.2133 109.7376 44.8146 0.0000 175.2639 2 S 3.9475 8.1569 115.2843 59.9306 63.5122 174.4094 3 S 4.3916 8.1990 113.3776 57.8504 65.0529 175.0090 4 G 4.1474 8.9679 103.1051 45.9863 0.0000 172.3256 5 S 4.5803 8.1264 113.7687 56.2023 65.4564 173.7215 6 S 4.5120 9.4556 120.9105 57.8113 64.5606 173.6261 7 G 4.9000 8.2996 127.0700 45.3771 0.0000 170.1039 8 P 4.5318 0.0000 0.0000 63.3732 29.5164 176.6025 9 N 4.1748 8.1134 121.1155 55.7735 37.3337 173.8657 10 F 4.7761 8.2291 118.8109 57.1011 41.4072 174.3719 11 S 3.1560 8.3140 124.3201 59.1243 60.9345 172.3313 12 H 4.0966 7.8639 118.9224 56.0039 29.4809 173.9924 13 W 4.5057 8.7950 128.6560 55.2782 28.9696 177.6531 14 G 3.9770 8.4128 115.5075 44.4622 0.0000 170.3574 15 P 4.5016 0.0000 0.0000 61.6769 32.0320 173.9236 16 P 4.9351 0.0000 0.0000 62.9174 32.7465 175.5900 17 R 4.6974 8.8606 116.0710 54.7379 32.7835 173.8593 18 I 4.9252 8.4677 123.7183 59.8798 39.0504 175.3065 19 V 4.4557 8.5304 125.9096 61.3165 34.9955 173.6721 20 E 4.7202 9.0245 127.7726 55.7376 30.5823 175.7151 21 I 4.5875 8.9169 126.3565 59.4531 40.1077 174.8072 22 F 4.6598 9.0660 126.8633 56.0812 39.4356 176.2407 23 R 4.1073 8.7121 120.8194 56.3426 29.9257 175.7038 24 E 4.8410 7.6935 115.9277 53.6114 32.7032 174.1264 25 P 4.2704 0.0000 0.0000 64.2012 30.9577 177.1319 26 N 4.3624 9.0833 115.5358 55.0672 38.9652 175.6094 27 V 4.3906 7.4894 115.7559 59.7377 33.8238 175.7737 28 S 4.7406 8.0661 115.4394 57.2304 64.3960 174.1950 29 L 3.7836 8.4272 118.8111 56.5022 41.5192 178.5847 30 G 3.9244 8.0357 106.0767 45.2465 0.0000 172.3801 31 I 4.8766 7.3630 118.7023 59.4980 40.0273 174.7152 32 S 5.0384 8.7207 120.0481 56.8977 67.6299 172.7395 33 I 5.2972 8.1897 112.8093 59.8242 40.4772 175.1082 34 V 4.1954 8.6976 117.8444 58.8766 34.0674 179.8455 35 G 3.6304 9.7362 111.9402 45.5468 0.0000 177.4147 36 G 4.2007 9.2712 109.3132 45.9249 0.0000 171.9529 37 Q 4.7573 7.9192 121.9837 54.5488 32.3788 175.4999 38 T 4.9195 8.3197 111.0633 60.3893 69.1357 174.0387 39 V 4.4455 7.5747 119.5109 61.8268 34.3808 173.7632 40 I 4.6809 8.0083 126.0533 58.9436 41.3220 174.5502 41 K 3.7682 8.6170 122.5711 57.1749 32.0441 176.2471 42 R 4.0205 8.4473 127.1588 58.6356 30.7220 178.4086 43 L 3.8297 7.7034 118.8793 57.4302 42.1550 178.2478 44 K 3.7825 7.4226 118.1459 56.9344 32.3933 175.4744 45 N 4.9627 8.4613 122.4131 51.7248 40.1893 173.6082 46 G 4.0126 8.1048 113.1869 45.3740 0.0000 172.1899 47 E 4.6004 8.7186 116.4434 55.5238 31.0438 175.5185 48 E 4.2733 8.1657 119.2725 56.3552 30.2485 175.3623 49 L 4.9473 8.1027 119.0634 53.9832 43.0691 176.3368 50 K 4.4664 8.5369 116.7635 56.3053 34.2140 176.2548 51 G 4.3801 8.2578 107.9315 46.7106 0.0000 171.9538 52 I 4.4318 8.0086 119.0591 60.6554 38.5932 175.5486 53 F 5.7964 8.7969 124.0960 54.3739 43.3137 174.3776 54 I 4.1672 8.5555 122.7312 62.2567 37.3748 176.6593 55 K 4.0115 9.4068 130.0993 59.0244 32.6723 176.7990 56 Q 4.6354 7.5442 117.5047 55.2470 32.3992 172.4524 57 V 4.8915 8.2476 123.8305 61.0152 34.5321 175.2931 58 L 4.2761 8.8388 128.1633 54.9295 42.8844 177.2426 59 E 4.2132 8.6932 119.3546 58.1460 30.5061 176.2899 60 D 4.7475 7.8401 116.8298 53.8800 39.8783 175.4903 61 S 4.8411 7.6599 112.7732 56.5435 66.2885 172.7690 62 P 4.2680 0.0000 0.0000 64.8669 29.9346 177.1544 63 A 4.2871 8.2700 122.1790 53.5263 19.4726 179.2138 64 G 4.2147 7.7391 102.5846 46.3377 0.0000 175.5468 65 K 4.2326 7.7737 120.8390 58.9727 32.0776 178.9690 66 T 3.6864 7.3690 107.5793 62.5510 68.6626 174.0989 67 N 4.1616 7.1751 116.7991 54.0301 36.8938 174.3121 68 A 4.6731 7.7537 117.6541 51.7941 19.7518 177.5482 69 L 4.7676 7.4370 115.4612 53.1720 45.6726 175.7467 70 K 4.6158 8.4449 119.6257 54.6905 36.4912 175.5305 71 T 4.0651 8.3106 115.4883 63.7689 67.6546 173.0894 72 G 4.2755 9.3605 117.3237 46.0951 0.0000 173.7928 73 D 4.8098 8.0109 118.9403 54.6605 42.7070 175.9215 74 K 3.8110 8.5333 120.1175 54.3187 34.3674 174.9323 75 I 4.1893 8.5572 130.2054 61.4300 36.8861 176.1516 76 L 4.4122 8.9368 127.6497 55.6396 43.5782 176.0658 77 E 5.5314 7.8853 116.6719 56.2055 33.2812 174.6924 78 V 4.1487 7.4888 123.5886 60.7457 34.5678 174.9660 79 S 3.6166 9.9205 118.5858 58.8655 61.3459 171.8087 80 G 3.8890 8.5257 104.3846 44.6929 0.0000 174.0019 81 V 4.2072 7.3840 118.0987 58.8845 33.6343 174.1056 82 D 4.6369 8.7860 124.3165 54.6009 41.0724 175.3501 83 L 4.5734 8.1821 125.9285 54.2941 42.7650 178.3517 84 Q 3.8230 7.7452 118.1420 59.5612 29.0285 177.8467 85 N 4.5367 7.9562 111.8617 53.2076 38.8514 174.5680 86 A 4.4739 7.6218 122.3704 51.1289 19.8537 179.4173 87 S 4.5771 8.2924 117.1808 58.1499 65.6554 174.5544 88 H 4.2211 8.6553 119.5334 59.8369 29.5425 177.4676 89 S 4.1767 8.0125 116.4165 61.4615 62.6261 176.0988 90 E 3.9488 8.1568 120.8762 59.4058 29.1543 179.3217 91 A 4.1156 7.9672 120.3981 54.6447 18.7069 179.5098 92 V 3.4641 7.5495 116.3325 66.5535 31.5896 178.0262 93 E 3.9412 8.3095 117.7220 59.3658 28.8842 179.4696 94 A 3.9020 7.3737 120.7853 55.3152 18.2648 179.8172 95 I 3.6255 7.4483 117.2602 64.1760 37.2388 178.4544 96 K 4.2318 8.1300 118.7014 58.7527 32.6706 178.0187 97 N 4.9891 8.1177 115.8218 51.6427 39.1149 174.2390 98 A 4.0298 7.2685 124.7111 51.0761 18.4544 177.9560 99 G 3.6886 8.6644 113.1280 45.6284 0.0000 171.4749 100 N 3.7385 8.4510 123.3956 52.3544 39.3347 172.7274 101 P 3.7116 0.0000 0.0000 62.6002 33.0734 176.0977 102 V 4.0853 8.5308 120.7097 61.1980 32.0562 174.8085 103 V 4.4751 8.0471 127.7654 62.6367 33.3474 174.3813 104 F 4.8079 9.4122 124.8476 55.8355 42.6730 174.2144 105 I 5.0299 8.9901 124.9840 58.6291 38.3292 174.7469 106 V 5.4181 7.9388 119.5899 58.4216 36.3232 174.1524 107 Q 4.7593 8.4579 118.9905 54.4082 31.5993 175.3497 108 S 4.6663 8.7023 119.9717 57.1623 62.9771 174.0518 109 L 3.6548 8.1787 127.1014 54.0391 41.9247 176.6872 110 S 4.1491 7.1624 114.8425 58.7353 60.5591 172.8089 111 S 4.5152 7.6147 118.8866 57.0414 65.2889 172.8184 112 T 4.6907 7.9628 110.2104 58.8459 71.4019 173.3412 113 P 4.5385 0.0000 0.0000 62.3940 32.6953 175.0561 114 R 4.6446 8.1898 116.6022 54.9542 33.2264 175.5926 115 V 4.2891 7.9911 121.3590 59.7857 33.4762 175.6315 116 I 4.0779 7.8872 114.1639 59.5093 38.5413 174.1907 117 P 4.3967 0.0000 0.0000 63.2163 31.1965 176.1537 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 G 8.21 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 2 S 8.16 3.95 0.00 3.95 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 3 S 8.20 4.39 0.00 3.74 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 4 G 8.97 4.15 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 0.00 5 S 8.13 4.58 0.00 3.79 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 6 S 9.46 4.51 0.00 3.97 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 7 G 8.30 4.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.53 0.00 2.20 2.12 0.00 3.91 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 9 N 8.11 4.17 0.00 2.92 3.00 0.00 0.00 7.04 7.02 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 10 F 8.23 4.78 0.00 2.91 2.99 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 11 S 8.31 3.16 0.00 3.60 3.88 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 12 H 7.86 4.10 0.00 3.27 3.16 0.00 5.91 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.80 4.51 0.00 3.29 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 14 G 8.41 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 15 P 0.00 4.50 0.00 2.22 2.10 0.00 3.82 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 2.02 1.98 0.00 16 P 0.00 4.94 0.00 2.11 2.11 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 17 R 8.86 4.70 0.00 1.88 2.04 0.00 2.79 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 18 I 8.47 4.93 1.89 0.00 0.00 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 1.24 0.62 0.94 0.00 0.00 19 V 8.53 4.46 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 1.05 0.00 0.00 0.97 0.00 0.00 20 E 9.02 4.72 0.00 1.98 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 2.32 2.38 0.00 21 I 8.92 4.59 2.05 0.00 0.00 0.45 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 1.23 0.96 0.00 0.00 22 F 9.07 4.66 0.00 2.89 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 23 R 8.71 4.11 0.00 1.94 1.96 0.00 2.99 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 24 E 7.69 4.84 0.00 2.09 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 2.30 2.38 0.00 25 P 0.00 4.27 0.00 2.19 1.96 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 26 N 9.08 4.36 0.00 2.74 2.96 0.00 0.00 6.72 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 27 V 7.49 4.39 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 28 S 8.07 4.74 0.00 3.89 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 29 L 8.43 3.78 0.00 1.73 1.74 1.19 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.04 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.36 4.88 1.81 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.75 0.00 0.00 32 S 8.72 5.04 0.00 3.99 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 5.30 2.00 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 1.36 0.60 1.04 0.00 0.00 34 V 8.70 4.20 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 0.77 0.00 0.00 0.95 0.00 0.00 35 G 9.74 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 9.27 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 0.00 0.00 0.00 37 Q 7.92 4.76 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 38 T 8.32 4.92 4.34 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 1.21 0.00 0.00 39 V 7.57 4.45 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 0.97 0.00 0.00 0.93 0.00 0.00 40 I 8.01 4.68 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 0.71 0.91 0.00 0.00 41 K 8.62 3.77 0.00 1.71 1.74 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.40 7.81 42 R 8.45 4.02 0.00 1.92 1.83 0.00 3.32 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 43 L 7.70 3.83 0.00 1.66 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.42 3.78 0.00 1.76 1.85 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.42 7.81 45 N 8.46 4.96 0.00 2.81 2.87 0.00 0.00 5.94 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 46 G 8.10 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 0.00 0.00 0.00 47 E 8.72 4.60 0.00 2.10 2.05 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 2.21 2.36 0.00 48 E 8.17 4.27 0.00 1.98 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 2.34 2.26 0.00 49 L 8.10 4.95 0.00 1.91 1.63 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.54 4.47 0.00 1.85 1.92 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.34 7.81 51 G 8.26 4.38 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 0.00 52 I 8.01 4.43 1.86 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 1.53 0.95 1.00 0.00 0.00 53 F 8.80 5.80 0.00 2.97 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 54 I 8.56 4.17 2.11 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.97 0.00 0.00 55 K 9.41 4.01 0.00 1.87 1.85 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.47 7.81 56 Q 7.54 4.64 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 57 V 8.25 4.89 2.05 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 0.79 0.00 0.00 0.86 0.00 0.00 58 L 8.84 4.28 0.00 1.68 1.60 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.69 4.21 0.00 1.91 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 2.20 2.26 0.00 60 D 7.84 4.75 0.00 2.82 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 61 S 7.66 4.84 0.00 3.97 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 62 P 0.00 4.27 0.00 2.28 2.32 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 63 A 8.27 4.29 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 64 G 7.74 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 0.00 0.00 0.00 65 K 7.77 4.23 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.69 7.81 66 T 7.37 3.69 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 1.25 0.00 0.00 67 N 7.18 4.16 0.00 2.74 2.87 0.00 0.00 6.76 7.22 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 68 A 7.75 4.67 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 69 L 7.44 4.77 0.00 1.43 1.37 0.44 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.44 4.62 0.00 1.78 1.63 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.51 7.81 71 T 8.31 4.07 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 72 G 9.36 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.01 4.81 0.00 2.80 2.72 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 74 K 8.53 3.81 0.00 0.79 1.17 0.00 0.95 0.00 0.00 0.93 0.00 0.00 2.47 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.73 0.21 7.81 75 I 8.56 4.19 1.84 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 1.41 0.68 0.93 0.00 0.00 76 L 8.94 4.41 0.00 1.47 1.60 0.93 0.40 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 77 E 7.89 5.53 0.00 1.92 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 78 V 7.49 4.15 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 0.47 0.00 0.00 -0.63 0.00 0.00 79 S 9.92 3.62 0.00 3.80 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 80 G 8.53 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 81 V 7.38 4.21 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 0.69 0.00 0.00 0.88 0.00 0.00 82 D 8.79 4.64 0.00 2.60 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 83 L 8.18 4.57 0.00 1.59 1.58 0.84 1.07 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 84 Q 7.75 3.82 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 85 N 7.96 4.54 0.00 2.73 2.80 0.00 0.00 6.77 7.61 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 86 A 7.62 4.47 1.24 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 0.00 0.00 87 S 8.29 4.58 0.00 4.21 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 88 H 8.66 4.22 0.00 3.46 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.01 4.18 0.00 3.92 3.88 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 90 E 8.16 3.95 0.00 2.15 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 0.00 2.33 2.53 0.00 91 A 7.97 4.12 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 92 V 7.55 3.46 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 0.96 0.00 0.00 0.87 0.00 0.00 93 E 8.31 3.94 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 94 A 7.37 3.90 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 95 I 7.45 3.63 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.24 1.05 0.00 0.00 96 K 8.13 4.23 0.00 1.92 1.94 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.46 7.81 97 N 8.12 4.99 0.00 2.70 2.81 0.00 0.00 6.96 7.40 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 98 A 7.27 4.03 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 99 G 8.66 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 0.00 100 N 8.45 3.74 0.00 2.52 2.63 0.00 0.00 7.11 7.35 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 0.00 101 P 0.00 3.71 0.00 1.92 1.24 0.00 3.67 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 102 V 8.53 4.09 2.32 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 0.97 0.00 0.00 0.96 0.00 0.00 103 V 8.05 4.48 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 0.96 0.00 0.00 0.91 0.00 0.00 104 F 9.41 4.81 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 0.00 105 I 8.99 5.03 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.85 0.90 0.00 0.00 106 V 7.94 5.42 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 0.92 0.00 0.00 1.06 0.00 0.00 107 Q 8.46 4.76 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 108 S 8.70 4.67 0.00 4.00 3.79 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 0.00 109 L 8.18 3.65 0.00 1.10 1.05 0.14 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.16 4.15 0.00 3.82 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 0.00 111 S 7.61 4.52 0.00 3.72 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 0.00 112 T 7.96 4.69 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 1.19 0.00 0.00 113 P 0.00 4.54 0.00 2.19 2.14 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 114 R 8.19 4.64 0.00 1.70 1.77 0.00 3.26 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 115 V 7.99 4.29 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 0.81 0.00 0.00 0.93 0.00 0.00 116 I 7.89 4.08 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 1.46 0.47 0.90 0.00 0.00 117 P 0.00 4.40 0.00 2.19 2.07 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00