NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4103 8.1627 118.1964 54.4348 32.0275 178.2898 2 I 3.2129 8.4933 117.3669 62.1950 37.7412 174.2410 3 L 4.3605 8.4160 121.6371 55.8188 43.7370 177.1991 4 S 4.8342 8.4241 116.0502 60.4074 62.5311 176.0058 5 N 4.3025 7.8675 119.4516 56.4192 37.4041 177.0215 6 T 4.0658 7.7938 118.3969 66.1763 68.2075 176.7297 7 T 4.5642 8.0795 112.5228 63.7270 68.6451 176.5867 8 A 4.1635 7.7187 123.2170 54.9868 18.4472 178.8133 9 V 3.5967 7.6596 116.6961 65.8097 32.1330 174.8612 10 T 3.9219 7.4505 116.4788 62.6294 67.1893 172.4995 11 P 4.4537 0.0000 0.0000 64.5376 31.3895 178.8625 12 F 3.8959 8.3084 120.2994 60.9882 39.1741 176.8228 13 L 4.2204 8.1966 118.5562 57.6444 41.2548 179.1592 14 T 3.9568 7.4786 115.9663 66.8680 68.3724 176.4471 15 K 3.8940 7.6347 118.9307 59.4850 32.0985 179.5356 16 L 4.0083 7.8117 118.7419 57.4763 41.6180 179.2067 17 W 3.9802 8.9987 129.2283 60.4757 30.6462 177.8742 18 Q 3.7741 8.3611 119.6669 59.0266 28.5119 177.6859 19 E 3.8752 8.3882 120.8331 59.6069 29.6739 178.9722 20 T 3.7992 7.9878 116.0564 66.2454 68.1853 176.9460 21 V 3.2879 6.9511 119.2814 65.5456 31.6832 177.7398 22 Q 3.9433 8.0424 118.2587 59.3110 29.0917 176.8814 23 Q 3.9169 8.3292 119.8907 57.1707 29.2884 176.6764 24 G 3.7671 7.5518 104.0882 44.1723 0.0000 173.3427 25 G 3.9255 7.8932 107.5420 46.6064 0.0000 174.4220 26 N 4.7213 7.7665 113.2066 53.9952 39.2962 177.6356 27 M 4.1561 7.5999 118.3377 58.6544 32.2704 178.1319 28 S 4.1456 8.0393 113.2953 60.2848 63.2659 174.3820 29 G 4.1559 8.0163 106.7881 45.6785 0.0000 174.9623 30 L 4.1699 7.6636 117.0988 56.0022 41.9080 178.2987 31 A 4.1611 7.7716 120.9544 54.0397 18.6128 178.4323 32 R 4.0018 7.5726 115.2810 57.5151 30.3832 176.6106 33 R 3.9064 7.1186 116.4356 56.8675 30.6075 176.0498 34 S 4.2523 8.5886 119.2551 58.3530 63.3206 173.5301 35 P 4.5007 0.0000 0.0000 63.6163 31.0477 176.5637 36 R 3.9121 7.4947 119.9431 56.7213 28.6943 176.8425 37 S 4.3279 8.6823 117.8670 58.3928 64.5636 176.0964 38 G 3.9905 8.8653 122.1608 46.4736 0.0000 173.3121 39 D 4.6786 10.4912 123.0263 53.2009 43.3943 173.9522 40 G 3.4126 6.5756 107.7261 44.4113 0.0000 172.9109 41 K 4.2305 8.4400 127.9557 58.3400 32.7802 179.6793 42 L 4.3899 7.8668 117.7805 58.4070 40.7374 177.9969 43 E 4.0762 8.1787 117.7297 58.6077 29.7200 176.9704 44 A 4.2722 7.5021 119.2045 51.0992 18.3358 174.0376 45 L 3.2683 7.9265 123.9106 55.4066 41.0502 175.3004 46 Y 4.2337 7.4902 121.5810 59.4482 38.7854 178.3196 47 V 3.5671 7.1464 120.1077 65.7910 31.3314 177.2481 48 L 3.9451 7.8074 119.4897 58.6834 41.7638 178.8357 49 M 4.1220 7.7343 117.0685 58.2800 31.3862 178.6011 50 V 3.7752 7.5401 118.2795 66.1328 31.4824 177.8037 51 L 4.3154 7.9337 119.4403 58.3243 41.6084 179.2816 52 G 3.6953 7.9460 104.9921 47.6455 0.0000 175.5329 53 F 4.3683 9.0785 123.4697 61.1826 39.4539 177.0316 54 F 4.0345 9.9038 121.1112 61.2355 39.4628 177.3715 55 G 3.7431 8.1689 105.4861 47.3295 0.0000 175.6326 56 F 3.8256 7.8949 122.4443 61.0363 39.4020 177.4231 57 F 3.9966 8.5343 120.7628 61.2403 38.7209 177.1751 58 T 3.1679 7.6387 115.1264 65.4744 68.2616 175.2751 59 L 4.2531 6.8391 119.5343 55.9783 42.8322 178.3977 60 G 3.3623 7.5905 106.5350 47.3877 0.0000 175.7546 61 I 3.5537 6.9209 115.3212 64.2693 37.5869 178.1773 62 M 4.0658 7.6744 120.1111 57.9921 32.0799 177.9703 63 L 3.9344 8.1042 119.4415 57.3496 41.6414 179.4327 64 S 4.1680 8.1528 113.5282 61.4640 62.2945 175.5734 65 Y 4.1194 8.0130 122.2793 60.6313 38.5471 177.5969 66 I 3.3711 7.8751 120.9347 64.7609 37.1823 178.7415 67 R 3.9557 7.5696 116.9153 58.9467 29.8066 179.1771 68 S 4.0801 8.2499 113.6153 61.0296 62.2270 175.7846 69 K 4.1078 7.8394 120.8573 58.3311 31.9450 178.2396 70 K 4.2669 7.6058 117.2044 57.6368 32.2732 177.3160 71 L 4.7979 7.0728 117.5825 54.1576 42.4838 177.3799 72 E 3.9988 8.1658 120.2057 59.4924 29.4310 177.1065 73 H 4.6327 7.8367 117.0549 54.5060 27.3115 173.8866 74 S 4.6314 8.0281 119.7590 56.5230 62.4249 173.2266 75 N 4.6606 8.0757 121.0854 51.1829 36.4857 174.9987 76 D 4.9569 7.7793 126.1524 52.1273 45.0612 174.6220 77 P 4.1943 0.0000 0.0000 65.0050 30.9829 177.9103 78 F 4.2821 7.4249 117.2323 59.3558 39.3210 176.9870 79 N 4.7388 7.8647 115.1071 53.8850 38.8292 177.3905 80 V 3.6975 7.5922 119.6160 66.1427 31.8402 176.4901 81 Y 3.9432 7.9047 117.3429 58.9134 38.9221 175.0365 82 I 4.6985 7.5290 119.0049 59.2054 40.4100 173.9630 83 E 4.7538 8.3105 122.0800 54.3842 31.8448 177.4662 84 S 3.9539 8.5718 117.2947 61.0006 62.8118 175.0535 85 D 4.5623 8.1044 119.1508 57.0229 41.0524 177.6306 86 A 3.9301 8.2614 121.1545 54.5239 18.6436 175.9788 87 W 3.4210 7.7347 129.7051 57.9520 28.9098 172.5705 88 Q 4.4642 7.9806 121.2000 56.7351 31.1447 177.2698 89 E 4.3176 8.0275 118.9750 55.8885 31.2966 177.1931 90 K 4.4311 8.4781 118.0866 56.0902 32.1373 176.9247 91 D 4.0911 7.7590 117.2897 55.1010 39.1004 176.0033 92 K 3.9819 7.7070 121.7915 59.2589 32.2726 178.0451 93 A 3.8594 7.2665 120.8946 54.8210 18.3309 178.9344 94 Y 3.6586 6.9595 114.6038 60.7564 37.4435 178.1520 95 V 3.6390 8.1466 119.4635 65.8027 31.0577 177.9538 96 Q 4.2960 8.0379 119.3691 59.0561 28.9724 177.9754 97 A 3.8355 7.5042 120.8618 55.0962 17.7875 179.8829 98 R 4.0077 8.5801 117.0442 59.0047 29.8834 178.9606 99 V 3.7699 9.1374 119.7305 65.4679 31.4373 177.8892 100 L 4.0129 7.5173 119.3110 58.0222 42.0196 178.4668 101 E 4.1847 7.9471 117.9792 58.9499 29.8380 178.6490 102 S 4.2146 9.5009 114.8064 61.5162 62.9020 175.8103 103 Y 4.1754 8.9778 123.5178 60.3571 38.5608 177.6321 104 K 3.9139 7.6365 118.3988 58.8840 32.6318 178.1278 105 S 4.4425 7.8952 111.9204 59.8246 62.3386 174.9611 106 C 4.4938 8.5694 118.1153 61.3428 27.9521 173.9035 107 Y 3.8411 7.8591 121.9369 59.5981 38.7128 175.9719 108 V 4.4752 7.2389 109.6209 59.3858 34.2512 175.0201 109 V 4.5809 7.8596 120.5669 60.6591 34.5083 175.5472 110 E 4.1471 8.9756 122.7016 58.5505 29.7066 177.0188 111 N 5.0864 7.9214 116.3511 50.7247 41.1212 173.6441 112 H 4.2447 8.9201 119.6304 55.2316 29.0157 175.3202 113 L 4.1259 8.3808 124.5791 54.2817 42.1970 178.1466 114 A 3.9919 8.5961 125.1519 54.8985 18.6438 178.8400 115 I 3.9608 7.7393 115.0129 62.5968 37.6947 175.3972 116 E 4.6226 7.2641 120.8012 53.6832 31.4296 175.3337 117 Q 4.1900 8.2497 120.6681 55.0716 29.3313 174.2836 118 P 4.3572 0.0000 0.0000 62.7855 32.0917 175.3894 119 N 4.8370 8.2777 118.9708 51.1731 40.7520 174.5013 120 T 3.7172 8.2674 116.2809 62.4821 67.4942 173.3017 121 H 4.6116 8.2265 127.2449 54.8363 29.5814 174.9734 122 L 4.6598 8.2136 124.8191 52.9672 42.3734 174.4282 123 P 4.2999 0.0000 0.0000 62.9038 31.7032 175.3755 124 E 4.5514 8.5852 123.5826 54.6731 31.3315 174.4768 125 T 4.6689 7.9445 117.6744 59.6092 70.2092 173.9151 126 K 4.1701 8.3341 124.9134 55.2179 32.7077 175.4904 127 P 4.3120 0.0000 0.0000 63.0435 31.6224 176.2126 128 S 4.5341 8.4208 119.4955 56.7212 64.0656 172.3811 129 P 4.4104 0.0000 0.0000 63.1405 31.1700 176.1807 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 8.16 4.41 0.00 2.23 1.90 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 2 I 8.49 3.21 1.53 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.49 0.00 0.00 3 L 8.42 4.36 0.00 1.69 1.59 0.87 1.12 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 4 S 8.42 4.83 0.00 4.10 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 5 N 7.87 4.30 0.00 2.80 2.80 0.00 0.00 6.08 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.79 4.07 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 1.21 0.00 0.00 7 T 8.08 4.56 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 A 7.72 4.16 1.58 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 0.00 0.00 9 V 7.66 3.60 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 0.90 0.00 0.00 1.03 0.00 0.00 10 T 7.45 3.92 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 1.31 0.00 0.00 11 P 0.00 4.45 0.00 2.23 2.13 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 12 F 8.31 3.90 0.00 3.08 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 13 L 8.20 4.22 0.00 2.06 1.82 1.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.48 3.96 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 1.24 0.00 0.00 15 K 7.63 3.89 0.00 1.53 1.66 0.00 1.46 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.30 1.18 7.81 16 L 7.81 4.01 0.00 1.84 1.81 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17 W 9.00 3.98 0.00 3.41 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 18 Q 8.36 3.77 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 19 E 8.39 3.88 0.00 2.29 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 0.00 2.27 2.34 0.00 20 T 7.99 3.80 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 1.07 0.00 0.00 21 V 6.95 3.29 1.57 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 0.47 0.00 0.00 -0.21 0.00 0.00 22 Q 8.04 3.94 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 23 Q 8.33 3.92 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 5.27 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 24 G 7.55 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 25 G 7.89 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 26 N 7.77 4.72 0.00 2.73 2.82 0.00 0.00 6.97 7.62 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 27 M 7.60 4.16 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 28 S 8.04 4.15 0.00 3.84 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 29 G 8.02 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.66 4.17 0.00 1.68 1.71 0.92 0.90 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 31 A 7.77 4.16 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 32 R 7.57 4.00 0.00 1.71 2.04 0.00 3.29 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 33 R 7.12 3.91 0.00 2.04 1.84 0.00 3.33 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 34 S 8.59 4.25 0.00 3.91 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 35 P 0.00 4.50 0.00 2.16 2.13 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 36 R 7.49 3.91 0.00 1.78 1.93 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 37 S 8.68 4.33 0.00 3.80 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 38 G 8.87 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 39 D 10.49 4.68 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 40 G 6.58 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 0.00 0.00 0.00 41 K 8.44 4.23 0.00 1.89 1.88 0.00 1.56 0.00 0.00 1.96 0.00 0.00 3.28 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.48 7.81 42 L 7.87 4.39 0.00 1.87 1.89 0.94 0.62 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 43 E 8.18 4.08 0.00 2.00 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 2.32 2.32 0.00 44 A 7.50 4.27 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 45 L 7.93 3.27 0.00 1.78 1.51 0.86 0.55 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 46 Y 7.49 4.23 0.00 3.24 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 47 V 7.15 3.57 1.91 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 1.00 0.00 0.00 0.78 0.00 0.00 48 L 7.81 3.95 0.00 1.74 1.63 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 M 7.73 4.12 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 50 V 7.54 3.78 2.27 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 1.01 0.00 0.00 0.99 0.00 0.00 51 L 7.93 4.32 0.00 1.84 1.87 0.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.95 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 53 F 9.08 4.37 0.00 3.10 3.35 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 54 F 9.90 4.03 0.00 3.40 3.26 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 55 G 8.17 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 56 F 7.89 3.83 0.00 3.16 3.10 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 57 F 8.53 4.00 0.00 1.87 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.64 3.17 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 0.96 0.00 0.00 59 L 6.84 4.25 0.00 1.49 1.25 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.59 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 0.00 0.00 0.00 61 I 6.92 3.55 1.69 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.36 0.34 0.00 0.00 62 M 7.67 4.07 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 63 L 8.10 3.93 0.00 1.58 1.62 0.63 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.15 4.17 0.00 4.08 3.87 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 65 Y 8.01 4.12 0.00 2.98 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 66 I 7.88 3.37 1.79 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 1.44 0.85 0.83 0.00 0.00 67 R 7.57 3.96 0.00 2.07 1.96 0.00 3.26 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 68 S 8.25 4.08 0.00 4.07 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 69 K 7.84 4.11 0.00 1.19 1.53 0.00 1.77 0.00 0.00 1.36 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.29 7.81 70 K 7.61 4.27 0.00 1.84 1.80 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.39 7.81 71 L 7.07 4.80 0.00 1.72 1.61 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.17 4.00 0.00 1.99 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 0.00 2.16 1.89 0.00 73 H 7.84 4.63 0.00 3.16 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.03 4.63 0.00 3.83 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 75 N 8.08 4.66 0.00 2.80 2.84 0.00 0.00 6.17 8.04 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 76 D 7.78 4.96 0.00 2.67 2.57 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 77 P 0.00 4.19 0.00 1.62 1.86 0.00 3.29 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.57 0.00 78 F 7.42 4.28 0.00 2.77 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 0.00 0.00 0.00 79 N 7.86 4.74 0.00 2.65 2.84 0.00 0.00 7.22 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 80 V 7.59 3.70 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 0.89 0.00 0.00 0.93 0.00 0.00 81 Y 7.90 3.94 0.00 3.05 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 82 I 7.53 4.70 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.98 0.00 0.00 83 E 8.31 4.75 0.00 1.97 1.82 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 2.26 2.18 0.00 84 S 8.57 3.95 0.00 3.66 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 85 D 8.10 4.56 0.00 2.75 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 86 A 8.26 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.73 3.42 0.00 3.68 2.92 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 88 Q 7.98 4.46 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 89 E 8.03 4.32 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 90 K 8.48 4.43 0.00 1.78 1.83 0.00 1.97 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.52 7.81 91 D 7.76 4.09 0.00 2.89 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 92 K 7.71 3.98 0.00 1.72 1.67 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 93 A 7.27 3.86 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 94 Y 6.96 3.66 0.00 2.73 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 0.00 0.00 0.00 0.00 95 V 8.15 3.64 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 0.98 0.00 0.00 0.98 0.00 0.00 96 Q 8.04 4.30 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 97 A 7.50 3.84 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.58 4.01 0.00 1.92 1.98 0.00 3.35 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 99 V 9.14 3.77 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.95 0.00 0.00 100 L 7.52 4.01 0.00 1.71 1.68 0.97 0.89 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 0.00 101 E 7.95 4.18 0.00 2.17 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 2.34 0.00 102 S 9.50 4.21 0.00 4.14 4.17 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 0.00 0.00 0.00 0.00 103 Y 8.98 4.18 0.00 2.83 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 0.00 104 K 7.64 3.91 0.00 2.02 1.96 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.41 7.81 105 S 7.90 4.44 0.00 4.15 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 0.00 106 C 8.57 4.49 0.00 3.04 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 0.00 107 Y 7.86 3.84 0.00 2.84 2.92 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 0.00 108 V 7.24 4.48 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 0.94 0.00 0.00 0.98 0.00 0.00 109 V 7.86 4.58 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 0.94 0.00 0.00 0.93 0.00 0.00 110 E 8.98 4.15 0.00 2.15 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 0.00 2.33 2.31 0.00 111 N 7.92 5.09 0.00 2.88 3.03 0.00 0.00 6.94 8.18 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 0.00 112 H 8.92 4.24 0.00 3.16 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.38 4.13 0.00 1.71 1.67 1.16 0.99 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 0.00 114 A 8.60 3.99 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 0.00 115 I 7.74 3.96 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.37 0.88 0.00 0.00 116 E 7.26 4.62 0.00 1.88 1.80 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 2.20 2.19 0.00 117 Q 8.25 4.19 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 118 P 0.00 4.36 0.00 2.13 1.98 0.00 3.70 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 1.95 1.93 0.00 119 N 8.28 4.84 0.00 2.68 2.71 0.00 0.00 7.07 7.47 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 0.00 120 T 8.27 3.72 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 1.21 0.00 0.00 121 H 8.23 4.61 0.00 3.18 3.28 0.00 5.93 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.21 4.66 0.00 1.76 1.67 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.30 0.00 2.21 2.12 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 124 E 8.59 4.55 0.00 1.96 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 2.28 0.00 125 T 7.94 4.67 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 0.00 126 K 8.33 4.17 0.00 1.76 1.72 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.48 7.81 127 P 0.00 4.31 0.00 2.18 2.08 0.00 3.76 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 1.99 2.00 0.00 128 S 8.42 4.53 0.00 3.88 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 0.00 129 P 0.00 4.41 0.00 2.16 2.02 0.00 3.79 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 1.98 1.95 0.00