NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2689 8.3044 120.3457 55.0981 33.4620 174.4718 2 K 4.2445 9.0538 128.5354 55.6097 33.0946 173.8486 3 K 5.0542 10.0593 128.7987 55.0379 34.7011 175.6797 4 V 4.9511 8.9166 124.0936 61.2365 35.0694 174.0453 5 I 5.4152 8.4300 124.4464 58.8800 41.9277 173.6609 6 T 4.7682 8.0343 120.1422 60.8204 71.2533 171.7135 7 Y 5.0842 8.3796 123.4486 55.9415 41.8312 174.9175 8 G 3.6256 8.2758 109.3946 46.9706 0.0000 174.3343 9 T 4.0949 8.4074 116.2586 65.1272 69.2503 176.1586 10 F 3.5570 7.1798 116.7024 58.3437 36.3179 174.8815 11 D 4.6603 8.0057 117.8996 54.6327 42.6403 175.0755 12 L 3.6790 8.6259 122.1751 56.7551 39.3160 175.1253 13 L 3.8862 7.5955 117.3434 55.3363 42.7582 175.1189 14 H 5.2551 8.3738 120.9594 52.6348 31.8615 174.0400 15 W 4.5036 9.1370 115.8366 59.5257 27.4663 178.3781 16 G 3.2366 7.6579 106.6469 47.7762 0.0000 175.4102 17 H 4.4489 7.9686 118.0665 58.7615 28.8137 177.6870 18 I 3.7863 7.7732 121.2139 64.5235 37.1217 178.6937 19 K 4.0020 8.1915 118.9966 58.8302 31.8062 179.3316 20 L 3.9748 7.5694 121.1331 58.1157 42.0934 178.9364 21 L 3.9533 8.0817 119.0598 57.3624 41.5936 179.1020 22 E 2.5400 7.8148 119.3828 58.9681 29.3644 179.2639 23 R 4.7857 7.7025 116.9176 58.1090 30.3105 178.8136 24 A 4.0485 7.7490 121.1774 55.1004 18.4580 179.6031 25 K 3.9195 7.9607 118.0983 59.6415 32.1709 178.8460 26 Q 4.1127 7.9822 117.8459 58.4144 28.3328 178.2620 27 L 4.3092 7.7463 118.8993 57.7571 42.2234 176.3353 28 G 4.0913 8.0232 105.6097 45.3171 0.0000 171.6868 29 D 4.8101 8.7375 118.3179 55.3151 42.0086 176.6393 30 Y 4.9278 7.7959 119.2250 56.0146 42.9219 172.8756 31 L 5.0863 8.8127 128.2370 53.3152 45.0736 174.9162 32 V 4.5861 8.9004 127.1025 61.3703 33.7343 174.4651 33 V 4.6289 8.6959 127.4029 60.9605 34.3385 173.8768 34 A 4.9036 8.4393 130.3505 50.3923 20.6556 175.2098 35 I 4.9518 8.4476 123.6339 60.9435 38.9088 176.2320 36 S 4.9025 9.0191 124.4876 59.2346 63.2762 174.7805 37 T 4.1332 8.8379 115.0151 61.2812 69.5699 175.4945 38 D 4.4186 8.7761 121.7230 57.3810 40.5146 179.0226 39 E 3.9845 8.0015 118.1264 59.4659 29.9521 178.6555 40 F 4.3217 8.5988 121.1219 61.0949 39.3730 176.4808 41 N 4.1078 8.5655 117.2646 56.7808 38.6096 176.7694 42 L 4.1910 7.5643 121.2467 57.2145 41.4673 179.1584 43 Q 3.9900 7.7765 118.7303 58.1731 29.1525 176.5075 44 K 4.5097 7.5549 115.4871 55.7822 32.0939 176.0066 45 Q 3.6263 8.0579 116.2181 57.0270 26.4527 173.4846 46 K 4.7093 8.0341 115.1147 54.4883 35.7991 175.7072 47 K 4.5489 8.2793 120.3565 54.8870 34.4699 175.4983 48 A 4.5548 8.0729 129.6174 51.5617 19.4293 176.6984 49 Y 4.1573 9.3645 124.0963 60.2660 39.1400 176.1636 50 H 4.7631 8.4280 116.9387 54.0971 30.1407 175.8768 51 S 4.3989 8.3469 119.0268 57.9444 64.9745 174.6868 52 Y 4.0286 8.7710 123.0968 60.9778 38.4698 177.6958 53 E 3.8001 8.4190 119.5980 60.1445 29.5511 178.7064 54 H 4.3486 7.7916 115.5608 58.7214 28.7470 178.1024 55 R 3.9825 8.1700 120.4000 58.8339 29.7467 178.9512 56 K 3.7210 8.1032 120.1378 58.8879 31.8781 178.5203 57 L 3.8509 7.4432 119.7686 58.2989 42.3366 178.8462 58 I 3.7865 7.4356 119.0145 64.2230 37.0556 177.9841 59 L 3.7886 7.5265 120.6730 58.4635 41.6325 178.8722 60 E 3.8706 8.1313 117.2832 59.3558 29.4126 178.8788 61 T 4.1651 7.5973 107.9622 62.0020 69.6219 175.1141 62 I 3.7635 7.3258 125.1193 60.8777 37.4994 177.0272 63 R 3.7641 8.4484 122.4367 59.4093 29.1080 177.6082 64 Y 4.1347 7.2931 114.5217 59.6678 38.1423 175.6019 65 V 3.9257 7.5557 120.3501 61.8135 31.9512 174.9175 66 D 4.4181 8.0761 127.4967 56.1729 41.7437 176.8149 67 E 4.6712 7.5196 117.1227 54.6854 33.3229 174.0108 68 V 5.0430 8.3242 125.0787 61.0892 34.4426 174.3770 69 I 4.8477 8.5996 119.6356 58.5960 41.5030 172.4563 70 P 5.0710 0.0000 0.0000 62.2705 32.6279 175.5839 71 E 4.3037 9.2686 125.3702 55.0686 30.1033 176.2536 72 K 4.0666 9.4600 128.1441 57.6110 33.2483 176.3003 73 N 4.5329 7.1495 113.0192 50.9561 40.0726 174.3430 74 W 4.4932 8.6298 118.4656 59.6805 29.5520 177.9485 75 E 4.2351 8.3820 116.0198 58.4926 29.6130 178.3638 76 Q 4.1729 8.3168 118.4290 57.8972 28.3642 178.2553 77 K 3.9881 7.4995 122.1544 58.9712 31.7860 178.5781 78 K 4.0204 8.2245 117.9301 60.0697 31.9753 178.9674 79 Q 4.0108 8.0773 118.7582 59.0141 28.9401 177.7608 80 D 4.3978 8.4817 120.3621 57.6074 40.9820 178.7327 81 I 3.7956 8.0623 120.3048 64.3869 36.8857 178.7308 82 I 3.7529 7.5454 120.2257 64.4772 36.8518 178.0928 83 D 4.2745 8.2593 118.6523 57.3720 40.6964 177.1824 84 H 4.6423 8.4908 113.2661 54.6759 29.2562 174.5726 85 N 4.1726 7.6699 116.2496 54.2584 36.4542 174.9113 86 I 4.0324 7.7553 117.4467 61.6193 38.5171 176.3476 87 D 4.8817 9.1490 123.6406 54.6522 43.6986 176.4445 88 V 4.8724 7.6331 117.9882 61.0201 34.9556 173.7058 89 F 5.3932 9.5325 131.0433 56.5328 41.2324 174.7100 90 V 5.2588 7.3818 124.0383 59.4706 34.5341 174.4660 91 M 4.8043 8.2453 120.4525 53.6887 37.0313 174.4137 92 G 4.2631 8.9048 107.9382 45.9769 0.0000 174.3830 93 D 4.8625 9.6538 120.7154 54.3428 39.0527 177.4195 94 D 4.4934 8.0945 118.3462 54.4288 40.1265 176.6344 95 W 4.4877 8.3622 119.7303 56.0882 29.8155 174.9765 96 E 2.5400 7.2734 119.7800 57.4277 29.2706 176.5123 97 G 4.4828 7.8696 114.4394 45.7604 0.0000 175.5310 98 K 3.9716 7.8052 117.8451 58.5082 32.3287 177.7068 99 F 4.5880 8.4728 116.5197 57.1061 39.6728 176.7705 100 D 4.5496 8.1342 123.0891 56.4451 40.5994 178.0597 101 F 4.5088 7.8773 113.0164 58.2372 38.1710 176.2737 102 L 4.2187 7.2340 121.3804 55.3327 41.4772 178.2753 103 K 4.3472 7.8682 120.2543 58.4070 32.0419 177.8320 104 D 4.5832 8.0118 116.9278 54.4890 39.7866 176.2028 105 Q 4.4113 8.0406 121.2451 57.4297 30.8660 174.0634 106 C 4.7065 7.3000 110.2294 56.9628 33.6826 172.2153 107 E 4.3526 8.7426 120.0635 55.9236 30.2345 175.2899 108 V 4.8857 8.3628 126.7496 61.2143 33.6097 174.7759 109 V 4.4742 8.7205 126.8615 61.2599 35.3980 173.3909 110 Y 5.4093 8.5795 122.9282 56.2942 40.7553 174.7724 111 L 4.9336 8.7796 124.1707 51.9533 44.4543 174.2882 112 P 5.0385 0.0000 0.0000 62.4152 31.6196 176.6246 113 R 4.0297 8.5831 122.3243 56.4219 30.6124 176.7632 114 T 4.2082 8.0171 116.7217 62.3060 68.0654 175.0361 115 E 3.9906 8.3931 126.7938 57.5304 30.0644 177.7726 116 G 4.1293 9.9050 110.3092 45.2680 0.0000 173.2442 117 I 4.5193 6.7956 118.2788 58.5979 41.2012 174.1362 118 S 4.4678 7.8934 119.2337 56.7652 66.5219 176.5750 119 T 3.9355 8.3203 119.5726 67.2071 68.1087 177.0783 120 T 3.9184 7.8325 117.2507 66.2335 68.4564 176.5115 121 K 3.8913 7.9978 121.5618 59.6257 32.3073 178.6810 122 I 3.7033 7.6530 120.0156 64.5918 36.8247 178.6069 123 K 3.9867 7.6960 117.3711 59.5305 31.9639 179.0862 124 E 4.1243 8.2764 118.1741 59.3408 29.4395 178.9001 125 E 4.1529 8.3945 118.3381 59.0186 29.6613 177.5177 126 I 4.0031 7.6839 123.5564 61.5848 37.2952 175.7070 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 4.27 0.00 1.93 2.02 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 2.50 2.52 0.00 2 K 9.05 4.24 0.00 1.89 1.84 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.50 7.81 3 K 10.06 5.05 0.00 1.86 1.74 0.00 1.47 0.00 0.00 1.82 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.48 7.81 4 V 8.92 4.95 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 0.90 0.00 0.00 0.96 0.00 0.00 5 I 8.43 5.42 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 2.38 1.10 0.00 0.00 6 T 8.03 4.77 4.11 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 1.18 0.00 0.00 7 Y 8.38 5.08 0.00 2.73 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 8 G 8.28 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 9 T 8.41 4.09 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 1.34 0.00 0.00 10 F 7.18 3.56 0.00 3.15 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 D 8.01 4.66 0.00 2.69 2.63 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 12 L 8.63 3.68 0.00 1.86 1.75 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.60 3.89 0.00 1.69 1.69 1.00 1.03 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 14 H 8.37 5.26 0.00 3.43 3.47 0.00 5.71 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 9.14 4.50 0.00 3.72 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 16 G 7.66 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 0.00 0.00 0.00 17 H 7.97 4.45 0.00 3.42 3.55 0.00 5.65 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 18 I 7.77 3.79 2.18 0.00 0.00 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 1.88 0.99 1.09 0.00 0.00 19 K 8.19 4.00 0.00 1.84 1.88 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.55 1.70 7.81 20 L 7.57 3.97 0.00 1.84 1.98 1.02 0.60 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 21 L 8.08 3.95 0.00 1.81 1.66 0.67 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.81 2.54 0.00 1.16 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 2.06 2.00 0.00 23 R 7.70 4.79 0.00 1.81 1.94 0.00 3.18 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.53 0.00 24 A 7.75 4.05 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 25 K 7.96 3.92 0.00 1.93 1.96 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.59 7.81 26 Q 7.98 4.11 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 27 L 7.75 4.31 0.00 1.89 1.71 0.97 0.82 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 28 G 8.02 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 0.00 0.00 0.00 29 D 8.74 4.81 0.00 2.59 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 30 Y 7.80 4.93 0.00 3.02 2.64 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 31 L 8.81 5.09 0.00 1.71 1.52 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.90 4.59 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 0.68 0.00 0.00 1.05 0.00 0.00 33 V 8.70 4.63 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 0.79 0.00 0.00 0.73 0.00 0.00 34 A 8.44 4.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.45 4.95 2.07 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.55 1.15 0.00 0.00 36 S 9.02 4.90 0.00 3.86 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 0.00 37 T 8.84 4.13 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 38 D 8.78 4.42 0.00 2.73 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 39 E 8.00 3.98 0.00 1.92 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 0.00 2.31 2.42 0.00 40 F 8.60 4.32 0.00 3.10 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 41 N 8.57 4.11 0.00 3.01 2.90 0.00 0.00 7.17 6.39 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 42 L 7.56 4.19 0.00 1.92 1.69 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.78 3.99 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.24 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 44 K 7.55 4.51 0.00 1.80 1.85 0.00 2.14 0.00 0.00 1.63 0.00 0.00 2.55 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.58 0.70 7.81 45 Q 8.06 3.63 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 46 K 8.03 4.71 0.00 1.88 1.68 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.59 7.81 47 K 8.28 4.55 0.00 1.67 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.39 7.81 48 A 8.07 4.55 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 49 Y 9.36 4.16 0.00 2.90 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 50 H 8.43 4.76 0.00 3.40 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.35 4.40 0.00 4.04 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 52 Y 8.77 4.03 0.00 3.13 3.03 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 53 E 8.42 3.80 0.00 2.07 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 2.33 2.42 0.00 54 H 7.79 4.35 0.00 3.15 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.17 3.98 0.00 1.90 1.98 0.00 3.43 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 56 K 8.10 3.72 0.00 0.98 1.53 0.00 1.57 0.00 0.00 1.40 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.25 7.81 57 L 7.44 3.85 0.00 1.84 1.80 0.88 1.10 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 58 I 7.44 3.79 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.90 0.00 0.00 59 L 7.53 3.79 0.00 1.73 1.67 0.66 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.13 3.87 0.00 2.16 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 2.27 2.23 0.00 61 T 7.60 4.17 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 1.26 0.00 0.00 62 I 7.33 3.76 1.86 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 1.46 0.93 1.01 0.00 0.00 63 R 8.45 3.76 0.00 1.64 1.85 0.00 2.59 0.00 0.00 2.92 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.61 0.00 64 Y 7.29 4.13 0.00 2.92 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 65 V 7.56 3.93 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 0.60 0.00 0.00 0.80 0.00 0.00 66 D 8.08 4.42 0.00 1.58 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.52 4.67 0.00 2.03 1.72 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 2.25 2.31 0.00 68 V 8.32 5.04 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 0.89 0.00 0.00 0.80 0.00 0.00 69 I 8.60 4.85 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.87 0.00 0.00 70 P 0.00 5.07 0.00 1.80 1.61 0.00 3.65 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 2.12 0.00 71 E 9.27 4.30 0.00 2.18 1.92 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 1.50 2.33 0.00 72 K 9.46 4.07 0.00 1.68 1.73 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.24 7.81 73 N 7.15 4.53 0.00 2.76 2.70 0.00 0.00 6.05 8.88 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 74 W 8.63 4.49 0.00 3.39 3.33 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 75 E 8.38 4.24 0.00 2.19 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 0.00 2.43 2.53 0.00 76 Q 8.32 4.17 0.00 2.34 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 77 K 7.50 3.99 0.00 1.99 1.81 0.00 1.73 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 1.17 7.81 78 K 8.22 4.02 0.00 1.83 1.92 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.63 7.81 79 Q 8.08 4.01 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.72 0.00 80 D 8.48 4.40 0.00 3.16 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.06 3.80 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.90 0.94 0.00 0.00 82 I 7.55 3.75 2.03 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 1.53 0.91 0.91 0.00 0.00 83 D 8.26 4.27 0.00 2.64 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 84 H 8.49 4.64 0.00 3.23 3.32 0.00 5.80 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.67 4.17 0.00 2.74 2.83 0.00 0.00 6.94 7.30 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 86 I 7.76 4.03 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 1.02 0.00 0.00 87 D 9.15 4.88 0.00 2.71 2.69 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 88 V 7.63 4.87 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 0.97 0.00 0.00 1.00 0.00 0.00 89 F 9.53 5.39 0.00 3.05 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 90 V 7.38 5.26 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 0.54 0.00 0.00 0.88 0.00 0.00 91 M 8.25 4.80 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.73 0.00 92 G 8.90 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 0.00 0.00 0.00 0.00 93 D 9.65 4.86 0.00 2.85 3.03 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 94 D 8.09 4.49 0.00 2.61 2.76 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 95 W 8.36 4.49 0.00 3.93 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 96 E 7.27 2.54 0.00 1.66 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 2.10 1.75 0.00 97 G 7.87 4.48 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 98 K 7.81 3.97 0.00 2.04 1.59 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.38 7.81 99 F 8.47 4.59 0.00 3.29 2.35 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 0.00 100 D 8.13 4.55 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 7.88 4.51 0.00 3.10 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 0.00 102 L 7.23 4.22 0.00 1.29 1.37 -0.25 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.87 4.35 0.00 1.82 1.89 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.41 7.81 104 D 8.01 4.58 0.00 2.84 2.81 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 0.00 105 Q 8.04 4.41 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 106 C 7.30 4.71 0.00 3.20 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 0.00 107 E 8.74 4.35 0.00 2.13 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 2.30 2.26 0.00 108 V 8.36 4.89 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 0.65 0.00 0.00 0.86 0.00 0.00 109 V 8.72 4.47 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 0.92 0.00 0.00 0.90 0.00 0.00 110 Y 8.58 5.41 0.00 2.95 2.89 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 0.00 111 L 8.78 4.93 0.00 1.65 1.59 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 5.04 0.00 2.09 2.10 0.00 3.42 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.88 0.00 113 R 8.58 4.03 0.00 1.85 1.88 0.00 3.29 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 114 T 8.02 4.21 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 0.56 0.00 0.00 115 E 8.39 3.99 0.00 1.97 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 2.25 0.00 116 G 9.91 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 0.00 117 I 6.80 4.52 1.66 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.13 -0.10 0.00 0.00 118 S 7.89 4.47 0.00 3.99 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 0.00 119 T 8.32 3.94 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 1.27 0.00 0.00 120 T 7.83 3.92 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 0.00 121 K 8.00 3.89 0.00 1.83 1.95 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.49 7.81 122 I 7.65 3.70 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.92 0.00 0.00 123 K 7.70 3.99 0.00 1.90 1.86 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.54 7.81 124 E 8.28 4.12 0.00 1.92 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 2.34 2.60 0.00 125 E 8.39 4.15 0.00 1.92 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 2.35 2.60 0.00 126 I 7.68 4.00 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.69 0.86 0.00 0.00