NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1885 8.1727 122.0577 56.3284 34.1361 174.0986 2 V 4.4920 8.2131 127.1833 61.0795 32.0282 173.6624 3 Y 4.2459 9.2138 127.0699 57.7994 39.1387 175.1069 4 D 4.4171 8.8349 122.2306 53.9038 42.5460 177.1224 5 R 3.1929 8.5247 124.4642 59.9161 30.0108 179.7377 6 C 4.3256 8.1018 115.5228 59.6129 39.4238 175.4425 7 E 3.8859 8.5972 121.2840 59.1956 29.1485 178.7317 8 L 3.7800 8.1983 120.2089 58.0143 42.1255 178.6009 9 A 4.0244 8.0656 120.7623 55.3556 18.2384 179.8514 10 R 3.8414 8.3693 116.5214 59.3796 30.0973 179.1761 11 A 3.9817 8.0405 120.5409 55.0926 18.3639 179.7354 12 L 3.8109 8.2540 117.9205 57.7053 41.8382 179.5846 13 K 3.8798 8.2476 119.4557 59.5479 31.9307 178.6487 14 A 4.0642 8.0119 119.9170 54.8229 18.2813 178.7380 15 S 4.5399 7.4858 111.0019 58.0211 63.0107 174.8797 16 G 3.9113 7.7100 108.8635 46.5769 0.0000 175.2702 17 M 3.7657 7.7369 121.1868 56.8795 32.0759 175.7097 18 D 4.4741 7.8963 117.7063 56.8641 40.5218 175.6362 19 G 3.9982 9.3753 115.8565 44.9609 0.0000 171.0783 20 Y 3.9645 8.2266 121.9749 58.6175 38.9063 175.8846 21 A 3.2499 8.8369 129.6614 53.1868 16.2879 177.2848 22 G 3.7734 8.3442 104.6855 47.6014 0.0000 174.1656 23 N 4.6797 7.9721 118.3642 50.7920 39.1675 175.1023 24 S 4.8230 8.3476 118.3483 57.6410 64.3181 174.8501 25 L 4.1643 9.3906 124.1595 58.5591 41.6468 177.7531 26 P 4.4204 0.0000 0.0000 65.7027 31.1783 178.2453 27 N 4.3395 8.1507 115.3185 56.2589 38.5516 177.4763 28 W 4.1411 7.8404 119.7400 59.5831 29.1452 178.7405 29 V 3.7725 8.0245 118.3846 66.0451 31.1496 177.1904 30 C 3.3528 8.1228 118.5588 59.3755 42.4687 175.6045 31 L 4.0686 7.9872 121.3482 58.9203 39.9796 179.3976 32 S 4.2907 8.1439 115.8205 61.1752 62.8051 176.3670 33 K 2.6626 8.0379 122.2821 59.2164 31.6520 178.8739 34 W 4.1430 7.6674 117.0681 59.3142 29.0518 178.4258 35 E 4.3582 8.5624 118.7690 58.7032 29.3089 177.8364 36 S 4.5702 7.8300 109.5368 56.7552 64.3237 174.1269 37 S 3.2222 8.3907 115.7623 60.0858 60.6197 171.9517 38 Y 3.6815 7.5420 113.2013 58.8855 35.3792 168.5627 39 N 5.1982 7.8125 119.6231 52.0731 39.5159 176.0091 40 T 4.0588 8.9262 117.4246 64.1172 69.0124 175.5968 41 Q 4.3787 8.1964 119.4899 55.4961 29.3269 175.5496 42 A 4.3312 7.7626 121.7679 52.4825 19.4252 177.0771 43 T 5.3818 8.2235 110.5499 59.1158 72.4680 173.0478 44 N 4.8191 8.2045 121.7898 52.2383 42.2328 172.9302 45 R 4.6138 8.6768 127.0359 56.0223 31.4189 175.2071 46 N 5.0652 9.4319 124.0819 51.5156 41.0450 176.1975 47 T 3.8677 8.6375 110.8512 64.8229 68.7523 174.8176 48 D 4.4932 7.9988 118.7149 53.5161 39.8176 176.9488 49 G 3.9544 8.2118 109.5648 45.1093 0.0000 173.9779 50 S 4.7052 8.5336 115.1369 58.0416 65.3871 173.3324 51 T 5.0329 8.9107 116.2316 61.9833 72.8259 172.7116 52 D 5.4728 9.0659 124.9720 53.1518 43.3047 175.0501 53 Y 4.9465 9.0310 120.6487 57.5151 41.5344 177.1068 54 G 4.1497 8.9888 111.9497 45.4929 0.0000 173.3180 55 I 3.6333 8.0593 116.7553 63.0338 37.8475 177.2695 56 F 4.8499 7.8327 115.5235 56.7217 39.8376 175.1871 57 Q 3.5677 7.9151 119.4661 57.0572 26.6989 174.3754 58 I 4.1631 8.0673 118.7637 61.2847 39.0752 176.7356 59 N 5.4512 9.1241 126.0620 53.2088 39.9256 175.5485 60 S 4.5984 9.1485 120.4650 60.2784 63.4246 175.3578 61 R 3.7693 8.8891 122.6347 58.8500 30.3525 177.6485 62 Y 4.1258 7.8713 114.9507 57.8318 40.3018 176.9128 63 W 4.9306 8.1005 118.7931 57.5116 31.2340 173.9553 64 C 5.5561 8.1027 111.7988 53.8356 45.8801 172.9450 65 D 4.8630 9.2769 120.5805 52.9352 41.9657 176.2603 66 D 4.8260 8.7454 124.0576 52.4364 39.9701 177.0347 67 G 3.9558 8.5681 107.2189 46.4189 0.0000 174.5835 68 R 4.6045 8.3329 113.3134 55.6824 30.5967 174.6016 69 T 4.4896 7.8352 115.4403 61.1326 69.8828 172.6049 70 P 4.1997 0.0000 0.0000 63.7533 31.7951 176.3568 71 G 3.7753 8.5881 111.0143 46.3441 0.0000 173.3730 72 A 4.3459 7.8860 121.0364 51.4075 19.4231 178.3832 73 K 4.1614 8.2363 119.9538 55.5308 34.2646 176.1794 74 N 3.9859 7.9839 117.1623 54.5419 37.0405 174.8293 75 V 3.6843 8.1658 119.9050 66.2111 32.2963 176.2818 76 C 4.5067 8.7217 115.8962 57.4028 40.5553 173.2969 77 G 3.8170 7.9202 107.6701 46.3576 0.0000 172.8305 78 I 4.7230 7.9122 110.6785 58.5977 41.5406 174.5637 79 R 4.5412 8.5290 119.9227 55.7564 30.7655 177.6921 80 C 4.0602 8.7582 120.2216 59.8792 36.8265 176.6072 81 S 3.9452 7.9552 115.4721 61.6288 62.0995 176.3236 82 Q 4.1615 7.8861 120.1348 57.7904 28.5744 177.3964 83 L 4.4477 7.9753 119.2492 55.0397 41.7728 177.4243 84 L 5.5999 7.8291 117.7029 53.8072 42.4698 176.8174 85 T 4.2683 7.6229 109.0457 61.0927 69.6679 174.4244 86 D 4.4996 8.5984 122.4407 57.2982 41.0847 177.0158 87 D 4.5262 7.9622 118.7978 54.1063 41.7093 176.2441 88 L 4.3016 8.5308 125.5388 55.5341 42.0336 178.5492 89 T 3.8161 7.9281 117.3096 67.0023 68.4259 176.2248 90 V 3.5765 7.7547 118.8449 65.8530 31.6798 177.6113 91 A 4.0998 8.0173 120.0657 55.3413 18.1928 179.5215 92 I 3.4995 8.3233 118.5826 64.4257 37.0424 178.4924 93 R 3.7043 7.9099 119.5099 59.6605 29.7652 177.7693 94 C 4.2217 8.4329 118.0271 59.4949 42.4065 175.1670 95 A 3.9162 8.3084 122.8225 55.1579 17.5787 179.6596 96 K 3.5239 7.6165 116.0773 59.4388 32.4151 179.2693 97 R 4.0370 7.5345 118.9189 59.3238 30.0585 178.4677 98 V 2.4554 7.5334 118.3638 65.8903 31.3060 178.1582 99 V 3.9550 7.9203 110.5073 63.1555 31.2110 177.9134 100 L 4.2623 7.7419 118.1022 55.8658 41.9683 176.9699 101 D 4.6756 7.3989 118.7032 53.1317 41.5688 175.2595 102 P 4.2021 0.0000 0.0000 66.2089 31.6043 177.7154 103 N 4.4883 8.2569 113.4553 53.3861 39.9795 176.2635 104 G 3.9140 8.1424 108.7546 47.2123 0.0000 175.5244 105 I 3.8431 7.8851 119.6095 62.8681 38.0279 177.8519 106 G 3.9279 7.5084 107.4160 47.3252 0.0000 174.6265 107 A 3.9106 7.7310 122.7254 54.0402 18.6980 178.2294 108 W 4.6289 8.2169 117.1347 55.3725 30.2611 177.2591 109 V 3.6737 8.6578 124.0094 66.2231 31.0274 177.7334 110 A 4.1388 8.4227 119.9250 54.7332 18.0861 179.4870 111 W 3.9558 8.3801 126.4861 60.8799 30.7652 178.0790 112 R 3.7365 8.0969 116.5933 59.2622 29.5405 178.5179 113 L 3.8812 7.5951 118.9841 57.8027 42.3980 177.8898 114 H 4.2500 7.8474 113.8452 55.9426 29.5767 175.1439 115 C 4.5073 7.2258 117.2663 57.5648 42.3381 174.1518 116 Q 3.1585 6.7425 120.3801 57.1566 28.5993 176.4273 117 N 4.2174 8.5497 120.2235 53.7503 36.7088 174.2208 118 Q 4.2329 7.4400 117.2285 54.8097 29.9622 174.6695 119 D 4.6605 8.4141 118.9040 53.5745 41.4831 175.6461 120 L 4.9618 8.4218 125.6204 54.8415 42.6551 178.3880 121 R 4.0247 8.2266 120.7616 59.6470 29.3775 178.6253 122 S 4.1086 8.1478 113.2476 61.8419 62.5178 176.1038 123 Y 4.1410 7.9550 119.0989 59.7949 37.8762 177.0698 124 V 4.3351 7.6989 110.4151 60.4569 32.9990 175.3642 125 A 4.1554 7.4043 123.6319 53.6317 18.4599 178.3545 126 G 3.9635 8.8975 110.1972 45.9482 0.0000 174.8531 127 C 4.4030 8.1945 116.7394 56.7914 40.6926 173.9459 128 G 3.9482 8.1770 106.9136 46.4860 0.0000 173.9957 129 V 4.0353 7.7124 117.7086 61.2539 32.6973 175.6484 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 K 8.17 4.19 0.00 1.93 1.77 0.00 1.37 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.16 7.81 2 V 8.21 4.49 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 0.96 0.00 0.00 0.96 0.00 0.00 3 Y 9.21 4.25 0.00 2.81 2.80 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 4 D 8.83 4.42 0.00 2.77 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 5 R 8.52 3.19 0.00 1.69 1.81 0.00 3.52 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 6 C 8.10 4.33 0.00 2.98 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 7 E 8.60 3.89 0.00 2.13 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 0.00 2.50 2.34 0.00 8 L 8.20 3.78 0.00 1.65 1.64 0.48 1.40 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 9 A 8.07 4.02 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 10 R 8.37 3.84 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 11 A 8.04 3.98 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 12 L 8.25 3.81 0.00 1.80 1.63 1.03 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.25 3.88 0.00 1.98 2.03 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.51 7.81 14 A 8.01 4.06 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 15 S 7.49 4.54 0.00 3.69 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 16 G 7.71 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 0.00 0.00 0.00 17 M 7.74 3.77 0.00 1.05 1.88 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 18 D 7.90 4.47 0.00 2.67 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 19 G 9.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 3.96 0.00 3.24 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 21 A 8.84 3.25 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 22 G 8.34 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 23 N 7.97 4.68 0.00 3.03 2.18 0.00 0.00 6.78 7.73 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 24 S 8.35 4.82 0.00 4.07 4.04 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 0.00 0.00 0.00 0.00 25 L 9.39 4.16 0.00 2.00 1.84 1.05 1.07 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 26 P 0.00 4.42 0.00 2.29 2.42 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 27 N 8.15 4.34 0.00 2.60 2.45 0.00 0.00 6.93 7.75 0.00 0.00 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 W 7.84 4.14 0.00 3.52 3.15 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 29 V 8.02 3.77 2.26 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 1.40 0.00 0.00 1.12 0.00 0.00 30 C 8.12 3.35 0.00 1.98 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 31 L 7.99 4.07 0.00 2.06 2.08 0.56 -0.28 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 32 S 8.14 4.29 0.00 4.27 4.04 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 0.00 0.00 0.00 0.00 33 K 8.04 2.66 0.00 1.57 1.56 0.00 1.59 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.61 0.94 7.81 34 W 7.67 4.14 0.00 3.42 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 35 E 8.56 4.36 0.00 2.11 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 0.00 2.70 2.75 0.00 36 S 7.83 4.57 0.00 4.09 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 37 S 8.39 3.22 0.00 3.98 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 38 Y 7.54 3.68 0.00 3.23 3.09 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 39 N 7.81 5.20 0.00 2.82 2.84 0.00 0.00 6.98 8.15 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 40 T 8.93 4.06 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 1.44 0.00 0.00 41 Q 8.20 4.38 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 42 A 7.76 4.33 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 43 T 8.22 5.38 3.95 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 1.19 0.00 0.00 44 N 8.20 4.82 0.00 2.80 2.75 0.00 0.00 6.77 7.65 0.00 0.00 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 R 8.68 4.61 0.00 1.82 1.79 0.00 3.32 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 46 N 9.43 5.07 0.00 2.92 2.72 0.00 0.00 6.59 6.93 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 47 T 8.64 3.87 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 1.22 0.00 0.00 48 D 8.00 4.49 0.00 2.80 2.83 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 49 G 8.21 3.95 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 0.00 0.00 0.00 50 S 8.53 4.71 0.00 3.92 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 51 T 8.91 5.03 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 0.63 0.00 0.00 52 D 9.07 5.47 0.00 2.70 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 53 Y 9.03 4.95 0.00 3.04 2.90 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 54 G 8.99 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 55 I 8.06 3.63 1.58 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.63 -0.36 0.00 0.00 56 F 7.83 4.85 0.00 3.37 3.32 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 57 Q 7.92 3.57 0.00 2.53 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 58 I 8.07 4.16 2.10 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 1.20 1.00 1.08 0.00 0.00 59 N 9.12 5.45 0.00 3.05 2.99 0.00 0.00 6.98 7.58 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 60 S 9.15 4.60 0.00 4.03 4.31 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 61 R 8.89 3.77 0.00 1.67 1.25 0.00 2.81 0.00 0.00 2.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 62 Y 7.87 4.13 0.00 1.67 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 0.00 0.00 0.00 0.00 63 W 8.10 4.93 0.00 3.53 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 64 C 8.10 5.56 0.00 2.99 3.07 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 65 D 9.28 4.86 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.75 4.83 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 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 68 R 8.33 4.60 0.00 1.91 1.96 0.00 3.07 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 69 T 7.84 4.49 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 1.16 0.00 0.00 70 P 0.00 4.20 0.00 2.14 2.04 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 71 G 8.59 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 0.00 0.00 0.00 72 A 7.89 4.35 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 73 K 8.24 4.16 0.00 1.56 1.74 0.00 1.66 0.00 0.00 1.51 0.00 0.00 3.04 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.31 7.81 74 N 7.98 3.99 0.00 2.85 2.71 0.00 0.00 6.86 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 75 V 8.17 3.68 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 1.08 0.00 0.00 0.75 0.00 0.00 76 C 8.72 4.51 0.00 3.32 3.21 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 77 G 7.92 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 78 I 7.91 4.72 1.88 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 1.36 0.85 0.99 0.00 0.00 79 R 8.53 4.54 0.00 1.86 1.82 0.00 3.27 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 80 C 8.76 4.06 0.00 2.09 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 81 S 7.96 3.95 0.00 4.04 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 0.00 82 Q 7.89 4.16 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 83 L 7.98 4.45 0.00 1.92 1.81 1.04 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.83 5.60 0.00 1.82 1.74 1.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.62 4.27 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 1.23 0.00 0.00 86 D 8.60 4.50 0.00 2.71 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 87 D 7.96 4.53 0.00 2.66 2.60 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 88 L 8.53 4.30 0.00 1.71 1.61 0.79 0.29 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 89 T 7.93 3.82 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 1.19 0.00 0.00 90 V 7.75 3.58 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 1.14 0.00 0.00 0.94 0.00 0.00 91 A 8.02 4.10 1.44 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 0.00 0.00 92 I 8.32 3.50 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.63 0.00 0.00 93 R 7.91 3.70 0.00 1.95 2.08 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 94 C 8.43 4.22 0.00 3.06 3.09 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 95 A 8.31 3.92 0.72 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 0.00 0.00 96 K 7.62 3.52 0.00 1.54 1.36 0.00 1.26 0.00 0.00 0.92 0.00 0.00 2.25 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.79 7.81 97 R 7.53 4.04 0.00 1.89 2.05 0.00 3.26 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 98 V 7.53 2.46 1.76 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 -0.18 0.00 0.00 -0.63 0.00 0.00 99 V 7.92 3.96 2.26 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 1.30 0.00 0.00 1.44 0.00 0.00 100 L 7.74 4.26 0.00 1.87 1.78 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.40 4.68 0.00 3.08 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.02 2.14 0.00 3.68 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 2.03 2.14 0.00 103 N 8.26 4.49 0.00 2.71 2.82 0.00 0.00 7.07 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 0.00 104 G 8.14 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 0.00 0.00 0.00 105 I 7.89 3.84 1.15 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 0.07 0.41 -0.81 0.00 0.00 106 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 0.00 107 A 7.73 3.91 0.88 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 0.00 0.00 108 W 8.22 4.63 0.00 3.70 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 0.00 109 V 8.66 3.67 2.20 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 1.10 0.00 0.00 1.01 0.00 0.00 110 A 8.42 4.14 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 0.00 111 W 8.38 3.96 0.00 3.40 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 0.00 112 R 8.10 3.74 0.00 2.05 2.03 0.00 3.34 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 113 L 7.60 3.88 0.00 1.69 1.13 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.85 4.25 0.00 2.33 1.95 0.00 5.85 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 0.00 115 C 7.23 4.51 0.00 2.09 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 0.00 116 Q 6.74 3.16 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 5.95 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 117 N 8.55 4.22 0.00 2.78 2.87 0.00 0.00 7.09 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 0.00 118 Q 7.44 4.23 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 119 D 8.41 4.66 0.00 2.63 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 0.00 120 L 8.42 4.96 0.00 1.87 1.88 0.97 1.07 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 0.00 121 R 8.23 4.02 0.00 1.85 2.03 0.00 3.34 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 122 S 8.15 4.11 0.00 3.74 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 0.00 123 Y 7.96 4.14 0.00 3.25 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 0.00 124 V 7.70 4.34 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 0.84 0.00 0.00 1.04 0.00 0.00 125 A 7.40 4.16 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 0.00 126 G 8.90 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 0.00 127 C 8.19 4.40 0.00 3.11 3.16 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 0.00 128 G 8.18 3.95 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 0.00 0.00 0.00 129 V 7.71 4.04 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 0.75 0.00 0.00 0.96 0.00 0.00