NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 H 4.6507 8.3027 117.8385 55.6525 30.4869 171.6713 9 M 4.2109 8.0720 119.9192 55.1441 32.7505 174.1935 10 G 4.2986 9.6155 114.8328 46.4689 0.0000 171.7955 11 E 4.4712 7.0219 117.0646 54.0258 32.5610 175.4204 12 F 4.8519 8.3308 119.2344 55.3957 42.5690 175.1561 13 S 4.3724 8.7170 119.3621 58.7600 63.5917 174.4146 14 V 4.2709 8.2301 118.9686 63.2912 33.5996 175.5280 15 C 5.1857 7.9569 116.5584 55.1179 38.6591 173.8282 16 D 4.9223 9.0015 123.8663 53.6784 41.9875 175.5717 17 S 5.0399 8.3830 114.4153 56.8667 66.8185 173.3398 18 V 4.3489 8.7713 121.1118 61.4546 34.0248 174.3544 19 S 5.0932 8.5799 123.8242 57.0203 65.2640 173.8176 20 V 4.3669 7.8063 121.1408 60.3235 35.0231 172.8203 21 W 4.9299 8.7657 122.2872 56.3464 29.7361 176.7336 22 V 4.2393 9.6780 126.1250 61.2494 30.9142 176.0920 23 G 3.2194 8.6114 115.2353 47.6137 0.0000 172.0601 24 D 4.5598 7.7493 120.5308 52.4402 39.7049 174.5971 25 K 4.5707 7.6907 121.0288 54.5862 34.9949 175.2326 26 T 4.7113 8.3002 113.1453 61.3243 70.8771 173.3080 27 T 5.1695 7.6557 116.9490 62.4610 72.9697 172.8237 28 A 4.4248 8.7934 124.5916 51.9258 23.7532 174.5748 29 T 4.7225 8.1053 113.1931 61.6299 71.7435 173.5357 30 D 4.5651 9.0608 126.6985 54.9025 41.8418 177.1756 31 I 4.0546 9.1215 126.2427 64.5258 37.7990 177.3386 32 K 3.8867 8.5289 119.7234 58.3183 31.9386 177.3482 33 G 3.9912 8.0741 105.1199 45.0365 0.0000 173.6638 34 K 4.2131 8.1537 122.1837 54.6689 31.8666 175.0015 35 E 4.1784 8.3197 126.9607 56.3556 30.3017 176.1239 36 V 4.5248 8.4670 123.4714 61.4800 35.4827 171.6900 37 T 4.9805 8.0365 110.7290 60.0102 71.8367 173.5557 38 V 4.8162 8.0929 122.9107 61.4962 34.2545 174.4265 39 L 4.7514 8.3543 121.0457 52.8598 44.3652 175.4402 40 A 4.5486 8.3315 119.9987 52.9137 20.1349 177.4060 41 E 3.9558 9.4906 117.2139 58.5156 31.0548 178.8007 42 V 3.3399 7.8190 116.2288 64.0770 30.0456 174.4374 43 N 5.2563 7.6681 112.7285 52.5958 37.7751 177.3042 44 I 4.0302 8.5377 121.3720 64.3303 37.0606 175.8741 45 N 4.5369 8.8971 122.7838 53.0600 35.7855 176.2216 46 N 4.3298 8.1806 113.2456 53.5229 36.5857 174.5129 47 S 4.5332 7.0855 113.2592 57.1805 65.2756 174.2160 48 V 4.5548 7.7586 109.9785 60.3631 34.8111 178.2196 49 F 3.5923 8.7941 116.5782 57.0659 38.7607 179.6323 50 R 4.2668 9.7564 121.9664 57.3162 28.8440 174.6210 51 Q 4.7112 8.3595 118.9287 54.4871 31.0306 174.7202 52 Y 5.1673 8.7664 120.4650 56.9994 40.1682 175.0054 53 F 5.0746 9.3511 118.4583 56.1809 44.3101 173.7702 54 F 4.2464 8.7264 123.5155 56.5401 39.7796 174.1484 55 E 5.1078 8.1140 125.8024 54.6217 31.4665 175.6382 56 T 4.9487 8.0125 118.6168 61.9974 72.5023 173.1568 57 K 4.6606 8.5251 123.4977 55.0981 37.4551 174.0912 58 C 4.8430 8.5870 118.1115 56.5217 40.5186 174.0670 59 R 4.0581 8.3424 124.7173 59.2140 29.9780 175.8527 60 A 4.3936 7.4133 116.9986 51.6394 21.9772 176.4415 61 S 4.4366 8.5428 115.0200 61.6768 62.9384 174.9020 62 N 5.2254 7.6820 121.2808 50.3163 37.8611 172.8707 63 P 4.3910 0.0000 0.0000 64.2206 31.9629 176.8822 64 V 4.5500 7.7155 118.2713 60.8992 34.8749 175.5208 65 E 4.0249 8.8159 122.6785 59.2865 29.3677 178.8643 66 S 4.3945 7.9243 111.8298 58.9605 65.0461 172.9490 67 G 4.2939 7.3637 106.6142 44.9454 0.0000 176.4480 68 C 4.5668 8.6502 122.6830 56.2483 40.3317 173.5517 69 R 4.0208 8.4997 122.8608 58.9045 28.4949 176.0569 70 G 3.9086 8.8361 114.2332 45.4114 0.0000 172.0865 71 I 3.9933 7.3508 112.7463 59.6789 38.8268 175.9645 72 D 4.6788 8.2860 120.6705 53.0219 39.3120 176.4201 73 S 4.5207 8.3547 119.2328 59.9101 63.3930 176.2190 74 K 4.0841 8.1897 122.1108 58.6401 32.2629 176.7128 75 H 4.8421 8.4743 113.8991 54.8068 31.6290 173.7327 76 W 5.3548 8.2470 116.9503 54.8663 32.3014 174.7342 77 N 5.2069 9.3777 121.6655 52.3496 40.0505 174.2453 78 S 5.4515 8.6772 114.5590 56.9027 67.2249 172.1822 79 Y 4.9566 8.2500 116.8292 56.3638 40.8919 173.9864 80 C 4.7365 8.9378 121.2518 56.7745 42.5072 172.9429 81 T 4.7100 8.4137 118.4599 62.1816 72.9813 172.4811 82 T 4.9992 8.3458 118.4434 62.5549 70.5396 174.5954 83 T 4.4614 9.0084 121.9580 62.2045 71.1215 173.7514 84 H 5.2443 8.3735 122.5247 55.1784 31.3203 173.3461 85 T 4.6230 7.9653 113.3521 61.3780 71.4757 171.8506 86 F 5.3832 8.8949 121.3144 55.6297 42.3001 175.1617 87 V 4.6041 8.6443 121.0986 60.8173 35.1869 174.2289 88 K 3.6996 8.1533 127.7584 55.8798 32.8286 175.5428 89 A 4.9489 8.8826 127.7304 50.9606 23.6807 174.2888 90 L 4.2975 8.4839 122.2567 54.5196 42.4238 175.9558 91 T 4.8287 8.6263 116.6582 60.2045 72.6176 172.9293 92 T 4.5275 8.6526 115.7180 61.1921 70.1754 172.2586 93 D 4.7813 8.6905 130.8205 52.3532 40.7939 177.5642 94 E 3.8431 8.7805 129.1859 57.1669 27.8801 176.2202 95 K 4.1015 9.0502 125.7959 60.3021 32.3311 177.2328 96 Q 4.1651 7.8651 117.3639 55.1140 29.5348 174.9334 97 A 4.4601 8.3412 123.6008 50.4916 21.0883 174.5516 98 A 4.6496 7.8804 123.6461 50.1904 23.4289 174.3866 99 W 4.8668 8.6164 117.7465 57.1310 29.9366 176.6083 100 R 4.9588 9.1550 122.0085 55.0620 35.3541 173.6270 101 F 5.9340 9.3130 118.8860 55.6108 41.0338 175.1167 102 I 4.9678 8.5033 117.0262 59.2211 40.4973 175.0817 103 R 3.9705 8.3721 126.3420 55.3571 28.5947 174.3102 104 I 4.1992 8.0759 117.5455 59.0174 40.0286 175.5865 105 D 4.7948 8.5462 124.9661 55.5368 41.4520 176.7003 106 T 4.7367 8.7983 112.6655 62.1918 71.2034 172.6536 107 A 4.4362 7.4861 120.9196 51.7409 22.8960 175.2968 108 C 5.3459 8.7672 118.7081 54.9479 46.9253 173.4644 109 V 4.6071 8.4987 125.6141 59.8320 34.4164 174.3007 110 C 4.8062 8.6718 122.8668 56.3849 41.8314 172.7963 111 V 4.3519 7.9070 123.6290 61.1199 33.7858 175.1230 112 L 4.8782 8.6253 128.0313 54.6630 43.2486 176.2129 113 S 4.9238 9.1665 113.5007 57.5749 66.5114 174.5905 114 R 4.3128 8.6231 121.5546 55.7497 31.3916 175.3736 115 K 4.6310 7.8703 119.3180 54.5208 33.9508 177.0468 116 A 4.1815 8.5008 126.8967 52.5767 19.2667 177.6812 117 T 4.0502 8.0603 109.6340 62.3659 68.1916 173.4121 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 8 H 8.30 4.65 0.00 3.16 3.37 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.07 4.21 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 10 G 9.62 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 0.00 0.00 0.00 0.00 11 E 7.02 4.47 0.00 1.73 1.71 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 2.12 2.16 0.00 12 F 8.33 4.85 0.00 2.96 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 13 S 8.72 4.37 0.00 4.13 4.03 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 14 V 8.23 4.27 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 1.13 0.00 0.00 0.97 0.00 0.00 15 C 7.96 5.19 0.00 2.91 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 16 D 9.00 4.92 0.00 2.61 2.59 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 17 S 8.38 5.04 0.00 3.78 3.75 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 0.00 0.00 0.00 0.00 18 V 8.77 4.35 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 0.91 0.00 0.00 19 S 8.58 5.09 0.00 3.51 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 20 V 7.81 4.37 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 0.54 0.00 0.00 0.95 0.00 0.00 21 W 8.77 4.93 0.00 3.36 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 22 V 9.68 4.24 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 0.94 0.00 0.00 0.91 0.00 0.00 23 G 8.61 3.22 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 0.00 24 D 7.75 4.56 0.00 2.63 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 25 K 7.69 4.57 0.00 1.60 1.50 0.00 1.49 0.00 0.00 0.93 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.07 1.21 7.81 26 T 8.30 4.71 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 1.25 0.00 0.00 27 T 7.66 5.17 4.19 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 1.25 0.00 0.00 28 A 8.79 4.42 1.10 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 29 T 8.11 4.72 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 30 D 9.06 4.57 0.00 3.00 2.73 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 0.00 0.00 0.00 0.00 31 I 9.12 4.05 2.19 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 1.03 0.00 0.00 32 K 8.53 3.89 0.00 1.98 1.91 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.44 7.81 33 G 8.07 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 34 K 8.15 4.21 0.00 1.86 1.85 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.43 7.81 35 E 8.32 4.18 0.00 1.94 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 2.40 0.00 36 V 8.47 4.52 2.22 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 0.75 0.00 0.00 0.97 0.00 0.00 37 T 8.04 4.98 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 1.23 0.00 0.00 38 V 8.09 4.82 2.30 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 0.91 0.00 0.00 0.85 0.00 0.00 39 L 8.35 4.75 0.00 1.58 1.51 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.33 4.55 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 41 E 9.49 3.96 0.00 1.99 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 0.00 2.33 2.33 0.00 42 V 7.82 3.34 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 0.94 0.00 0.00 0.97 0.00 0.00 43 N 7.67 5.26 0.00 2.78 2.84 0.00 0.00 7.31 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.54 4.03 2.11 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 1.35 0.55 1.00 0.00 0.00 45 N 8.90 4.54 0.00 2.79 3.26 0.00 0.00 7.13 6.92 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 46 N 8.18 4.33 0.00 2.86 2.96 0.00 0.00 7.06 7.57 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 47 S 7.09 4.53 0.00 3.68 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 48 V 7.76 4.55 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 0.76 0.00 0.00 0.95 0.00 0.00 49 F 8.79 3.59 0.00 3.18 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 0.00 0.00 0.00 50 R 9.76 4.27 0.00 2.05 2.10 0.00 3.17 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 51 Q 8.36 4.71 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 52 Y 8.77 5.17 0.00 2.83 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 53 F 9.35 5.07 0.00 2.93 2.96 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 54 F 8.73 4.25 0.00 1.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 5.11 0.00 1.81 1.69 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 2.18 2.05 0.00 56 T 8.01 4.95 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 1.15 0.00 0.00 57 K 8.53 4.66 0.00 1.63 1.63 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.33 7.81 58 C 8.59 4.84 0.00 2.84 3.22 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 59 R 8.34 4.06 0.00 1.98 1.98 0.00 3.30 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 60 A 7.41 4.39 1.21 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 61 S 8.54 4.44 0.00 3.96 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 62 N 7.68 5.23 0.00 2.68 3.06 0.00 0.00 6.91 8.02 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 63 P 0.00 4.39 0.00 2.17 2.18 0.00 3.90 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.96 0.00 64 V 7.72 4.55 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 0.98 0.00 0.00 0.92 0.00 0.00 65 E 8.82 4.02 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 2.37 0.00 66 S 7.92 4.39 0.00 4.01 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 67 G 7.36 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 0.00 0.00 0.00 0.00 68 C 8.65 4.57 0.00 2.93 3.14 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 0.00 0.00 0.00 0.00 69 R 8.50 4.02 0.00 1.75 1.88 0.00 3.21 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 70 G 8.84 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 0.00 0.00 0.00 71 I 7.35 3.99 1.78 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 1.40 0.98 0.88 0.00 0.00 72 D 8.29 4.68 0.00 2.84 2.98 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 73 S 8.35 4.52 0.00 4.05 4.03 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 74 K 8.19 4.08 0.00 1.70 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.07 1.26 7.81 75 H 8.47 4.84 0.00 2.93 2.75 0.00 5.80 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.25 5.35 0.00 3.26 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 77 N 9.38 5.21 0.00 2.71 2.79 0.00 0.00 6.33 7.26 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 78 S 8.68 5.45 0.00 3.89 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 79 Y 8.25 4.96 0.00 3.05 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 80 C 8.94 4.74 0.00 2.98 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 81 T 8.41 4.71 4.03 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 1.20 0.00 0.00 82 T 8.35 5.00 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 1.24 0.00 0.00 83 T 9.01 4.46 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 1.16 0.00 0.00 84 H 8.37 5.24 0.00 2.82 2.94 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.97 4.62 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 1.31 0.00 0.00 86 F 8.89 5.38 0.00 3.15 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 87 V 8.64 4.60 2.31 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 1.06 0.00 0.00 1.12 0.00 0.00 88 K 8.15 3.70 0.00 1.01 1.34 0.00 1.79 0.00 0.00 1.39 0.00 0.00 2.56 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.05 7.81 89 A 8.88 4.95 1.52 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 90 L 8.48 4.30 0.00 0.67 1.50 -0.28 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.63 4.83 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 1.29 0.00 0.00 92 T 8.65 4.53 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 1.22 0.00 0.00 93 D 8.69 4.78 0.00 2.74 2.59 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 94 E 8.78 3.84 0.00 2.16 1.12 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 2.19 2.31 0.00 95 K 9.05 4.10 0.00 1.73 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.45 7.81 96 Q 7.87 4.17 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 97 A 8.34 4.46 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.88 4.65 1.18 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 0.00 0.00 99 W 8.62 4.87 0.00 3.21 3.12 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 0.00 0.00 0.00 100 R 9.16 4.96 0.00 1.83 1.91 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 101 F 9.31 5.93 0.00 3.02 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 0.00 102 I 8.50 4.97 1.86 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 0.97 0.00 0.00 103 R 8.37 3.97 0.00 1.62 1.80 0.00 3.04 0.00 0.00 2.80 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.17 0.00 104 I 8.08 4.20 1.81 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 1.29 0.67 0.86 0.00 0.00 105 D 8.55 4.79 0.00 2.59 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 0.00 106 T 8.80 4.74 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 1.30 0.00 0.00 107 A 7.49 4.44 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 0.00 108 C 8.77 5.35 0.00 2.90 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 0.00 109 V 8.50 4.61 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 0.62 0.00 0.00 0.86 0.00 0.00 110 C 8.67 4.81 0.00 2.93 2.93 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 0.00 111 V 7.91 4.35 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 1.01 0.00 0.00 0.56 0.00 0.00 112 L 8.63 4.88 0.00 1.65 1.81 -0.16 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.17 4.92 0.00 3.94 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 0.00 114 R 8.62 4.31 0.00 1.52 1.55 0.00 3.03 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 115 K 7.87 4.63 0.00 1.53 1.64 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.39 7.81 116 A 8.50 4.18 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 0.00 117 T 8.06 4.05 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 1.17 0.00 0.00