NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2609 8.3149 121.7920 56.3581 33.1373 177.7773 4 C 4.9159 8.5473 127.1179 55.2012 36.6407 171.6471 5 S 4.5914 8.4164 117.4429 57.1816 64.3499 174.5610 6 L 4.2021 8.2017 127.6637 57.1214 41.5985 177.8785 7 T 3.9108 6.8454 112.1678 64.3821 68.9610 172.6232 8 G 3.5775 8.2062 111.7865 43.4926 0.0000 171.6588 9 K 4.9702 8.1500 118.2140 54.9372 34.8273 175.5826 10 W 5.4356 9.3462 123.6100 55.2190 33.6786 174.1580 11 T 5.4381 9.5143 115.3637 59.8660 71.0317 172.8048 12 N 5.9491 8.6256 124.5449 50.1887 40.1532 174.9408 13 D 4.5379 8.6795 116.9639 55.2635 39.6302 176.7606 14 L 4.2901 8.2483 119.0663 54.7575 42.2028 177.4131 15 G 3.8966 8.2017 107.2227 45.2797 0.0000 173.7597 16 S 4.6541 7.8687 115.6874 58.0168 64.4174 172.6638 17 N 5.6282 8.8027 117.8141 52.0452 42.9960 173.7992 18 M 4.9830 8.9466 118.5177 54.0378 35.5622 173.7965 19 T 5.0840 8.6256 116.6976 61.9153 72.1818 172.8922 20 I 4.6739 8.8585 127.2810 59.6002 39.7055 176.4315 21 G 3.8994 9.1565 116.4300 45.6094 0.0000 172.4734 22 A 4.1321 8.6041 124.4065 52.0340 18.8710 177.8096 23 V 4.2862 7.8267 122.8630 60.4080 31.9422 176.1843 24 N 4.6880 9.0697 124.1573 51.8482 38.0890 175.8564 25 S 4.2646 8.5775 112.0244 60.4971 62.9461 175.0168 26 R 4.4268 8.6025 119.3552 55.9121 30.3658 176.6977 27 G 4.0484 8.4562 106.0056 46.4792 0.0000 173.3658 28 E 4.8578 8.0103 119.1124 55.5637 31.4633 175.1805 29 F 5.3753 7.8639 115.5224 56.1863 41.8294 173.1281 30 T 4.8883 8.3759 115.4378 62.5818 72.7940 173.6363 31 G 4.6502 8.2725 108.1912 47.3951 0.0000 172.5085 32 T 5.0591 8.2697 108.2536 60.1168 72.8829 172.2409 33 Y 4.9644 9.5729 124.1701 56.0454 42.1839 173.9292 34 I 4.7580 8.8058 128.2697 59.7681 39.2090 175.0113 35 T 4.5009 9.0191 122.4715 61.5230 67.9146 174.4749 36 A 4.2689 8.9970 131.9649 53.6681 18.8117 177.4870 37 V 4.3966 7.4033 113.8824 60.4402 34.4050 173.6632 38 A 4.2093 7.6615 122.4670 52.0906 21.8303 176.1801 39 D 4.3593 8.8198 117.7518 57.1746 41.0841 177.1090 40 N 4.8299 7.7473 119.5709 50.7034 38.9031 173.2963 41 P 4.3293 0.0000 0.0000 64.0609 31.9159 179.2002 42 G 3.6995 8.0548 106.8154 47.9597 0.0000 173.9812 43 N 4.5825 7.7523 115.0474 52.9658 39.3568 175.4744 44 I 2.0000 6.5324 118.7233 61.5806 37.4871 175.3043 45 T 4.6832 7.2942 113.6584 58.9303 71.8999 173.1504 46 L 4.2932 8.6390 124.1550 56.3489 42.4581 176.3735 47 S 5.0960 9.3179 121.6813 55.9430 66.8351 172.0340 48 P 4.8338 0.0000 0.0000 62.9581 33.2793 174.7300 49 L 4.9734 8.0706 121.3941 53.9705 45.7983 174.2567 50 L 5.0450 8.7342 124.9383 53.3973 46.7502 175.6340 51 G 4.0345 7.2447 108.1804 45.9998 0.0000 171.7374 52 I 4.9509 8.2169 120.0447 59.4004 39.8932 175.3503 53 Q 5.0889 9.5828 128.5186 54.9090 31.4224 173.9978 54 H 4.3588 8.7968 121.0451 55.6530 29.7410 175.9190 *57 K 4.4116 8.6736 123.3729 56.8012 33.9736 177.0874 58 R 4.0030 8.1524 116.3639 59.0176 30.2875 177.6161 59 A 4.0132 8.0437 118.8461 52.8845 18.5556 177.6302 60 S 4.3701 8.6541 116.4740 60.2198 63.7497 174.3059 61 Q 4.7616 7.9235 119.1446 52.0873 29.1058 173.3381 62 P 4.6974 0.0000 0.0000 62.2470 34.0785 175.4588 63 T 4.9873 8.2737 116.8397 62.9394 70.9179 173.6271 64 F 5.2029 8.0688 117.7837 56.8842 41.9870 172.7060 65 G 4.4526 9.2011 104.1399 45.6711 0.0000 172.4448 66 F 5.5400 8.8149 116.2813 55.8529 42.0822 172.9261 67 T 4.9892 9.2994 116.9781 61.9186 71.2490 173.6755 68 V 4.4227 8.8488 125.7371 61.0077 34.0886 173.7127 69 N 4.6436 8.0080 127.4641 51.3897 39.4717 174.1542 70 W 4.2879 7.6307 126.4741 56.6725 29.0114 177.2645 71 K 4.2060 9.0723 124.5699 57.8625 31.9622 177.6843 72 F 4.8842 7.6770 111.9741 56.4529 38.4672 174.8400 73 S 4.5209 7.1546 114.4660 58.0263 65.4413 173.3185 74 E 4.4428 8.6088 118.4831 56.6497 29.8524 176.1331 75 S 4.9219 7.8491 116.6830 57.9727 65.3725 173.1068 76 T 4.9902 8.6815 116.3262 62.3606 72.8055 173.4849 77 T 5.2166 8.6283 121.2144 61.8777 72.2760 173.4330 78 V 4.9205 8.6491 117.8195 59.5876 35.4455 174.6462 79 F 5.4519 8.9540 122.8579 55.9050 42.4953 174.3196 80 T 4.7009 9.1230 112.2481 59.5130 72.8211 173.3728 81 G 4.1351 6.5524 106.3235 46.2875 0.0000 171.1843 82 Q 4.8857 7.6538 120.0756 54.9753 32.8252 175.1292 83 C 5.0864 9.4819 127.0971 56.1029 39.1110 172.5575 84 F 5.0145 9.3202 124.8359 56.0583 42.2070 175.0668 85 I 4.5727 9.4689 122.6439 59.4488 37.7714 175.5842 86 D 4.6440 8.8206 127.8935 53.0621 39.7569 178.0435 87 R 4.0359 8.3726 117.2861 59.1863 30.1431 177.6986 88 N 4.6057 8.4708 113.0496 53.3686 38.1212 176.0772 89 G 3.9720 7.9398 106.1083 45.3362 0.0000 173.9772 90 K 4.5555 8.2150 120.1073 55.5839 34.6170 176.4789 91 E 5.2395 9.0399 122.1709 56.2277 31.3415 175.8917 92 V 4.9097 8.3935 119.1978 60.9349 35.0396 172.4817 93 L 5.1830 9.0088 124.1957 53.2428 43.8008 175.6690 94 K 4.9657 8.9545 125.3217 55.6850 33.4024 176.4454 95 T 5.3878 9.1885 114.8383 60.5079 72.9788 172.6290 96 M 5.4038 9.3165 121.4484 53.5250 36.6542 174.4421 97 W 5.5300 8.5782 116.5860 55.0850 32.4576 173.5285 98 L 5.3843 8.7646 120.2902 52.9526 44.6396 175.2116 99 L 5.0290 9.4617 126.1078 53.3857 44.5842 174.7331 100 R 4.9261 9.4507 128.0266 54.9652 31.7365 176.0097 101 S 5.1451 9.0685 123.3011 57.1530 64.6768 173.3775 102 S 4.6721 8.3825 115.2472 56.7058 63.5975 173.4245 103 V 4.5191 8.0297 119.5901 59.6719 34.6614 175.2682 104 N 4.6110 8.5610 117.9819 54.2741 39.4407 175.0899 105 D 4.9625 7.5926 116.5414 51.7745 44.8421 175.8550 106 I 3.6311 8.5910 124.6805 64.2742 38.0072 178.2117 107 G 3.9944 8.0998 106.9036 47.7212 0.0000 173.3203 108 D 4.8686 7.9454 118.7809 53.9723 41.5137 177.7144 109 D 4.3009 8.7243 122.5804 56.7978 41.3570 178.2396 110 W 4.4536 8.3543 115.5018 58.7678 27.7356 176.5896 111 K 3.9738 6.7350 114.6941 56.1311 32.1251 176.6067 112 A 4.1761 7.8331 122.9601 53.3738 19.2021 177.1774 113 T 5.0359 7.6399 112.5055 61.5866 70.7220 173.7213 114 R 4.8834 9.0483 126.9385 54.4651 33.1479 174.8758 115 V 4.4048 7.8645 122.9080 60.1673 34.7390 174.6710 116 G 3.1637 6.4554 108.2520 45.6885 0.0000 170.7703 117 Y 5.3032 7.4596 117.4105 55.5013 41.5069 174.4644 118 N 5.0137 9.0545 113.2139 52.6640 44.1104 174.2766 119 I 4.9756 9.0383 123.5909 59.9391 39.9216 175.2108 120 F 5.2765 9.2992 126.5321 57.0779 41.6753 175.2413 121 T 5.0381 9.2326 111.9283 61.3342 71.1317 172.9055 122 R 3.8016 9.0431 127.9611 56.7076 31.0008 176.2496 123 L 4.3288 8.3927 123.1536 55.2365 41.9597 176.0284 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 3 K 8.31 4.26 0.00 1.72 1.83 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.54 7.81 4 C 8.55 4.92 0.00 3.25 3.08 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 0.00 0.00 0.00 0.00 5 S 8.42 4.59 0.00 3.85 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 6 L 8.20 4.20 0.00 1.19 0.99 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 7 T 6.85 3.91 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 1.26 0.00 0.00 8 G 8.21 3.58 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 0.00 9 K 8.15 4.97 0.00 1.74 1.85 0.00 1.36 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.25 7.81 10 W 9.35 5.44 0.00 3.21 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 11 T 9.51 5.44 4.40 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 0.00 0.00 0.00 1.33 0.00 0.00 12 N 8.63 5.95 0.00 2.39 1.42 0.00 0.00 6.63 7.43 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 13 D 8.68 4.54 0.00 2.87 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 14 L 8.25 4.29 0.00 1.80 1.76 0.91 0.82 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 15 G 8.20 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 0.00 0.00 0.00 0.00 16 S 7.87 4.65 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 17 N 8.80 5.63 0.00 2.51 2.59 0.00 0.00 6.90 8.47 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 18 M 8.95 4.98 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 19 T 8.63 5.08 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 20 I 8.86 4.67 1.96 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.46 0.54 0.00 0.00 21 G 9.16 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 0.00 0.00 0.00 0.00 22 A 8.60 4.13 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 23 V 7.83 4.29 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 0.76 0.00 0.00 1.11 0.00 0.00 24 N 9.07 4.69 0.00 2.94 3.04 0.00 0.00 6.32 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 25 S 8.58 4.26 0.00 4.01 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 0.00 26 R 8.60 4.43 0.00 1.87 1.93 0.00 3.17 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 27 G 8.46 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 0.00 0.00 0.00 0.00 28 E 8.01 4.86 0.00 2.02 1.74 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 2.23 2.23 0.00 29 F 7.86 5.38 0.00 3.06 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 30 T 8.38 4.89 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 1.25 0.00 0.00 31 G 8.27 4.65 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 0.00 0.00 0.00 32 T 8.27 5.06 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 33 Y 9.57 4.96 0.00 2.90 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 34 I 8.81 4.76 1.87 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 1.13 0.70 0.95 0.00 0.00 35 T 9.02 4.50 5.01 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 1.51 0.00 0.00 36 A 9.00 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 37 V 7.40 4.40 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 0.64 0.00 0.00 0.91 0.00 0.00 38 A 7.66 4.21 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 39 D 8.82 4.36 0.00 2.63 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 40 N 7.75 4.83 0.00 2.75 2.74 0.00 0.00 7.10 8.03 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 41 P 0.00 4.33 0.00 2.12 2.03 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 42 G 8.05 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 43 N 7.75 4.58 0.00 2.87 2.94 0.00 0.00 7.00 6.88 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 44 I 6.53 2.00 1.60 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.00 0.83 0.00 0.00 45 T 7.29 4.68 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 1.30 0.00 0.00 46 L 8.64 4.29 0.00 1.74 1.72 0.95 0.95 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 47 S 9.32 5.10 0.00 4.04 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 48 P 0.00 4.83 0.00 2.07 2.16 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 49 L 8.07 4.97 0.00 1.61 1.58 0.58 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.73 5.04 0.00 1.54 1.36 0.87 0.70 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 51 G 7.24 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 0.00 0.00 0.00 52 I 8.22 4.95 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.98 0.89 0.00 0.00 53 Q 9.58 5.09 0.00 2.40 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 54 H 8.80 4.36 0.00 3.33 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 K 8.67 4.41 0.00 1.76 1.89 0.00 1.53 0.00 0.00 2.41 0.00 0.00 3.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.52 7.81 58 R 8.15 4.00 0.00 1.84 1.99 0.00 3.36 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 59 A 8.04 4.01 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 60 S 8.65 4.37 0.00 4.01 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 61 Q 7.92 4.76 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 62 P 0.00 4.70 0.00 2.24 2.31 0.00 3.80 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 2.11 2.03 0.00 63 T 8.27 4.99 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 1.21 0.00 0.00 64 F 8.07 5.20 0.00 3.38 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 65 G 9.20 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.81 5.54 0.00 3.28 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 67 T 9.30 4.99 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 1.16 0.00 0.00 68 V 8.85 4.42 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 -0.11 0.00 0.00 0.86 0.00 0.00 69 N 8.01 4.64 0.00 2.60 2.60 0.00 0.00 7.31 9.22 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 70 W 7.63 4.29 0.00 2.96 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 0.00 0.00 0.00 0.00 71 K 9.07 4.21 0.00 1.96 1.97 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.59 7.81 72 F 7.68 4.88 0.00 3.19 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 73 S 7.15 4.52 0.00 3.82 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 74 E 8.61 4.44 0.00 1.95 1.99 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 2.23 2.30 0.00 75 S 7.85 4.92 0.00 3.71 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 76 T 8.68 4.99 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 77 T 8.63 5.22 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 0.84 0.00 0.00 78 V 8.65 4.92 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 0.70 0.00 0.00 0.92 0.00 0.00 79 F 8.95 5.45 0.00 1.73 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 80 T 9.12 4.70 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 1.18 0.00 0.00 81 G 6.55 4.14 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 0.00 82 Q 7.65 4.89 0.00 1.94 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.97 0.00 0.00 0.00 0.00 0.00 1.34 2.17 0.00 83 C 9.48 5.09 0.00 3.01 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 84 F 9.32 5.01 0.00 3.05 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 85 I 9.47 4.57 1.96 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 0.82 1.00 0.00 0.00 86 D 8.82 4.64 0.00 2.92 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 87 R 8.37 4.04 0.00 1.84 2.05 0.00 3.39 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 88 N 8.47 4.61 0.00 2.74 2.85 0.00 0.00 6.95 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 89 G 7.94 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 0.00 0.00 0.00 90 K 8.22 4.56 0.00 1.92 1.96 0.00 1.42 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.94 7.81 91 E 9.04 5.24 0.00 2.16 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 0.00 2.51 2.23 0.00 92 V 8.39 4.91 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 0.84 0.00 0.00 1.14 0.00 0.00 93 L 9.01 5.18 0.00 1.75 1.81 -0.82 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.95 4.97 0.00 1.96 1.90 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.66 7.81 95 T 9.19 5.39 4.70 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 1.59 0.00 0.00 96 M 9.32 5.40 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 97 W 8.58 5.53 0.00 2.68 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 0.00 0.00 0.00 0.00 98 L 8.76 5.38 0.00 1.64 1.62 0.91 0.55 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 99 L 9.46 5.03 0.00 1.58 1.75 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.45 4.93 0.00 1.94 1.92 0.00 3.31 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 101 S 9.07 5.15 0.00 3.67 3.73 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 0.00 102 S 8.38 4.67 0.00 3.79 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 0.00 103 V 8.03 4.52 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 0.68 0.00 0.00 0.96 0.00 0.00 104 N 8.56 4.61 0.00 2.70 2.86 0.00 0.00 6.64 8.06 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 0.00 105 D 7.59 4.96 0.00 2.71 2.47 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 0.00 106 I 8.59 3.63 1.88 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 1.37 0.64 0.93 0.00 0.00 107 G 8.10 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 0.00 108 D 7.95 4.87 0.00 2.82 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.72 4.30 0.00 2.83 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 0.00 110 W 8.35 4.45 0.00 3.58 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 0.00 111 K 6.74 3.97 0.00 1.10 0.74 0.00 1.21 0.00 0.00 1.18 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.74 7.81 112 A 7.83 4.18 1.32 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 0.00 0.00 113 T 7.64 5.04 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 1.22 0.00 0.00 114 R 9.05 4.88 0.00 2.09 2.09 0.00 3.07 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 115 V 7.86 4.40 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 0.63 0.00 0.00 0.66 0.00 0.00 116 G 6.46 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 0.00 0.00 0.00 117 Y 7.46 5.30 0.00 3.07 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 0.00 118 N 9.05 5.01 0.00 3.27 2.77 0.00 0.00 7.24 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 0.00 119 I 9.04 4.98 1.99 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 1.40 1.03 1.05 0.00 0.00 120 F 9.30 5.28 0.00 2.85 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 0.00 121 T 9.23 5.04 4.44 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 1.37 0.00 0.00 122 R 9.04 3.80 0.00 1.49 1.51 0.00 3.03 0.00 0.00 2.73 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 123 L 8.39 4.33 0.00 1.52 1.50 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.