NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2810 8.1593 117.3412 62.5887 71.1249 172.9909 5 Y 4.9518 6.9100 120.8883 55.6273 41.0961 173.1281 6 D 4.5865 9.9966 123.1879 55.3498 43.3578 177.8013 7 F 4.9790 8.1524 115.2321 55.4577 43.9224 173.9265 8 L 4.9819 8.7006 121.6544 53.7083 44.5078 175.2559 9 F 5.3917 8.7738 125.9721 55.6954 41.7006 174.9921 10 K 4.9232 9.0499 125.2931 56.1162 33.3983 175.2616 11 F 5.8267 9.8391 126.4903 55.9442 42.2615 174.5278 12 L 5.3375 8.7348 121.4513 53.0943 45.0965 175.6348 13 V 4.7403 8.7545 122.1387 61.1844 33.8294 174.4552 14 I 4.7634 8.9231 120.9405 57.4645 41.1744 174.7267 15 G 3.6687 6.7879 109.1735 43.2103 0.0000 172.5322 16 N 4.6960 8.2910 117.3602 53.0727 39.1071 174.8722 17 A 4.1025 8.6330 123.6616 54.1089 17.4530 178.5179 18 G 4.0567 8.9824 109.2553 45.7185 0.0000 175.4871 19 T 3.9366 7.4883 109.2785 63.1032 69.0965 175.3553 20 G 4.2456 7.6796 110.5995 45.7168 0.0000 176.0679 21 K 3.9268 8.4371 121.0498 59.4068 31.9805 179.1793 22 S 4.4888 7.8993 116.2029 61.2890 62.7773 176.3449 23 C 4.1791 8.0946 119.0116 62.6792 27.8209 175.9681 24 L 4.1020 8.2568 120.7635 57.7141 41.2471 179.2825 25 L 4.0882 8.0572 120.2007 58.6698 42.0088 178.7359 26 H 4.0703 8.6066 116.4170 58.7748 28.6011 177.6044 27 Q 4.2305 8.5918 123.1380 58.6041 28.7226 177.9658 28 F 4.3569 8.3217 120.6361 61.4083 39.4461 176.6708 29 I 3.5388 7.3851 117.4609 63.1794 37.4542 176.7810 30 E 4.2969 8.2338 116.0479 55.2852 30.1483 175.9332 31 K 4.0234 8.0883 119.8636 57.3865 30.1580 175.8199 32 K 4.6771 7.5454 116.7067 52.8252 35.8221 177.2264 33 F 4.7917 8.7370 123.5916 56.8995 39.6084 175.1812 34 K 3.6822 8.3670 129.9209 56.7906 32.2164 175.8816 35 D 4.1282 8.5978 126.4672 55.9226 39.7835 176.3861 36 D 4.5136 7.6521 122.4301 52.1221 40.1158 174.3724 37 S 4.6942 8.1964 121.8631 56.7962 64.9890 173.5581 38 N 4.9967 8.4881 124.3358 51.1221 41.3706 173.1246 *39 H 4.0003 8.8160 114.8502 55.3522 28.2931 176.2258 40 T 3.9738 8.4770 121.4694 63.2045 68.7393 174.5884 41 I 4.1585 9.3416 127.9408 59.2850 39.6702 174.5711 42 G 3.5130 6.7184 113.1382 43.9779 0.0000 175.8007 43 V 4.6566 8.2851 121.0106 61.7785 34.7953 173.5382 44 E 4.5219 9.3422 128.3697 55.9370 31.1883 175.3218 45 F 4.9455 8.7010 123.4032 56.4467 42.1503 174.4651 46 G 3.8267 7.4485 111.0800 44.4235 0.0000 171.1759 47 S 4.8483 7.9017 115.5985 55.9562 65.3938 173.0534 48 K 4.3815 8.4349 126.5475 55.1465 35.9425 174.1964 49 I 4.9116 8.1808 127.6839 59.7495 38.6898 174.9659 50 I 4.6091 8.6714 120.3376 58.9922 40.9969 174.2620 51 N 4.9275 8.7089 123.0563 52.4847 39.3021 174.5726 52 V 4.4232 8.9151 125.9651 61.0517 34.7049 175.1581 53 G 4.0932 9.6673 108.8190 46.8043 0.0000 173.5837 54 G 3.9364 8.4472 102.3317 45.7102 0.0000 173.8728 55 K 4.7035 8.0051 117.6291 54.7005 37.4331 174.7569 56 Y 4.9747 9.0224 120.0216 56.9540 39.6674 174.9077 57 V 4.6525 8.8506 125.0239 60.7784 34.3871 174.1833 58 K 4.3785 8.6482 130.4106 55.8373 33.5734 175.2045 59 L 4.7272 8.6754 128.1842 53.3106 43.9096 175.5108 60 Q 4.1864 8.8837 123.7786 54.5274 30.4693 174.4907 61 I 4.8801 7.8687 126.3779 59.1855 39.8613 175.0474 62 W 5.0608 9.2398 127.8490 55.1062 31.0047 175.0968 63 D 4.9760 9.1359 127.6979 53.3501 40.8132 175.9430 64 T 4.3962 8.6878 116.9919 60.9412 70.9494 173.5492 65 A 4.4583 8.2239 124.4331 51.3621 19.0056 178.2757 66 G 3.9976 8.8858 110.4968 47.0822 0.0000 174.4675 67 L 4.2530 7.9890 120.6932 54.5874 42.5737 177.5291 68 E 4.0135 9.1408 123.7576 59.3565 29.6782 179.1077 69 R 3.9472 8.0354 113.3717 58.2397 29.7637 177.4627 70 F 4.7625 8.2229 117.1526 57.3778 39.1308 177.4866 71 R 4.0215 7.9432 120.8725 59.6143 29.6131 178.8818 72 S 4.0791 8.0337 112.2857 61.2931 62.1985 176.2458 73 V 3.7357 7.7925 119.8237 66.1945 31.7963 177.6741 74 T 4.3018 8.6050 110.0957 65.1343 68.6917 176.7235 75 R 2.8235 8.1404 121.2716 58.3977 29.7858 178.8937 76 S 4.1965 7.6305 112.4701 60.6382 63.0646 175.2294 77 Y 4.0731 7.8719 119.1457 59.3745 38.1783 176.8219 78 Y 4.4736 8.3708 121.3389 60.7151 38.1141 177.2658 79 R 4.3562 7.6737 116.9739 57.9467 29.7993 178.4035 80 G 4.0842 9.0549 111.2670 44.2672 0.0000 173.5543 81 A 4.3580 7.7622 123.1465 52.3068 18.9613 177.2776 82 A 4.3227 9.1382 125.3966 53.8015 20.2239 177.3348 83 G 4.0512 7.9346 100.4349 44.6701 0.0000 171.7067 84 A 4.9642 8.4043 121.6572 49.9569 23.2870 175.4183 85 L 4.4879 8.5375 122.1599 53.4122 43.2479 175.8035 86 L 4.6522 8.5771 128.1270 53.8454 43.0776 175.2148 87 V 4.9423 8.6905 127.7375 61.2563 34.0733 174.0104 88 Y 4.9025 8.5552 124.4238 55.3247 42.4458 173.1858 89 D 5.2368 9.1154 119.7992 52.3419 42.6248 177.2213 90 I 4.0633 8.8123 120.4589 63.2925 37.8188 177.3296 91 T 4.6468 8.2239 109.6508 61.1932 69.3591 174.8297 92 S 4.4832 8.0860 117.3535 55.5185 63.4176 173.5547 93 R 4.0077 9.3914 131.1179 60.3039 29.6108 178.3919 94 E 4.0675 8.2863 117.5447 61.3414 29.4811 181.1592 95 T 4.2528 7.8406 109.6536 64.9452 69.1525 175.8645 96 Y 3.8938 8.0204 121.9276 60.4312 38.6902 177.2482 97 N 4.1446 8.4136 116.5892 55.8773 39.0484 176.3701 98 A 4.2582 7.7886 120.2046 52.9275 18.6539 179.1546 99 L 4.1603 7.5299 118.3119 57.9332 41.5009 179.5571 100 T 4.0213 7.7915 115.2911 66.7738 68.5251 176.3123 101 N 4.2944 8.0457 117.8944 55.9176 38.5795 177.3439 102 W 4.3538 7.9528 119.9247 59.7657 29.2185 178.2983 103 L 4.0412 8.4939 120.5147 58.4637 41.5879 178.9802 104 T 3.8592 8.2201 115.8993 66.8849 68.3801 176.0678 105 D 4.3982 8.1770 119.4289 57.1860 41.1400 178.1185 106 A 4.1856 8.4968 121.3974 55.5333 18.2673 179.9794 107 R 4.0544 7.9007 114.9869 59.1219 30.1075 178.9021 108 M 4.1816 8.0085 117.6754 58.7467 32.4689 177.9065 109 L 4.2798 8.2859 117.3413 55.5549 42.2107 176.7309 110 A 4.7355 7.8757 121.3072 49.6448 21.4684 176.2452 111 S 4.3068 8.2772 113.3985 58.4316 63.2755 175.4288 112 Q 4.1075 8.5473 122.2578 58.5119 28.8623 176.9931 113 N 4.4969 7.5753 112.5791 54.9435 39.0046 175.2534 114 I 3.7420 7.2470 119.2520 61.7405 38.6659 175.1413 115 V 4.0903 8.4136 129.4865 61.8135 33.1237 174.4442 116 I 4.7918 8.2187 128.2363 59.3791 40.6077 174.0210 117 I 4.7168 8.2232 127.3607 58.8888 40.0841 174.2358 118 L 4.7358 9.1913 132.9942 55.2956 43.4994 175.1452 119 C 5.0256 9.5251 124.4358 58.1210 31.1413 173.5999 120 G 3.3837 8.9143 113.4633 44.8017 0.0000 172.3816 121 N 5.0872 8.4569 126.6452 51.7636 41.4659 174.1673 122 K 4.2227 8.7261 116.7819 56.9697 29.1389 178.1206 123 K 4.1348 8.1001 118.9927 58.7718 32.5445 177.6138 124 D 4.3986 7.9909 119.3323 55.2520 40.3189 176.4889 125 L 4.5280 7.5984 122.6329 54.0137 41.5450 177.6326 126 D 4.3074 7.9101 120.0457 57.1295 41.9620 177.6050 127 A 4.0085 8.0817 121.0498 55.0042 18.4532 177.5283 128 D 4.6837 8.0617 113.6693 53.9368 41.2355 176.3070 129 R 4.2223 7.6618 120.7241 57.1532 30.1819 175.9057 130 E 4.5865 9.5417 123.7827 55.7849 31.2736 175.9848 131 V 4.2603 7.5147 118.5529 60.3121 34.1399 175.5574 132 T 4.2631 9.1981 118.6652 61.1005 70.8912 175.2953 133 F 4.3896 8.9165 124.8129 61.9003 39.5217 177.6033 134 L 4.0919 8.1662 118.2205 57.6972 41.4814 179.1764 135 E 3.9732 8.1359 117.0700 59.2511 29.5616 179.1045 136 A 3.8877 7.6460 121.2624 54.8187 18.2706 179.6934 137 S 3.6416 7.8030 114.0772 61.4505 62.8197 176.9372 138 R 3.7925 7.7514 121.1471 59.4366 29.7765 178.2062 139 F 3.9591 8.2578 120.2004 61.1731 39.2216 176.9300 140 A 3.9154 8.2097 122.7638 55.8336 17.7871 180.0170 141 Q 3.9244 8.1636 119.5230 60.7447 27.9216 180.9454 142 E 4.2407 8.0552 119.1758 58.0626 29.4432 178.1903 143 N 4.5668 7.0194 114.1808 51.5577 39.8262 174.4688 144 E 3.7172 7.5705 117.0510 57.9186 27.3953 174.3737 145 L 4.9468 7.9092 117.1051 53.0264 44.9230 178.3227 146 M 4.4785 8.4711 121.8889 55.6837 33.6784 175.2209 147 F 5.5537 8.2953 121.3371 57.5152 42.5460 173.2404 148 L 4.3833 8.6093 125.0937 52.9174 46.3089 175.1014 149 E 4.6928 8.3502 122.1137 55.8088 30.6120 175.7428 150 T 4.8499 8.8284 113.7260 59.8744 73.1032 172.9055 151 S 4.6615 8.8487 115.9401 56.4875 64.6299 174.6401 152 A 4.0991 8.6053 131.2163 54.8613 18.6448 178.5861 153 L 2.7966 7.6165 117.3636 57.8259 42.1294 177.9599 154 T 4.0412 7.5764 106.4760 61.9271 69.4164 175.8519 155 G 3.9035 8.5681 111.1780 44.7759 0.0000 172.6735 156 E 3.9188 7.8812 121.5537 57.5116 29.9784 176.8966 157 D 4.6768 8.9546 123.8910 55.2938 38.6113 175.8760 158 V 3.5787 7.5866 119.8080 66.0573 31.5008 177.4554 159 E 4.1767 8.3402 118.4852 59.6459 29.4033 178.4781 160 E 3.9534 8.3237 117.6888 59.2841 29.6244 179.0093 161 A 3.8499 8.0421 120.6548 55.1878 18.4556 179.7369 162 F 3.9941 7.5344 114.9071 60.5914 38.8944 177.9836 163 V 3.6995 8.1386 118.1074 66.3969 31.4760 178.0694 164 Q 4.0624 8.4462 117.9959 58.9415 28.6042 178.4728 165 C 4.0005 8.0688 119.1251 62.3426 31.6392 175.4310 166 A 4.4368 8.3620 122.3487 55.3947 18.0175 179.1921 167 R 3.8565 8.4369 117.7174 59.9115 29.8270 178.5573 168 K 4.1818 7.6848 118.6147 58.7293 32.2101 178.5482 169 I 3.7055 7.3584 119.0559 64.3020 37.0780 178.0754 170 L 4.1897 7.7265 118.1188 56.0896 41.7690 177.3652 171 N 4.8842 8.1477 119.3141 51.6684 41.2258 175.4792 172 K 4.1825 8.7052 123.7234 54.7937 31.8691 173.1773 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 4 T 8.16 4.28 4.12 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 1.38 0.00 0.00 5 Y 6.91 4.95 0.00 3.09 2.85 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 6 D 10.00 4.59 0.00 2.65 2.48 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 7 F 8.15 4.98 0.00 2.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.70 4.98 0.00 1.64 1.66 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.77 5.39 0.00 2.77 3.04 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 10 K 9.05 4.92 0.00 2.13 2.09 0.00 1.94 0.00 0.00 2.15 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.92 2.07 7.81 11 F 9.84 5.83 0.00 2.99 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 12 L 8.73 5.34 0.00 1.47 1.48 0.54 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.75 4.74 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 0.94 0.00 0.00 1.03 0.00 0.00 14 I 8.92 4.76 1.46 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.20 0.74 0.00 0.00 15 G 6.79 3.67 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 0.00 0.00 0.00 16 N 8.29 4.70 0.00 3.01 2.93 0.00 0.00 6.66 7.53 0.00 0.00 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 A 8.63 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 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 0.00 0.00 0.00 19 T 7.49 3.94 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 1.30 0.00 0.00 20 G 7.68 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 0.00 0.00 0.00 0.00 21 K 8.44 3.93 0.00 1.80 1.96 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 22 S 7.90 4.49 0.00 3.85 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 23 C 8.09 4.18 0.00 3.23 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 24 L 8.26 4.10 0.00 1.97 1.85 0.86 0.42 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 25 L 8.06 4.09 0.00 1.87 1.87 0.87 1.05 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 26 H 8.61 4.07 0.00 3.34 3.34 0.00 5.87 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 27 Q 8.59 4.23 0.00 2.45 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 28 F 8.32 4.36 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 29 I 7.39 3.54 1.64 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.23 0.67 0.00 0.00 30 E 8.23 4.30 0.00 2.06 1.95 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 2.19 2.15 0.00 31 K 8.09 4.02 0.00 1.88 1.88 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.29 7.81 32 K 7.55 4.68 0.00 1.62 1.59 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 0.99 7.81 33 F 8.74 4.79 0.00 3.03 3.04 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 34 K 8.37 3.68 0.00 1.53 1.34 0.00 1.20 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.15 7.81 35 D 8.60 4.13 0.00 2.76 2.70 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 36 D 7.65 4.51 0.00 2.58 2.58 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 37 S 8.20 4.69 0.00 3.64 3.60 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 38 N 8.49 5.00 0.00 2.72 2.50 0.00 0.00 6.59 7.90 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 *39 H 8.82 4.00 0.00 2.92 2.95 0.00 7.18 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 40 T 8.48 3.97 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 1.11 0.00 0.00 41 I 9.34 4.16 1.84 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 1.50 0.84 0.98 0.00 0.00 42 G 6.72 3.51 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 0.00 0.00 0.00 43 V 8.29 4.66 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 0.49 0.00 0.00 0.81 0.00 0.00 44 E 9.34 4.52 0.00 2.12 1.85 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 2.34 2.26 0.00 45 F 8.70 4.95 0.00 2.67 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 46 G 7.45 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 0.00 0.00 0.00 0.00 47 S 7.90 4.85 0.00 3.60 3.51 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 48 K 8.43 4.38 0.00 1.37 1.11 0.00 0.79 0.00 0.00 0.61 0.00 0.00 2.16 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.93 1.04 7.81 49 I 8.18 4.91 1.85 0.00 0.00 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 1.31 0.60 1.04 0.00 0.00 50 I 8.67 4.61 1.94 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 1.22 1.33 1.08 0.00 0.00 51 N 8.71 4.93 0.00 2.64 2.69 0.00 0.00 6.79 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 52 V 8.92 4.42 2.10 0.00 0.00 0.00 0.00 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94 E 8.29 4.07 0.00 2.01 1.95 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 2.32 1.94 0.00 95 T 7.84 4.25 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 1.32 0.00 0.00 96 Y 8.02 3.89 0.00 2.76 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 97 N 8.41 4.14 0.00 2.86 2.82 0.00 0.00 7.05 6.99 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 98 A 7.79 4.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 4.16 0.00 1.12 1.63 0.16 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.79 4.02 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 1.23 0.00 0.00 101 N 8.05 4.29 0.00 2.63 2.65 0.00 0.00 7.12 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 0.00 102 W 7.95 4.35 0.00 3.63 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 0.00 103 L 8.49 4.04 0.00 1.99 2.01 0.93 0.82 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 0.00 104 T 8.22 3.86 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 1.22 0.00 0.00 105 D 8.18 4.40 0.00 3.03 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 0.00 106 A 8.50 4.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.05 0.00 1.95 2.20 0.00 3.16 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 108 M 8.01 4.18 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 109 L 8.29 4.28 0.00 2.00 1.81 0.74 1.08 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 0.00 110 A 7.88 4.74 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 119 C 9.53 5.03 0.00 2.71 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 0.00 120 G 8.91 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 0.00 0.00 0.00 121 N 8.46 5.09 0.00 2.71 2.79 0.00 0.00 7.07 7.95 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 0.00 122 K 8.73 4.22 0.00 2.00 1.86 0.00 2.32 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.35 7.81 123 K 8.10 4.13 0.00 1.84 1.96 0.00 1.56 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.33 7.81 124 D 7.99 4.40 0.00 2.76 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 0.00 125 L 7.60 4.53 0.00 1.80 1.82 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.91 4.31 0.00 2.87 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 0.00 127 A 8.08 4.01 1.29 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 0.00 128 D 8.06 4.68 0.00 2.87 2.70 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 0.00 129 R 7.66 4.22 0.00 1.88 1.93 0.00 3.22 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 130 E 9.54 4.59 0.00 1.91 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 2.23 2.45 0.00 131 V 7.51 4.26 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 -0.25 0.00 0.00 0.69 0.00 0.00 132 T 9.20 4.26 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 1.25 0.00 0.00 133 F 8.92 4.39 0.00 3.28 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 0.00 134 L 8.17 4.09 0.00 1.81 1.76 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.14 3.97 0.00 2.21 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 2.33 1.99 0.00 136 A 7.65 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.80 3.64 0.00 3.81 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 0.00 138 R 7.75 3.79 0.00 2.05 2.10 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 139 F 8.26 3.96 0.00 3.13 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 0.00 140 A 8.21 3.92 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 0.00 141 Q 8.16 3.92 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 142 E 8.06 4.24 0.00 1.83 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 2.27 2.39 0.00 143 N 7.02 4.57 0.00 2.14 2.48 0.00 0.00 7.04 7.51 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 0.00 144 E 7.57 3.72 0.00 2.07 1.95 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 2.20 2.19 0.00 145 L 7.91 4.95 0.00 1.46 1.56 0.97 0.71 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 0.00 146 M 8.47 4.48 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 147 F 8.30 5.55 0.00 2.91 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 0.00 148 L 8.61 4.38 0.00 1.38 1.27 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.35 4.69 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 150 T 8.83 4.85 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 1.09 0.00 0.00 151 S 8.85 4.66 0.00 3.77 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 0.00 152 A 8.61 4.10 1.48 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 0.00 153 L 7.62 2.80 0.00 0.56 1.23 0.61 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.58 4.04 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 1.11 0.00 0.00 155 G 8.57 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 0.00 156 E 7.88 3.92 0.00 2.01 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 2.26 2.25 0.00 157 D 8.95 4.68 0.00 2.95 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 0.00 158 V 7.59 3.58 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 1.23 0.00 0.00 1.06 0.00 0.00 159 E 8.34 4.18 0.00 2.29 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 2.51 2.67 0.00 160 E 8.32 3.95 0.00 2.15 1.98 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 2.40 2.47 0.00 161 A 8.04 3.85 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 0.00 0.00 0.00 0.00 0.00 162 F 7.53 3.99 0.00 2.63 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 0.00 163 V 8.14 3.70 2.15 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 1.12 0.00 0.00 1.10 0.00 0.00 164 Q 8.45 4.06 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 165 C 8.07 4.00 0.00 2.96 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 0.00 166 A 8.36 4.44 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.44 3.86 0.00 2.04 2.17 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 168 K 7.68 4.18 0.00 1.90 1.78 0.00 1.74 0.00 0.00 1.54 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.34 7.81 169 I 7.36 3.71 1.68 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 1.24 0.56 0.08 0.00 0.00 170 L 7.73 4.19 0.00 1.77 1.65 0.79 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.15 4.88 0.00 2.69 2.68 0.00 0.00 7.22 7.32 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 0.00 172 K 8.71 4.18 0.00 1.78 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.