NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8967 8.3881 118.1522 55.4893 33.6231 173.3474 2 I 4.8280 8.8274 112.1340 58.8907 41.6135 172.5885 3 I 5.0524 8.9114 123.6879 59.5808 41.0273 176.1813 4 V 4.9842 9.0254 124.9390 61.3345 34.8357 173.4045 5 Y 5.3401 9.3477 128.9588 56.2891 41.4871 174.2026 6 T 5.3965 8.1665 119.2207 60.8996 71.7427 171.8878 7 T 4.9376 7.8465 112.8407 59.8431 72.1249 172.9902 8 F 4.5955 8.7229 120.3800 54.8673 42.9204 174.5325 9 P 4.2308 0.0000 0.0000 64.5643 31.6854 175.2996 10 D 4.4897 7.2534 117.0784 51.1166 41.9897 176.0930 11 W 4.0398 8.6780 118.5441 59.5129 28.9272 178.0840 12 E 3.9370 8.3774 119.1936 59.5849 28.9491 178.9862 13 S 3.9578 8.7522 114.0360 61.2198 63.0593 176.0163 14 A 2.0000 7.2015 124.1560 54.3625 17.9956 179.5797 15 E 3.8745 8.3191 117.2694 59.1410 29.4102 179.4553 16 K 3.8330 7.9853 119.7855 59.4535 32.2455 179.1011 17 V 3.4993 7.8226 118.7703 66.0227 31.4450 178.1409 18 V 3.6057 7.6094 117.9824 66.0542 31.2731 178.1755 19 K 4.0001 8.4867 118.5852 59.5524 31.8266 179.5945 20 T 3.9084 7.6555 116.0776 66.5147 68.3188 176.8707 21 L 4.0412 8.1140 121.0199 57.6186 41.5290 179.5986 22 L 3.9647 8.1844 119.1627 57.7097 41.3966 179.3323 23 K 3.9036 8.1228 118.5648 59.4269 32.2002 177.7169 24 E 4.2689 8.0747 115.4322 55.3643 30.1283 176.3760 25 R 3.8382 8.1211 118.2226 57.2548 28.2955 177.8192 26 L 4.2870 8.2638 117.7457 55.8810 42.4061 177.2626 27 I 4.6560 7.2862 109.8730 59.2986 40.4552 174.4833 28 A 4.2303 8.5864 122.0984 52.6515 19.6018 177.2161 *30 A 4.4860 7.8105 116.1377 51.7660 20.1859 175.7916 31 N 5.0878 9.1853 117.9252 51.4742 41.6152 173.5291 32 L 5.4518 8.7424 123.8251 52.9369 44.3679 176.1199 33 R 4.9531 8.6519 118.6576 54.9731 33.0669 174.6049 34 E 4.7581 8.9844 120.9559 57.0909 30.9607 174.9153 35 H 4.8234 8.6461 115.8093 55.3780 32.6994 172.3392 36 R 4.9991 8.7341 117.2761 54.4691 31.7846 175.7998 37 A 4.7886 9.1317 126.7905 50.8675 21.0701 175.8001 38 F 5.4516 8.8821 118.9063 54.9000 42.3191 173.8513 39 Y 4.7690 7.7446 119.5713 55.9746 41.1323 172.9814 40 W 4.8175 9.0972 120.3150 56.1858 30.1046 176.4612 41 W 4.9086 9.6027 134.9644 57.1191 33.0445 174.3653 42 E 3.4576 9.1302 126.8873 57.6993 26.0373 175.2856 43 G 4.0314 8.6277 102.6762 45.9124 0.0000 173.3819 44 K 4.7951 7.9533 119.5976 54.2910 35.5134 175.0906 45 I 3.9183 7.8790 124.3359 60.7604 37.6446 174.9348 46 E 4.5285 8.6816 128.6200 54.1810 32.4325 173.8879 47 E 4.4716 8.2958 125.2082 54.2072 32.0610 174.5608 48 D 4.6245 8.6151 125.9031 52.2682 45.0324 174.1373 49 K 4.5672 8.6492 127.4430 56.7233 33.2100 175.3957 50 E 4.7576 9.0634 125.2227 54.9667 35.2341 174.2239 51 V 4.0060 8.3801 120.6643 61.0168 33.2794 174.9562 52 G 4.2918 8.9210 116.4875 45.8358 0.0000 171.4535 53 A 5.3680 8.6924 123.9509 50.0119 22.5876 174.9444 54 I 4.8491 9.0754 124.3613 59.9245 39.1744 174.8000 55 L 5.0897 9.3986 127.9372 52.9233 44.5163 175.7823 56 K 5.1176 8.5181 121.2368 55.2677 35.3749 175.2730 57 T 4.7892 8.5051 118.6243 61.7547 71.1937 172.4944 58 R 4.7099 8.4908 119.6877 55.2934 31.1986 177.6052 59 E 4.0639 8.7815 120.3244 59.6355 29.2894 179.3516 60 D 4.5432 8.1297 117.2954 55.5268 39.8027 177.3169 61 L 4.4425 7.6862 119.3658 54.4666 41.9438 177.7919 62 W 4.6034 8.1804 130.1138 60.9431 30.6167 177.3855 63 E 3.4309 8.1876 117.4788 59.3588 28.9874 179.0153 64 E 3.8411 8.0004 118.5723 59.0743 29.6970 178.3799 65 L 3.8878 8.1349 120.7254 57.9062 42.2212 178.7114 66 K 3.5039 7.9109 119.8091 59.5524 32.0609 178.5613 67 E 3.8574 7.9158 118.6633 59.3259 29.4638 179.3651 68 R 3.8755 8.0560 118.7821 59.4714 30.1544 178.6580 69 I 3.7817 8.0033 119.8786 64.1943 36.8238 178.5344 70 K 3.9690 7.7100 118.4379 59.6483 31.9929 179.0197 71 E 4.0991 7.9985 117.3198 58.7245 29.3911 178.5085 72 L 4.4404 7.4648 116.9843 54.8463 42.9241 176.8366 73 H 4.2070 8.1939 119.5316 55.4539 30.2241 173.5910 74 P 4.4206 0.0000 0.0000 65.5619 31.7189 176.5959 75 Y 4.7170 7.8115 116.3439 57.6648 38.6198 176.2112 76 D 4.5516 8.8037 122.7825 56.7770 41.5596 177.2012 77 V 4.3789 7.2906 117.1487 60.1702 31.2560 172.7328 78 P 4.3160 0.0000 0.0000 61.9324 32.8521 176.3104 79 A 4.4312 8.1751 121.3413 51.1468 20.4357 176.2944 80 I 4.6092 8.4738 123.6050 59.4624 38.7949 173.5334 81 I 4.4627 9.0079 127.4784 59.5510 39.1845 174.3162 82 R 4.6618 8.3588 127.5016 54.5689 31.5515 175.1860 83 I 4.4673 8.5524 126.8440 59.3013 40.5596 174.6333 84 D 4.6554 8.6532 127.6329 54.1907 41.5946 176.2022 85 V 3.8807 8.2269 123.7731 62.3024 31.5066 175.8437 86 D 4.4655 8.8911 128.6105 57.3334 41.0737 175.7328 87 D 4.6122 7.4282 114.8586 53.7414 43.9489 174.0242 88 V 4.3209 7.7365 119.8865 59.1405 33.7633 173.1044 89 N 4.4411 8.4368 119.7590 53.3549 38.6148 175.8519 90 E 4.2714 8.8830 123.7981 58.3231 29.8013 178.6683 91 D 4.5134 8.0973 119.6055 56.1775 39.7672 177.8629 92 Y 4.0707 8.0291 120.6682 60.4654 38.8832 177.1776 93 L 4.1594 8.1746 120.9472 57.8795 42.1255 178.8902 94 K 3.9220 8.0739 119.2901 59.1584 32.1883 178.4434 95 W 4.0798 8.0143 128.1226 60.4157 30.3720 177.5095 96 L 2.9692 7.9234 118.9847 58.0098 41.6651 178.6831 97 I 3.7643 7.8625 119.8398 64.4946 36.8174 178.3755 98 E 3.9386 7.9901 118.2592 58.9060 29.3438 178.3671 99 E 4.0670 7.4831 116.3666 56.1279 30.1120 176.1404 100 T 4.7912 6.5597 109.8048 59.1148 71.0201 174.8129 101 K 4.0550 8.4699 123.2422 56.9078 33.3182 176.7827 102 K 4.1047 8.6436 119.6457 57.6065 31.8913 176.4428 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 8.39 4.90 0.00 2.21 2.51 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 2 I 8.83 4.83 1.76 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 1.40 0.89 0.88 0.00 0.00 3 I 8.91 5.05 1.99 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 1.18 0.82 0.98 0.00 0.00 4 V 9.03 4.98 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 1.27 0.00 0.00 1.21 0.00 0.00 5 Y 9.35 5.34 0.00 2.95 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 6 T 8.17 5.40 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 1.03 0.00 0.00 7 T 7.85 4.94 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 1.01 0.00 0.00 8 F 8.72 4.60 0.00 2.74 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 9 P 0.00 4.23 0.00 2.15 2.20 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 10 D 7.25 4.49 0.00 2.90 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 11 W 8.68 4.04 0.00 3.38 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 12 E 8.38 3.94 0.00 2.05 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 0.00 2.36 2.38 0.00 13 S 8.75 3.96 0.00 3.97 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 A 7.20 2.00 0.89 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 0.00 0.00 15 E 8.32 3.87 0.00 2.00 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 2.47 2.71 0.00 16 K 7.99 3.83 0.00 1.85 1.89 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 17 V 7.82 3.50 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 1.08 0.00 0.00 0.97 0.00 0.00 18 V 7.61 3.61 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 1.09 0.00 0.00 0.93 0.00 0.00 19 K 8.49 4.00 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 20 T 7.66 3.91 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 1.20 0.00 0.00 21 L 8.11 4.04 0.00 1.87 1.74 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.18 3.96 0.00 1.88 1.73 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.12 3.90 0.00 1.83 1.99 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 24 E 8.07 4.27 0.00 1.99 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 2.31 2.44 0.00 25 R 8.12 3.84 0.00 1.95 1.99 0.00 3.08 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 26 L 8.26 4.29 0.00 1.61 1.73 0.91 0.59 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 27 I 7.29 4.66 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.98 0.00 0.00 28 A 8.59 4.23 0.73 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 0.00 0.00 *30 A 7.81 4.49 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 31 N 9.19 5.09 0.00 2.74 2.80 0.00 0.00 6.83 7.59 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 32 L 8.74 5.45 0.00 1.76 1.58 0.99 1.00 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 33 R 8.65 4.95 0.00 1.96 2.10 0.00 3.05 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 34 E 8.98 4.76 0.00 1.98 2.00 0.00 0.00 0.00 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 2.68 0.00 35 H 8.65 4.82 0.00 3.26 3.46 0.00 5.23 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.73 5.00 0.00 1.89 1.76 0.00 3.34 0.00 0.00 3.47 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 37 A 9.13 4.79 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.88 5.45 0.00 2.84 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 39 Y 7.74 4.77 0.00 3.12 3.06 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 40 W 9.10 4.82 0.00 3.31 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 41 W 9.60 4.91 0.00 3.22 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 42 E 9.13 3.46 0.00 2.23 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 1.96 1.61 0.00 43 G 8.63 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 44 K 7.95 4.80 0.00 1.79 1.67 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.37 7.81 45 I 7.88 3.92 1.53 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.70 0.00 0.00 46 E 8.68 4.53 0.00 1.86 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 1.83 2.00 0.00 47 E 8.30 4.47 0.00 1.57 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.47 0.00 48 D 8.62 4.62 0.00 2.62 2.45 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 49 K 8.65 4.57 0.00 1.78 1.67 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 50 E 9.06 4.76 0.00 1.66 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 2.29 2.42 0.00 51 V 8.38 4.01 1.65 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 -0.17 0.00 0.00 -0.28 0.00 0.00 52 G 8.92 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 53 A 8.69 5.37 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 54 I 9.08 4.85 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.03 1.02 0.00 0.00 55 L 9.40 5.09 0.00 1.66 1.66 1.04 0.91 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 56 K 8.52 5.12 0.00 1.90 1.92 0.00 2.01 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.55 7.81 57 T 8.51 4.79 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 1.33 0.00 0.00 58 R 8.49 4.71 0.00 1.97 1.94 0.00 3.18 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 59 E 8.78 4.06 0.00 2.08 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 2.39 2.42 0.00 60 D 8.13 4.54 0.00 2.86 2.84 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 0.00 0.00 0.00 61 L 7.69 4.44 0.00 1.87 1.77 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 W 8.18 4.60 0.00 3.41 3.20 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 63 E 8.19 3.43 0.00 1.96 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 2.46 2.33 0.00 64 E 8.00 3.84 0.00 2.00 1.91 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 2.34 2.33 0.00 65 L 8.13 3.89 0.00 1.85 1.91 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.91 3.50 0.00 0.79 1.24 0.00 1.51 0.00 0.00 0.94 0.00 0.00 2.40 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.11 1.07 7.81 67 E 7.92 3.86 0.00 2.06 1.91 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 2.34 2.37 0.00 68 R 8.06 3.88 0.00 2.02 2.04 0.00 3.28 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 69 I 8.00 3.78 1.99 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 1.57 0.56 0.95 0.00 0.00 70 K 7.71 3.97 0.00 1.92 1.85 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.62 7.81 71 E 8.00 4.10 0.00 2.08 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 2.33 2.65 0.00 72 L 7.46 4.44 0.00 1.68 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.19 4.21 0.00 3.33 3.19 0.00 5.75 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 74 P 0.00 4.42 0.00 2.12 2.13 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 75 Y 7.81 4.72 0.00 2.85 2.66 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 76 D 8.80 4.55 0.00 2.74 2.77 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 77 V 7.29 4.38 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 0.84 0.00 0.00 0.94 0.00 0.00 78 P 0.00 4.32 0.00 1.81 1.52 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 79 A 8.18 4.43 1.23 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 0.00 0.00 80 I 8.47 4.61 1.97 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 1.33 0.70 1.05 0.00 0.00 81 I 9.01 4.46 2.14 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.69 0.94 0.00 0.00 82 R 8.36 4.66 0.00 0.67 0.74 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 83 I 8.55 4.47 1.82 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 1.16 0.62 0.86 0.00 0.00 84 D 8.65 4.66 0.00 2.48 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 85 V 8.23 3.88 2.24 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 0.76 0.00 0.00 0.95 0.00 0.00 86 D 8.89 4.47 0.00 2.69 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 87 D 7.43 4.61 0.00 2.59 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 88 V 7.74 4.32 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 0.80 0.00 0.00 0.88 0.00 0.00 89 N 8.44 4.44 0.00 3.13 3.02 0.00 0.00 6.01 7.66 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 90 E 8.88 4.27 0.00 2.08 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 0.00 2.44 2.40 0.00 91 D 8.10 4.51 0.00 2.93 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 92 Y 8.03 4.07 0.00 3.08 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 93 L 8.17 4.16 0.00 1.99 1.77 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.07 3.92 0.00 2.09 2.05 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.54 7.81 95 W 8.01 4.08 0.00 3.37 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 96 L 7.92 2.97 0.00 1.63 1.81 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.86 3.76 1.96 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 1.51 1.33 0.88 0.00 0.00 98 E 7.99 3.94 0.00 1.94 1.93 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 2.49 2.48 0.00 99 E 7.48 4.07 0.00 1.23 1.60 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 1.49 1.58 0.00 100 T 6.56 4.79 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 1.08 0.00 0.00 101 K 8.47 4.05 0.00 1.76 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.40 7.81 102 K 8.64 4.10 0.00 1.75 1.85 0.00 1.48 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.