NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *10 C 4.5899 8.3293 117.6247 56.7018 30.2291 174.2284 11 P 4.4948 0.0000 0.0000 64.8779 32.4395 174.1973 12 L 5.1103 7.7791 122.0501 53.5742 45.2588 176.1814 13 M 4.9156 9.1488 125.3370 53.7120 36.2571 173.7567 14 V 4.8443 8.3258 124.3137 60.9109 34.9441 174.0409 15 K 5.0080 8.9854 128.0931 54.5863 35.6258 174.8140 16 V 4.8051 8.8233 126.3819 61.0769 34.7871 174.0527 17 L 4.9400 8.8917 127.0955 52.9021 45.7711 175.0423 18 D 5.0848 9.1040 122.3733 52.9375 41.9851 176.6434 19 A 4.3289 9.3537 128.8075 53.6265 18.5102 178.5470 20 V 3.8968 8.8690 115.6429 65.0394 31.9002 177.1243 21 R 4.3301 8.4660 115.7460 55.3848 31.4520 175.7327 22 G 3.8369 8.3310 105.5521 45.8754 0.0000 172.5050 23 S 4.8611 7.3552 111.8766 55.6228 67.3967 172.9626 24 P 4.5670 0.0000 0.0000 63.0402 31.7471 175.8385 25 A 4.3828 8.7091 124.3995 51.1156 19.5675 176.3315 26 I 4.2612 8.3741 122.6572 61.0794 39.2172 175.6235 27 N 4.2156 8.5515 120.9304 54.3216 36.7212 174.3213 28 V 4.0230 7.8126 118.8555 62.0744 32.8193 175.1235 29 A 4.6229 8.6029 129.9506 51.9809 19.9670 176.1151 30 V 4.7551 8.8546 121.3691 61.4148 35.0861 173.8488 31 H 5.0015 9.3503 124.9906 53.8441 31.8616 172.9300 32 V 4.8428 8.8270 122.9170 61.1536 34.1690 174.3569 33 F 5.5443 9.3537 125.1598 55.7290 43.4317 173.7523 34 R 4.8890 9.3245 121.1001 54.0982 33.1434 174.5201 35 K 3.9110 8.8958 128.3055 56.3111 32.7560 176.6080 36 A 4.3790 8.8216 130.6664 50.2967 20.6059 177.6123 37 A 3.9864 8.6041 122.2497 55.7283 18.1486 178.7441 38 D 4.3900 8.0064 113.4138 54.4315 39.4803 177.1523 39 D 4.3954 8.2114 118.0730 53.7402 38.2791 178.5080 40 T 4.3947 7.8781 110.0613 61.0204 71.4946 174.3049 41 W 4.9495 8.5935 125.4346 56.9768 29.5690 176.2945 42 E 4.7657 9.3808 124.4764 54.5490 31.0980 170.8873 43 P 4.5715 0.0000 0.0000 62.7990 31.6017 175.1521 44 F 4.8370 8.8519 124.7873 59.4120 41.5199 174.6884 45 A 4.5396 7.7565 117.2468 51.5392 22.3094 174.6975 46 S 4.6635 7.7931 112.7636 57.7227 66.2531 173.6746 47 G 3.9875 7.8881 105.0360 46.3639 0.0000 172.0434 48 K 5.3207 8.5447 118.1251 54.3537 36.0124 176.9608 49 T 4.2189 8.6039 114.5747 61.9579 70.2526 174.8643 50 S 4.6898 8.7982 121.0815 57.8329 65.0954 175.1557 51 E 3.9781 8.6804 115.4405 58.6054 29.3491 173.6188 52 S 4.4339 7.8453 109.4044 58.6233 63.6944 175.2783 53 G 3.8717 8.4191 110.4690 44.9486 0.0000 172.5798 54 E 4.9916 7.6129 118.5321 54.3785 32.6337 175.0513 55 L 4.7851 8.9293 124.7852 53.9427 44.4431 175.0554 56 H 4.9137 8.8813 122.9219 54.7293 30.7230 175.1295 57 G 3.8939 8.7367 106.5300 46.0210 0.0000 175.5913 58 L 4.0135 7.7521 120.9381 57.7072 41.6815 176.4603 59 T 4.4010 6.9667 107.7815 61.4328 70.7728 171.6938 60 T 4.7428 8.1651 114.0922 59.7844 71.6900 175.2235 61 E 4.1395 9.1087 120.6694 59.9422 29.9697 180.0496 62 E 4.3000 8.3459 113.9789 59.0848 29.9086 180.5613 63 E 4.3141 8.1867 118.0843 58.4086 30.1637 177.7382 64 F 5.0999 7.9900 123.0958 57.1113 37.6636 174.6251 65 V 4.0264 7.5522 117.3284 59.8465 33.1339 175.7363 66 E 4.4713 8.0996 121.8094 55.7982 30.1112 176.3710 67 G 3.7503 7.8711 111.1096 46.7335 0.0000 170.3635 68 I 4.8182 7.1828 119.9839 59.8240 39.1937 174.9767 69 Y 5.1206 8.6502 124.5081 55.8770 41.7859 174.5221 70 K 4.8481 8.9833 123.1526 54.5724 35.3926 174.7916 71 V 4.7236 9.0583 128.0984 61.2991 33.6151 173.6635 72 E 4.9589 9.5034 130.1486 54.5933 31.7437 174.3197 73 I 4.4821 8.8267 128.4454 59.6497 39.2051 175.8857 74 D 4.8803 8.8510 130.2551 53.5491 38.0356 177.2030 75 T 3.9114 7.7500 114.0640 64.2373 69.3676 176.8017 76 K 4.1268 7.8054 121.2996 59.6363 32.4332 178.8952 77 S 4.1422 8.1710 114.9670 61.4951 62.5956 176.2037 78 F 4.0594 7.9250 122.7605 61.3476 39.1091 177.3482 79 W 4.1185 8.3083 118.4162 59.6548 28.7527 178.8152 80 K 4.3567 8.8177 119.9357 58.8408 31.2899 179.2018 81 A 4.0115 7.7882 119.5516 54.1439 18.2725 178.5211 82 L 4.4628 7.0324 115.3237 54.0816 41.9930 177.2548 83 G 3.9279 8.1249 107.1323 45.7242 0.0000 173.3814 84 I 4.3586 7.9014 120.4454 59.3092 39.0014 175.4011 85 S 4.7550 8.4912 121.5139 56.5977 62.0754 172.2423 86 P 4.4216 0.0000 0.0000 61.2137 32.9651 176.4853 87 F 3.8843 8.2213 120.5898 61.0975 39.2763 175.6683 88 H 4.4840 7.8036 115.6314 55.0734 29.9706 175.4336 89 E 4.0590 8.6281 122.0673 59.6190 29.6095 176.0979 90 H 5.0890 7.6295 110.4119 55.9181 31.6311 172.4520 91 A 4.3821 8.8014 122.6545 50.6200 20.9778 176.0555 92 E 5.0792 8.8744 120.2576 54.6068 33.0535 172.6154 93 V 4.4556 8.9758 124.0832 60.3863 34.4974 174.2091 94 V 5.1656 8.5956 127.9977 61.1235 33.7372 174.4638 95 F 5.1092 8.7398 121.2064 56.0038 41.5617 173.3261 96 T 4.7134 8.7292 117.6794 63.3351 69.4334 173.8979 97 A 4.6825 8.8230 127.6982 50.6299 22.4002 175.9309 98 N 5.1522 9.6450 116.2239 53.9462 36.6135 175.8594 99 D 4.6958 8.3350 119.4745 55.4777 39.8699 176.8069 100 S 4.6206 8.2744 115.5671 58.0249 63.8374 174.3989 101 G 3.9950 8.2402 105.5574 44.0029 0.0000 171.8174 102 P 4.7685 0.0000 0.0000 63.0790 31.6695 176.1384 103 R 4.7496 8.6048 119.7349 54.6853 34.8231 174.3821 104 R 4.8808 8.7186 119.4298 54.8745 32.5990 175.1596 105 Y 5.0012 9.2092 121.4620 56.4325 41.2556 174.6057 106 T 4.9546 8.9624 121.1820 61.8558 71.4003 173.2138 107 I 4.6928 8.7296 127.8534 59.6371 39.2730 174.5521 108 A 5.2574 8.8914 129.0598 50.0309 22.0971 174.9250 109 A 5.1729 8.8308 121.7798 50.0614 22.9195 174.6857 110 L 4.9838 9.0961 124.8189 53.3009 44.4891 174.9144 111 L 5.3979 9.0379 126.7841 53.3374 44.3862 175.8599 112 S 5.3311 9.4474 118.6511 56.0519 67.1070 173.4088 113 P 3.1481 0.0000 0.0000 65.1825 31.0775 177.8326 114 Y 4.6194 7.7344 111.9854 57.2396 38.5581 174.9100 115 S 4.7424 8.0141 113.2147 57.7534 65.6803 172.7401 116 Y 5.5916 7.7538 122.0854 55.9320 40.9093 173.7648 117 S 4.9316 9.1253 114.3963 56.9773 66.5348 172.8072 118 T 5.1946 8.4258 114.7855 61.0556 70.5439 172.4632 119 T 4.8603 8.8998 120.5200 60.4825 71.7003 171.9801 120 A 5.0975 8.5098 125.9771 50.0248 22.0067 175.4533 121 V 4.2611 8.7081 122.2887 61.0259 33.8625 174.5445 122 V 4.6984 8.3911 127.6363 61.2454 33.6316 174.4346 123 T 4.6554 8.6070 117.5337 59.7785 72.5509 173.8731 124 N 4.4411 8.5295 119.5282 53.7728 39.0724 174.5868 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 *10 C 8.33 4.59 0.00 2.75 2.89 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 11 P 0.00 4.49 0.00 2.48 2.51 0.00 3.68 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 1.98 2.09 0.00 12 L 7.78 5.11 0.00 0.87 1.13 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.15 4.92 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 14 V 8.33 4.84 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 0.77 0.00 0.00 0.87 0.00 0.00 15 K 8.99 5.01 0.00 1.75 1.52 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.29 7.81 16 V 8.82 4.81 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 0.71 0.00 0.00 0.78 0.00 0.00 17 L 8.89 4.94 0.00 1.57 1.50 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.10 5.08 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 9.35 4.33 1.45 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 20 V 8.87 3.90 2.64 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 0.93 0.00 0.00 1.08 0.00 0.00 21 R 8.47 4.33 0.00 2.04 2.02 0.00 3.44 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 22 G 8.33 3.84 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 0.00 0.00 0.00 23 S 7.36 4.86 0.00 3.88 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 24 P 0.00 4.57 0.00 2.11 2.20 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 25 A 8.71 4.38 0.50 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 26 I 8.37 4.26 1.90 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 1.58 0.81 0.92 0.00 0.00 27 N 8.55 4.22 0.00 2.89 2.93 0.00 0.00 6.90 7.07 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 28 V 7.81 4.02 1.90 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 0.74 0.00 0.00 0.56 0.00 0.00 29 A 8.60 4.62 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 30 V 8.85 4.76 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 0.91 0.00 0.00 0.85 0.00 0.00 31 H 9.35 5.00 0.00 3.04 2.72 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.83 4.84 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 1.20 0.00 0.00 0.93 0.00 0.00 33 F 9.35 5.54 0.00 2.77 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 34 R 9.32 4.89 0.00 1.45 1.73 0.00 2.86 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 35 K 8.90 3.91 0.00 1.13 1.27 0.00 1.14 0.00 0.00 1.28 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.88 0.21 7.81 36 A 8.82 4.38 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 37 A 8.60 3.99 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 0.00 0.00 38 D 8.01 4.39 0.00 2.73 2.74 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 0.00 0.00 0.00 39 D 8.21 4.40 0.00 2.88 2.75 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 40 T 7.88 4.39 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 1.20 0.00 0.00 41 W 8.59 4.95 0.00 3.04 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 42 E 9.38 4.77 0.00 1.64 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 43 P 0.00 4.57 0.00 1.99 2.05 0.00 3.73 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 2.15 2.35 0.00 44 F 8.85 4.84 0.00 3.07 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.54 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 46 S 7.79 4.66 0.00 3.62 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.89 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 48 K 8.54 5.32 0.00 1.55 1.63 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.36 7.81 49 T 8.60 4.22 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 1.12 0.00 0.00 50 S 8.80 4.69 0.00 4.01 4.07 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 51 E 8.68 3.98 0.00 2.01 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 1.87 0.00 52 S 7.85 4.43 0.00 3.99 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 53 G 8.42 3.87 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 0.00 0.00 0.00 54 E 7.61 4.99 0.00 1.98 1.72 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 2.19 2.36 0.00 55 L 8.93 4.79 0.00 1.59 1.53 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.88 4.91 0.00 3.02 3.16 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.74 3.89 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 0.00 58 L 7.75 4.01 0.00 1.55 1.69 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 T 6.97 4.40 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 0.88 0.00 0.00 60 T 8.17 4.74 4.28 0.00 0.00 0.00 0.00 0.00 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 61 E 9.11 4.14 0.00 2.01 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 2.23 1.89 0.00 62 E 8.35 4.30 0.00 1.98 1.89 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 2.23 1.90 0.00 63 E 8.19 4.31 0.00 2.31 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 0.00 2.34 2.11 0.00 64 F 7.99 5.10 0.00 3.11 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 65 V 7.55 4.03 2.12 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 0.88 0.00 0.00 1.03 0.00 0.00 66 E 8.10 4.47 0.00 2.07 1.83 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 2.26 2.15 0.00 67 G 7.87 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 0.00 0.00 0.00 68 I 7.18 4.82 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 1.03 0.00 0.00 69 Y 8.65 5.12 0.00 1.88 2.52 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 70 K 8.98 4.85 0.00 0.79 0.74 0.00 0.74 0.00 0.00 1.13 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.99 7.81 71 V 9.06 4.72 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 0.97 0.00 0.00 1.12 0.00 0.00 72 E 9.50 4.96 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 73 I 8.83 4.48 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 0.75 0.00 0.00 74 D 8.85 4.88 0.00 2.79 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 75 T 7.75 3.91 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 1.07 0.00 0.00 76 K 7.81 4.13 0.00 2.26 1.94 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.53 7.81 77 S 8.17 4.14 0.00 3.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 4.06 0.00 2.94 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 79 W 8.31 4.12 0.00 3.59 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 80 K 8.82 4.36 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.57 7.81 81 A 7.79 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 82 L 7.03 4.46 0.00 2.16 1.70 0.92 0.90 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 83 G 8.12 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 84 I 7.90 4.36 2.16 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 1.26 0.83 0.67 0.00 0.00 85 S 8.49 4.75 0.00 3.89 3.87 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 86 P 0.00 4.42 0.00 2.18 1.85 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 87 F 8.22 3.88 0.00 1.60 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 H 7.80 4.48 0.00 3.30 3.46 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.63 4.06 0.00 1.74 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 2.25 2.13 0.00 90 H 7.63 5.09 0.00 3.24 3.23 0.00 5.09 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.80 4.38 0.40 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 0.00 0.00 0.00 92 E 8.87 5.08 0.00 1.73 1.70 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 2.12 1.83 0.00 93 V 8.98 4.46 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 0.99 0.00 0.00 0.97 0.00 0.00 94 V 8.60 5.17 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 1.17 0.00 0.00 0.92 0.00 0.00 95 F 8.74 5.11 0.00 3.18 3.11 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 96 T 8.73 4.71 4.32 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 1.23 0.00 0.00 97 A 8.82 4.68 0.65 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 98 N 9.65 5.15 0.00 2.72 2.89 0.00 0.00 6.99 7.72 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 99 D 8.33 4.70 0.00 3.06 2.82 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 0.00 100 S 8.27 4.62 0.00 3.87 3.89 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 0.00 101 G 8.24 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 0.00 102 P 0.00 4.77 0.00 2.09 2.08 0.00 3.65 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 2.06 2.15 0.00 103 R 8.60 4.75 0.00 1.12 1.43 0.00 3.19 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 104 R 8.72 4.88 0.00 1.74 1.81 0.00 3.17 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 105 Y 9.21 5.00 0.00 2.92 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 0.00 106 T 8.96 4.95 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 1.17 0.00 0.00 107 I 8.73 4.69 1.80 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.83 0.86 0.00 0.00 108 A 8.89 5.26 1.19 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 0.00 0.00 109 A 8.83 5.17 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 0.00 110 L 9.10 4.98 0.00 1.78 1.59 0.97 0.70 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 0.00 111 L 9.04 5.40 0.00 1.70 1.96 0.40 0.63 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 0.00 112 S 9.45 5.33 0.00 3.83 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 0.00 113 P 0.00 3.15 0.00 2.10 1.65 0.00 3.35 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.72 0.00 114 Y 7.73 4.62 0.00 2.81 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 0.00 115 S 8.01 4.74 0.00 3.87 3.72 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 0.00 116 Y 7.75 5.59 0.00 3.13 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 0.00 117 S 9.13 4.93 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 0.00 118 T 8.43 5.19 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 1.34 0.00 0.00 119 T 8.90 4.86 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 1.21 0.00 0.00 120 A 8.51 5.10 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 0.00 121 V 8.71 4.26 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 0.98 0.00 0.00 0.91 0.00 0.00 122 V 8.39 4.70 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 0.48 0.00 0.00 0.90 0.00 0.00 123 T 8.61 4.66 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 1.16 0.00 0.00 124 N 8.53 4.44 0.00 2.65 2.69 0.00 0.00 6.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.