NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5941 8.3649 120.5300 54.1593 42.0396 174.3393 2 I 4.0809 8.4125 125.6860 60.0582 38.2768 174.3512 3 Q 4.7857 10.5218 129.7564 54.1178 31.6545 170.8973 4 M 5.0941 8.6068 121.0547 53.5881 34.7439 175.2346 5 T 4.6177 9.1430 120.8265 61.9570 71.2239 173.1702 6 Q 5.2349 8.8448 125.9911 54.6786 30.5037 175.3710 7 S 4.9451 8.9461 117.1055 55.9041 66.9022 172.0219 8 P 4.8414 0.0000 0.0000 61.9656 32.7396 176.0840 9 A 4.2692 8.4787 120.3128 54.6747 19.2820 177.6652 10 S 5.1297 7.8658 108.5923 57.0886 67.2643 174.1324 11 L 4.5129 8.6806 124.1085 54.3032 45.2821 174.5015 12 S 5.0731 8.7773 122.4243 57.4922 64.7248 173.1984 13 A 4.6977 9.1458 124.4246 51.4788 23.4102 175.0463 14 S 5.0397 8.4647 114.4741 56.3776 66.3544 174.4640 15 V 3.9723 8.3536 121.5812 64.4979 31.9866 175.5145 16 G 4.0278 9.1472 115.6522 45.4695 0.0000 173.2952 17 E 4.6833 7.9659 120.2389 56.0507 31.2424 175.4453 18 T 5.0476 8.2590 112.1104 59.9285 71.2865 173.6142 19 V 4.5428 8.5029 116.4611 59.9903 36.5352 175.0846 20 T 5.0937 8.4830 118.0637 60.8734 71.2624 173.5602 21 I 4.3172 7.9914 120.4105 60.2208 40.0863 174.8784 22 T 5.2610 8.9544 120.0573 62.2012 72.7328 172.5392 23 C 5.3990 9.6655 126.4974 56.1680 44.4338 173.3357 24 R 5.4236 9.6895 127.5787 55.1550 31.9426 171.2548 25 A 5.1205 8.8023 125.4921 49.7633 20.5084 177.0453 26 S 4.2091 9.0477 118.2598 61.2778 63.0611 174.6718 27 E 4.5497 7.6914 117.7566 52.9859 32.0273 174.9386 28 N 4.6603 8.2570 118.4845 53.9888 39.5460 174.2979 29 I 4.2374 8.5759 118.0711 61.5795 40.0138 178.2788 30 Y 4.2098 8.6782 126.0334 61.0995 38.5057 174.2867 31 S 5.1060 9.0039 122.2433 59.1092 63.7552 175.5420 32 Y 4.5487 8.3318 121.7358 57.4479 35.8662 173.9967 33 L 4.8942 7.5305 122.3973 53.6751 46.4591 174.7025 34 T 5.1273 8.5903 121.3074 61.5296 72.5746 172.8588 35 W 5.4670 8.8937 122.9010 55.3130 32.7343 174.3599 36 Y 5.3921 9.8939 120.8442 56.3851 41.9019 174.0091 37 Q 4.7175 9.2715 124.2919 54.3220 32.0726 174.0657 38 Q 4.6016 8.8839 126.8005 54.4112 31.9479 174.8354 39 K 4.6726 8.7869 128.3699 55.7093 34.0630 177.3669 *40 Q 3.9761 8.4807 120.5183 54.9371 28.6184 176.2310 *41 G 3.8563 8.4612 108.5921 44.2953 0.0000 173.1883 42 K 4.0421 8.1197 119.7338 56.1478 33.2829 175.7283 43 S 4.4262 8.3566 117.1941 56.8574 64.1090 171.7822 44 P 4.7221 0.0000 0.0000 63.1697 32.1921 175.9569 45 Q 4.5445 9.0653 121.9409 54.3541 32.3285 173.7456 46 L 3.7955 8.9603 129.3683 55.7140 42.3168 175.5127 47 L 4.5015 9.0989 125.7253 55.7912 44.3491 176.7473 48 V 4.9030 7.6159 117.8237 61.2625 35.1003 173.5879 49 Y 5.0920 8.5851 125.3957 54.5878 41.7214 174.7180 50 N 4.4140 10.0136 113.0850 54.2802 36.8898 175.9071 51 A 4.2341 8.4785 128.9854 53.2161 18.3785 181.1028 52 K 4.7808 7.7423 112.4148 54.4686 34.5872 177.8847 53 T 4.0915 7.7104 115.3403 63.3636 69.3288 174.0775 54 L 4.3463 8.2885 129.0086 54.6862 42.8575 176.4332 55 A 4.6486 8.8705 131.0408 51.9024 19.6105 177.5883 56 E 3.9590 8.8554 115.6710 57.0746 30.8247 176.9001 57 G 4.0333 8.7373 111.1767 45.7213 0.0000 173.6751 58 V 4.4060 7.1847 115.0431 60.2077 35.2320 173.1225 59 P 4.4900 0.0000 0.0000 63.2398 31.7985 178.1709 60 S 4.3995 8.5716 116.9030 60.0507 62.8048 176.4342 61 R 4.0854 7.9779 115.8098 59.9642 30.1445 177.3713 62 F 4.8902 7.8858 117.7586 57.4893 39.7801 175.4111 63 S 4.6026 8.2844 113.5402 57.7302 66.2518 174.8875 64 G 4.5393 8.8483 110.7640 44.7134 0.0000 172.6477 65 S 4.7642 8.9873 118.2972 58.0235 67.4792 175.2861 66 G 4.0742 10.6343 107.0109 48.4339 0.0000 173.2526 67 S 4.5302 7.7238 112.7099 57.7862 65.9758 171.1151 68 G 3.9929 9.3889 114.1495 45.0777 0.0000 174.6106 69 T 4.5210 7.8448 110.4263 60.6192 72.5512 174.4628 70 Q 4.8337 7.4720 121.0590 53.9935 31.9931 174.5428 71 F 5.4341 9.2126 122.4020 55.8913 43.6919 174.1969 72 S 5.2697 9.0162 113.9936 57.0459 67.1767 172.7644 73 L 4.4739 8.6973 124.7305 53.8500 44.4590 175.6974 74 K 4.7207 8.8824 133.2760 54.4370 34.0618 172.8009 75 I 4.3206 8.3805 125.0216 57.9611 37.9968 173.2092 76 S 4.3260 8.5387 126.6500 58.1260 64.2857 177.1384 77 S 3.9818 8.0654 110.8731 59.0441 58.2628 171.4627 78 L 3.9923 8.4338 130.0692 54.6799 42.3670 176.9114 79 Q 4.7912 9.2529 122.5503 53.4152 30.7077 174.8186 80 P 4.4647 0.0000 0.0000 66.7566 31.4830 179.3046 *81 E 4.1789 8.0955 112.0525 58.4453 29.7529 179.5932 82 D 4.6857 7.9202 116.2551 56.7667 41.0794 176.7958 83 F 4.6694 7.4063 117.7696 55.8675 40.0971 176.3942 84 G 3.9485 7.3221 110.6097 46.4280 0.0000 170.6216 85 N 5.5796 7.7614 117.6612 52.0374 41.8825 173.9442 86 Y 5.2808 8.5915 117.8006 56.7349 42.6642 174.0254 87 Y 5.6417 9.7131 120.9805 56.5108 42.3510 172.2572 88 C 4.6794 9.6669 118.2482 54.1288 45.8030 172.7840 89 Q 4.5375 8.2552 121.8263 54.8243 31.7091 173.8744 90 H 4.9728 8.4357 122.2535 55.2921 30.4786 174.9823 91 H 5.1219 8.3564 114.1830 55.1275 27.6800 174.2767 92 Y 3.4700 8.6850 122.3903 61.7138 38.3628 175.1953 93 G 4.0554 7.2222 109.2380 46.6147 0.0000 175.3570 94 T 3.9139 7.3827 109.3357 60.4288 70.6544 174.0987 *96 R 4.7225 8.2913 114.6874 56.5305 29.6711 175.1777 97 T 4.3127 6.9569 110.2624 61.9530 71.2629 176.2924 98 F 4.3931 8.8671 122.3899 57.0108 40.6721 174.9740 99 G 4.0923 8.6771 108.6039 45.0644 0.0000 174.6118 100 G 3.7749 8.8167 108.1036 46.7861 0.0000 174.1522 101 G 3.7766 9.7482 104.8297 45.0669 0.0000 172.3599 102 T 4.8477 8.2718 116.0713 62.8417 73.5925 174.3395 103 R 5.4363 8.5865 126.3373 54.5970 31.3422 173.0185 104 L 4.6724 9.6497 131.5032 54.3625 43.1284 176.1976 *105 E 4.6663 10.2240 128.5973 56.1057 31.8718 172.6590 106 I 3.6389 8.0867 125.6691 59.4880 35.8800 176.2422 107 K 4.2855 8.9986 133.2256 53.9145 32.1311 172.9845 108 R 4.2853 7.8109 122.7210 53.2488 33.3847 174.2350 109 A 4.1046 8.0162 123.6004 51.7931 18.9064 177.1410 110 D 5.0049 8.7706 121.3497 54.6726 41.3643 175.7441 111 A 4.9717 9.0183 124.7168 49.9979 22.3962 174.9217 112 A 4.8046 8.5653 122.0266 50.1336 20.6959 175.2817 113 P 4.8497 0.0000 0.0000 62.8288 32.6521 175.6452 114 T 4.4414 8.5641 114.1615 60.5295 70.6386 173.6067 115 V 4.7424 8.3208 125.9492 61.4326 33.3760 174.9523 116 S 4.3708 8.5361 123.0877 56.6333 65.3817 172.9841 117 I 4.2893 7.7821 127.7103 59.5903 39.1361 176.2714 *118 F 4.4361 8.4771 125.1577 57.1452 40.2323 175.5046 *132 V 4.0660 7.6994 120.0766 61.2832 33.4546 174.1164 133 V 4.9057 8.4022 123.7731 60.4704 35.0862 174.5851 134 C 5.0344 9.3292 126.6759 54.9690 41.0581 172.5692 135 F 5.5576 8.8922 126.1835 56.2800 40.0161 174.6152 136 L 4.3661 8.7062 125.8545 53.8489 40.9438 175.0472 137 N 4.9956 9.2690 120.5258 52.6745 40.5491 173.9375 138 N 4.3925 8.9874 119.0043 53.1894 36.3124 173.3112 139 F 5.3754 8.7291 114.8216 55.2054 42.1361 175.1697 140 Y 5.1248 9.1195 121.1549 55.7355 42.2676 173.2479 141 P 3.4267 0.0000 0.0000 60.9910 33.5247 176.7807 142 K 3.0089 7.7749 117.7505 59.1059 32.3231 176.7390 143 D 4.3611 7.3537 122.6131 54.7539 40.5790 175.9610 144 I 4.9686 7.9621 122.6736 59.3649 40.4826 170.4019 145 N 5.1004 8.4801 116.1132 53.3544 43.3118 174.3140 146 V 4.8996 8.4431 122.1573 61.0919 34.5792 174.5606 147 K 4.7971 8.7784 126.2459 54.5166 35.8872 175.6854 148 W 5.0866 8.8175 125.0575 55.5244 31.8364 177.0356 149 K 4.2425 8.5252 120.8437 55.7478 32.7012 175.7134 *158 G 3.9332 8.2433 110.0590 45.1767 0.0000 174.2435 159 V 4.5470 7.8667 121.9755 61.8826 35.2409 174.4891 *160 L 4.7773 8.4362 128.3544 53.2904 43.2749 174.2861 161 N 5.1444 8.6052 121.2173 50.5154 40.7388 174.0324 162 S 4.4816 8.1671 117.1890 56.2139 66.5598 172.5019 163 W 5.8364 8.6091 122.2585 55.3787 32.8963 174.8423 164 T 4.6416 8.6490 113.7562 60.2678 70.3133 174.1373 165 D 4.6774 8.5917 122.6608 53.8219 41.6267 176.0823 166 Q 3.2094 8.2861 121.6145 56.1431 30.7527 173.5854 167 D 4.7236 7.9925 129.8859 54.1573 39.4926 177.4621 *170 D 4.4066 9.1413 120.6458 52.7011 40.7211 176.8970 171 S 3.7320 8.7548 115.2711 58.8380 60.2225 175.0436 172 T 4.6732 7.1273 111.5889 61.5710 71.5224 173.1547 173 Y 4.5824 8.3122 119.3738 56.5847 40.9030 175.1735 174 S 5.4575 8.5607 116.4263 57.3919 68.1016 172.7896 175 M 5.4410 9.3375 120.8738 54.0189 36.0883 174.0375 176 S 5.5578 8.6222 118.8259 56.9523 66.5146 172.9252 177 S 5.1559 9.1175 115.7306 57.3152 66.2847 172.6132 178 T 4.9338 8.8640 123.3168 61.8591 71.6110 172.8091 179 L 3.8922 8.1085 130.1608 53.4079 41.9931 175.1062 180 T 4.1037 7.9316 122.2775 62.4516 69.2357 174.9292 181 L 4.5281 8.0793 126.2192 52.1245 45.3350 176.7905 182 T 4.0849 8.6504 117.1239 62.3007 70.3030 175.4268 183 K 4.0606 8.8209 129.0541 61.2701 31.5927 180.1173 *184 D 4.7251 8.2306 122.8836 58.9040 39.8372 180.8013 185 E 4.3231 8.0629 118.9086 60.3599 30.2043 179.3579 186 Y 4.3061 7.4275 122.0706 58.5735 39.4891 175.9531 *193 T 4.1682 8.0360 117.3247 61.6851 71.0309 174.3637 194 C 4.3663 8.2871 122.1597 55.9785 45.2650 173.7214 195 E 4.3635 9.0277 123.5896 55.9623 31.1849 174.6251 196 A 4.8541 8.2756 125.1218 51.7989 21.7798 175.7865 *197 T 4.4943 8.6061 116.7870 61.9011 70.3576 170.6208 198 H 4.6268 8.4638 125.9660 54.3195 33.6011 174.9360 *199 K 4.5115 8.1024 123.4057 55.4211 31.3303 178.9076 200 T 4.4539 8.1474 117.4843 65.6208 69.6651 175.2335 201 S 4.8573 7.6603 112.9712 56.2432 65.3310 173.7105 202 T 4.0207 8.5670 117.1423 64.6720 69.0959 176.0381 *203 S 4.5155 7.5962 119.7475 56.4796 63.4179 175.4440 *204 P 4.4844 0.0000 0.0000 63.3512 31.3015 178.3018 *205 I 3.6250 7.3612 112.0171 61.2019 37.2764 171.7804 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 D 8.36 4.59 0.00 2.68 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 2 I 8.41 4.08 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.54 0.63 0.00 0.00 3 Q 10.52 4.79 0.00 1.62 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 4 M 8.61 5.09 0.00 1.85 2.22 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 5 T 9.14 4.62 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 1.26 0.00 0.00 6 Q 8.84 5.23 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 7 S 8.95 4.95 0.00 3.89 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 8 P 0.00 4.84 0.00 2.39 2.11 0.00 3.79 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 2.05 1.97 0.00 9 A 8.48 4.27 1.31 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 0.00 0.00 0.00 10 S 7.87 5.13 0.00 3.68 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 11 L 8.68 4.51 0.00 1.82 1.50 0.92 1.00 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 12 S 8.78 5.07 0.00 3.85 3.85 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 13 A 9.15 4.70 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 14 S 8.46 5.04 0.00 3.80 3.79 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 15 V 8.35 3.97 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 0.81 0.00 0.00 1.17 0.00 0.00 16 G 9.15 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 17 E 7.97 4.68 0.00 2.22 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 2.30 2.25 0.00 18 T 8.26 5.05 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 1.15 0.00 0.00 19 V 8.50 4.54 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 0.74 0.00 0.00 0.76 0.00 0.00 20 T 8.48 5.09 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 21 I 7.99 4.32 1.87 0.00 0.00 0.86 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 0.62 0.91 0.00 0.00 22 T 8.95 5.26 4.37 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 1.31 0.00 0.00 23 C 9.67 5.40 0.00 3.23 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 24 R 9.69 5.42 0.00 1.48 1.75 0.00 3.30 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 25 A 8.80 5.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.05 4.21 0.00 3.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.69 4.55 0.00 2.03 1.75 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 2.21 1.83 0.00 28 N 8.26 4.66 0.00 2.64 2.56 0.00 0.00 6.68 7.94 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 29 I 8.58 4.24 1.95 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.65 0.00 0.00 30 Y 8.68 4.21 0.00 3.13 2.13 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 31 S 9.00 5.11 0.00 3.59 3.68 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 0.00 0.00 0.00 0.00 32 Y 8.33 4.55 0.00 3.07 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 0.00 0.00 0.00 0.00 33 L 7.53 4.89 0.00 1.00 0.94 0.25 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.59 5.13 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 0.78 0.00 0.00 35 W 8.89 5.47 0.00 3.25 3.09 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 0.00 0.00 0.00 36 Y 9.89 5.39 0.00 3.27 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 37 Q 9.27 4.72 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.04 1.56 0.00 38 Q 8.88 4.60 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 39 K 8.79 4.67 0.00 1.69 1.75 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.41 7.81 *40 Q 8.48 3.98 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 *41 G 8.46 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.04 0.00 2.20 1.80 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 43 S 8.36 4.43 0.00 3.94 3.85 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 44 P 0.00 4.72 0.00 1.77 1.94 0.00 3.55 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 45 Q 9.07 4.54 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 46 L 8.96 3.80 0.00 1.68 1.58 0.61 1.01 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 55 A 8.87 4.65 1.33 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 0.00 0.00 56 E 8.86 3.96 0.00 2.00 1.76 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 2.23 1.88 0.00 57 G 8.74 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 58 V 7.18 4.41 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 0.63 0.00 0.00 0.94 0.00 0.00 59 P 0.00 4.49 0.00 2.39 2.03 0.00 3.92 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.18 0.00 60 S 8.57 4.40 0.00 3.63 3.78 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 61 R 7.98 4.09 0.00 1.81 2.09 0.00 2.59 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 0.00 62 F 7.89 4.89 0.00 3.02 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 63 S 8.28 4.60 0.00 3.76 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.71 4.37 0.00 1.73 1.52 0.84 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 137 N 9.27 5.00 0.00 2.77 2.79 0.00 0.00 7.01 6.35 0.00 0.00 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 N 8.99 4.39 0.00 2.92 2.88 0.00 0.00 6.74 6.97 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 0.00 139 F 8.73 5.38 0.00 2.98 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 0.00 140 Y 9.12 5.12 0.00 3.04 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 0.00 141 P 0.00 3.43 0.00 2.09 1.52 0.00 3.40 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 1.89 1.89 0.00 142 K 7.77 3.01 0.00 0.97 0.74 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.92 1.09 7.81 143 D 7.35 4.36 0.00 2.62 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 0.00 144 I 7.96 4.97 1.87 0.00 0.00 0.86 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 0.73 0.91 0.00 0.00 145 N 8.48 5.10 0.00 2.55 2.68 0.00 0.00 6.82 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 0.00 146 V 8.44 4.90 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 0.63 0.00 0.00 0.91 0.00 0.00 147 K 8.78 4.80 0.00 1.76 1.65 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.25 7.81 148 W 8.82 5.09 0.00 3.17 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 0.00 149 K 8.53 4.24 0.00 1.49 1.50 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.27 1.01 7.81 *158 G 8.24 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 0.00 159 V 7.87 4.55 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 0.81 0.00 0.00 0.51 0.00 0.00 *160 L 8.44 4.78 0.00 1.40 1.51 0.92 0.48 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 0.00 161 N 8.61 5.14 0.00 2.24 1.96 0.00 0.00 6.78 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 0.00 162 S 8.17 4.48 0.00 3.77 3.53 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 0.00 0.00 0.00 0.00 163 W 8.61 5.84 0.00 3.38 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 0.00 164 T 8.65 4.64 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 1.24 0.00 0.00 165 D 8.59 4.68 0.00 2.69 2.68 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 0.00 0.00 0.00 0.00 166 Q 8.29 3.21 0.00 1.76 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.08 0.00 0.00 0.00 0.00 0.00 1.90 1.55 0.00 167 D 7.99 4.72 0.00 2.69 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 0.00 0.00 0.00 *170 D 9.14 4.41 0.00 2.83 2.88 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 0.00 0.00 0.00 171 S 8.75 3.73 0.00 3.79 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 0.00 172 T 7.13 4.67 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 0.00 173 Y 8.31 4.58 0.00 1.81 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 0.00 174 S 8.56 5.46 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 0.00 175 M 9.34 5.44 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 176 S 8.62 5.56 0.00 4.22 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 0.00 177 S 9.12 5.16 0.00 3.97 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 0.00 178 T 8.86 4.93 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 1.16 0.00 0.00 179 L 8.11 3.89 0.00 0.27 0.22 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.93 4.10 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 1.14 0.00 0.00 181 L 8.08 4.53 0.00 1.82 1.56 0.92 0.93 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 0.00 182 T 8.65 4.08 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 1.20 0.00 0.00 183 K 8.82 4.06 0.00 1.87 1.80 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.10 7.81 *184 D 8.23 4.73 0.00 2.77 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 0.00 185 E 8.06 4.32 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 2.24 1.95 0.00 186 Y 7.43 4.31 0.00 2.85 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 *193 T 8.04 4.17 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 1.21 0.00 0.00 194 C 8.29 4.37 0.00 1.96 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 0.00 195 E 9.03 4.36 0.00 1.67 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 2.24 2.14 0.00 196 A 8.28 4.85 1.06 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 *197 T 8.61 4.49 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 1.21 0.00 0.00 198 H 8.46 4.63 0.00 3.09 3.05 0.00 5.83 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 *199 K 8.10 4.51 0.00 1.82 1.67 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.03 7.81 200 T 8.15 4.45 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 1.25 0.00 0.00 201 S 7.66 4.86 0.00 3.78 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 0.00 202 T 8.57 4.02 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 1.21 0.00 0.00 *203 S 7.60 4.52 0.00 3.60 3.68 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 0.00 0.00 0.00 0.00 *204 P 0.00 4.48 0.00 2.08 1.89 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 *205 I 7.36 3.63 1.87 0.00 0.00 0.86 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 0.92 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.