NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 F 5.1396 8.3244 119.4318 57.4170 39.8307 174.2629 14 E 4.3470 8.6090 127.2170 55.6215 31.5152 173.4557 15 T 5.3178 9.2757 120.1604 61.6528 72.8039 172.8778 16 I 3.6489 8.6810 127.9948 61.5289 36.9103 175.4716 17 E 4.1927 8.6576 128.6419 58.1632 30.1813 176.3697 18 R 4.4799 7.7291 117.3698 54.3686 35.1905 174.2820 19 F 4.2595 8.3919 121.3176 56.9196 38.6669 175.4669 20 M 4.1586 8.5745 125.2162 57.8121 32.7488 176.1445 21 D 4.8202 7.4503 115.6256 53.4662 45.3870 173.2782 22 C 5.6498 8.8352 120.9713 57.9978 34.7676 173.0429 23 R 4.6318 9.1347 121.3405 55.6122 32.8139 173.1923 24 I 5.2785 7.4743 119.4289 60.2632 40.9146 174.7099 25 G 2.7106 7.8162 110.6895 43.5824 0.0000 170.9166 26 R 4.1643 7.5759 117.9174 56.1974 31.1038 177.2393 27 K 4.4127 7.9344 121.4144 57.3316 32.6504 177.6283 28 G 3.9195 9.0470 110.8192 45.5095 0.0000 174.2388 29 A 4.3112 7.2139 123.8858 50.4906 16.7448 175.9903 30 T 4.7599 7.4011 110.8298 60.7058 72.7721 176.0726 31 G 3.7584 8.9744 109.0042 44.6810 0.0000 173.3377 32 A 3.8521 8.7624 120.8988 55.7255 18.2214 180.2664 33 T 3.8546 7.9439 103.5017 64.0401 68.5875 174.3855 34 T 4.4473 7.8522 111.9048 61.7224 69.4931 175.5087 35 T 4.2003 7.6952 114.1918 61.5133 70.8341 175.2440 36 I 3.7773 8.1226 121.8042 64.3830 38.2086 177.7200 37 Y 4.3185 7.9599 118.0866 59.9652 37.8926 177.9725 38 A 3.9837 7.1351 121.5772 54.8864 18.4189 179.7346 39 V 3.8607 8.1372 118.4917 65.7540 31.3518 178.1785 40 E 3.8009 8.5832 117.6851 59.0418 29.3805 178.6084 41 A 4.3626 7.8067 119.1333 53.7645 18.9095 177.6133 42 D 4.5915 8.0959 113.1436 53.3741 43.6533 176.6388 43 G 3.9866 9.0072 105.6746 45.2944 0.0000 172.2662 44 D 4.6220 8.3298 119.0178 52.4055 41.5936 175.5748 45 P 4.3116 0.0000 0.0000 65.1489 31.4085 176.1510 46 N 4.6191 9.1664 117.6735 54.0679 38.8935 176.1594 47 A 4.0937 7.7864 121.2434 54.2702 18.7665 180.1237 48 G 4.2716 7.4985 103.0232 44.0374 0.0000 171.9385 49 F 4.3981 8.3152 125.6900 58.1197 40.1179 175.2960 50 E 4.3785 8.4376 115.1523 55.3111 27.2634 176.9283 *53 K 4.1321 8.9311 127.2538 58.3778 33.3993 175.4953 54 E 3.5675 6.8362 114.3313 53.5402 29.1547 174.7540 55 P 4.6344 0.0000 0.0000 61.7920 32.6281 175.3864 56 G 4.5437 8.4565 108.7471 44.5958 0.0000 171.1621 57 E 4.9178 8.3214 117.0884 54.3660 33.9609 175.5476 58 I 4.2904 8.1664 122.1422 60.6884 37.9869 175.4518 59 Q 4.7897 8.5965 126.1031 54.1662 32.3756 174.1917 60 Y 5.3888 9.3194 120.4143 56.2522 41.2238 174.6368 61 L 3.8456 8.9320 126.6385 53.7829 43.1459 175.1781 62 I 4.2533 8.2339 120.7411 58.5708 40.5210 174.3973 63 K 4.1161 8.4385 127.9500 55.1976 33.2611 175.7430 64 W 5.1470 8.5195 127.2232 55.1075 31.4799 175.8375 65 K 4.2854 8.9796 124.6354 58.1421 31.5557 177.0965 66 G 3.9508 9.1823 114.2699 45.4280 0.0000 172.2871 67 W 4.7504 7.8241 117.5355 54.3753 32.5870 175.7924 68 S 4.3224 8.6021 117.5314 58.1346 63.2878 174.9642 69 H 4.1526 8.4167 118.9992 59.0527 28.4844 177.6199 70 I 3.6699 7.2592 117.7222 63.2787 37.7838 175.6598 71 H 5.0865 8.2938 115.7326 55.7755 29.0615 174.1786 72 N 4.8956 7.8821 118.0796 54.2854 39.3190 174.2118 73 T 4.6587 8.0450 108.9227 60.3757 72.7078 172.8802 74 W 4.9246 9.0270 123.6524 56.7036 30.6821 175.3582 75 E 5.1764 9.9840 123.3246 55.2439 34.0197 174.4454 76 T 4.9888 8.7332 113.4506 60.2412 70.8900 175.3334 77 E 3.9793 9.3400 123.5302 59.6342 29.3450 179.2102 78 E 3.9879 8.1878 118.9817 59.3112 30.0496 178.0565 79 T 3.8995 7.7825 109.5697 65.1470 68.6697 175.5773 80 L 4.0675 8.1975 121.6753 57.8428 41.7431 179.7348 81 K 4.0669 7.9593 117.8564 59.7468 31.8225 179.5152 82 Q 4.1095 8.6069 117.5037 58.4079 28.6852 177.8916 83 Q 4.3855 7.9418 116.5952 54.9881 29.2025 175.5509 84 N 4.1355 7.8818 116.0980 53.9182 36.7550 174.9635 85 V 3.9488 7.1742 109.7800 61.8127 32.3269 176.0858 86 R 4.4165 9.1531 122.3506 55.9547 31.7078 177.6452 87 G 4.1421 9.0818 107.4065 45.4115 0.0000 175.3087 88 M 4.0046 8.3325 120.1223 58.5162 32.5145 178.2431 89 K 3.8042 8.3965 118.7763 59.9235 32.0796 178.3086 90 K 3.9940 8.4602 118.7056 59.6970 32.0476 178.9472 91 L 3.3891 8.5781 120.6460 57.6217 41.8666 178.8800 92 D 4.2663 8.0628 119.1987 57.1490 40.6838 178.2895 93 N 4.2409 8.0102 116.4065 56.4869 38.6163 176.3005 94 Y 4.2747 7.8284 120.7893 60.9245 38.7014 178.6634 95 K 3.6880 7.6069 118.4499 59.3621 32.1567 179.6182 96 K 3.9264 8.4958 119.1123 59.0242 31.8134 179.4846 97 K 3.8639 8.8031 121.2395 59.5013 32.0522 178.3484 98 D 4.1255 8.3021 118.6750 57.3686 40.9345 178.4511 99 Q 3.8275 7.9795 118.5214 58.7914 28.8403 177.9766 100 E 3.5206 7.9121 120.2983 59.4962 29.3340 178.8432 101 T 3.9193 7.7560 114.6426 66.8962 68.7955 176.0536 102 K 3.8315 7.7257 119.8954 59.6889 31.9165 178.9208 103 R 3.6687 7.5722 118.1993 59.7085 30.0324 178.2639 104 W 5.2262 7.7423 115.9563 58.2733 29.1595 176.7589 105 L 4.8530 8.4090 119.8822 54.3932 42.0472 178.5641 106 K 3.9966 8.4352 118.8036 59.1022 32.1709 177.7282 107 N 4.7772 7.9975 121.2182 51.2691 38.9889 172.7553 108 A 4.8032 7.9353 125.5638 48.9524 22.6394 176.4706 109 S 4.3028 8.7642 116.1731 58.2762 64.9137 174.3914 110 P 4.3890 0.0000 0.0000 65.6058 31.1063 178.6198 111 E 3.9428 8.1435 118.4550 59.6231 29.5057 178.3923 112 D 4.4530 8.1544 118.3196 57.7804 40.9076 179.2980 113 V 3.7195 7.8102 118.4170 65.7350 31.4343 177.6548 114 E 3.9694 8.7122 119.5948 59.8288 29.4867 177.5182 115 Y 4.0227 8.2436 119.1075 61.1951 38.6424 177.3486 116 Y 4.1009 8.5849 119.7299 61.3317 38.7558 178.6800 117 N 4.3570 8.2217 115.6514 56.2856 38.8653 177.1101 118 C 4.2110 8.3181 118.7789 62.6776 28.2230 175.7064 119 Q 3.8291 8.1249 117.6121 57.4650 28.5837 177.4730 120 Q 4.3735 7.1814 121.0606 55.2712 30.6942 176.6113 121 E 4.1545 8.2656 120.6502 58.5785 29.5450 178.3951 122 L 3.8928 7.6805 119.1235 57.9035 41.7568 179.2651 123 T 3.6373 7.6467 108.9464 64.8521 68.4883 175.5081 124 D 4.4159 7.8380 122.1717 57.4382 40.7093 179.0923 125 D 4.3729 7.9267 117.4810 56.9190 41.0330 178.2973 126 L 3.9376 7.8629 121.1404 58.6011 41.5974 178.5985 127 H 2.8822 7.9417 116.2883 58.6323 28.4825 177.7422 128 K 3.8905 7.4549 118.6163 59.5158 31.7637 179.0625 129 Q 4.0307 7.8181 118.2261 59.4868 28.4785 178.6680 130 Y 4.2835 6.9530 116.5350 60.3183 37.9561 178.2509 131 Q 4.0873 8.2431 117.3557 55.3947 29.6129 175.4804 132 I 4.8222 8.3014 116.1042 58.5984 39.5399 174.8185 133 V 3.2439 6.9933 124.5109 62.8371 30.8398 175.8244 134 G 3.7261 8.5711 116.6417 47.5028 0.0000 173.0573 135 R 4.4158 6.9810 117.5510 55.5078 33.3579 172.8997 136 I 4.2382 8.3455 120.5761 59.3764 38.7516 175.2947 137 I 4.6780 8.9344 119.9494 59.0585 38.4936 175.3226 138 A 5.0699 6.9328 128.5053 52.7106 20.5992 175.7576 139 H 5.6133 8.4663 115.0394 53.7106 32.0321 172.8380 140 S 4.4096 8.2311 113.7440 57.3955 63.8253 174.1852 141 N 4.4441 8.4769 120.0085 55.0372 39.2232 174.5688 142 Q 4.6331 7.7045 118.2056 54.2576 30.9614 174.3318 143 K 4.8226 8.2105 122.8597 54.0365 35.2908 176.1731 144 S 4.2594 9.1782 118.0502 58.2938 63.1142 175.2353 145 A 4.0609 8.4385 121.9001 54.6541 18.2214 178.7174 146 A 4.0724 7.9688 117.6142 53.6835 18.7744 178.3469 147 G 3.9582 8.1090 103.8249 45.1759 0.0000 172.6200 148 Y 4.7971 8.3612 118.3413 56.0045 40.0028 173.9417 149 P 5.0239 0.0000 0.0000 62.0162 34.5349 174.0697 150 D 5.2835 8.6823 119.6479 53.3011 43.6352 175.4143 151 Y 5.0323 8.7492 117.1365 56.2968 41.8425 174.5639 152 Y 3.6074 8.3504 126.1376 57.2513 39.6761 173.7138 153 C 4.3187 8.4664 125.7695 57.6274 30.8094 172.8728 154 K 3.8981 8.2185 125.2892 54.2991 33.4952 175.2710 155 W 4.8783 7.9668 127.5183 55.6647 31.0409 176.1562 156 Q 4.1836 9.0241 123.5727 57.5400 28.5863 178.0475 157 G 4.3170 9.1651 110.3067 45.4187 0.0000 173.0959 158 L 4.7239 7.6108 119.1725 51.5372 45.0107 174.7716 159 P 4.4485 0.0000 0.0000 63.1482 31.7381 176.8387 160 Y 3.6383 9.0187 117.6010 60.5233 37.9427 178.5458 161 S 4.3929 8.1300 113.1532 60.0565 63.3757 174.4656 162 E 4.4237 8.5874 120.3801 56.2763 29.7919 175.5529 163 C 4.2227 7.3625 117.4037 60.3554 29.0299 172.6845 164 S 4.4251 7.2453 112.6420 57.5883 66.3784 174.2261 165 W 4.8973 8.8711 120.9683 55.8733 29.8859 175.8317 166 E 4.9447 9.1143 124.0980 53.9171 33.2007 175.2634 167 D 4.7503 8.8338 121.1429 54.6898 42.1521 177.3250 168 G 4.3516 9.1474 115.1411 47.5560 0.0000 175.7004 169 A 2.6823 7.8320 123.3988 54.1144 18.1366 178.8120 170 L 3.8454 8.1264 116.7947 58.6458 42.2959 178.8029 171 I 4.0771 7.7513 119.2951 64.6538 36.9303 178.4187 172 S 4.3443 8.1455 114.8940 61.8335 62.2482 176.7550 173 K 4.0741 7.7038 120.9539 58.4249 31.8135 177.4761 174 K 4.3838 7.5216 116.3324 55.3782 33.8757 176.1278 175 F 4.9135 8.6374 117.6927 56.8198 40.0598 176.6268 176 Q 4.0756 8.4905 123.6027 59.6526 28.1614 176.8936 177 A 4.1905 8.1644 121.9772 54.4511 18.1910 178.6558 178 C 3.8920 8.0571 114.9273 63.3431 28.7097 176.4118 179 I 3.5795 7.8719 120.9890 64.0893 36.6720 177.7814 180 D 4.5674 9.1365 120.1763 58.0237 40.7540 178.9841 181 E 4.2825 9.2132 116.6443 57.8160 29.6600 178.0704 182 Y 4.2442 8.5939 121.1208 60.6045 38.8616 177.2691 183 F 4.0516 8.2072 116.5910 60.2187 39.3777 177.5099 184 S 4.3845 8.2762 115.2387 61.4534 62.2987 176.6507 185 R 4.4415 7.3271 114.8943 56.0428 30.6875 177.8621 186 K 4.3885 8.7400 120.8010 51.9106 31.2416 176.4073 187 K 3.9564 8.0186 122.5678 56.6698 32.6112 174.1415 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 13 F 8.32 5.14 0.00 3.08 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 14 E 8.61 4.35 0.00 1.98 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 1.61 2.53 0.00 15 T 9.28 5.32 4.36 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 1.29 0.00 0.00 16 I 8.68 3.65 1.66 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 0.47 0.29 0.06 0.00 0.00 17 E 8.66 4.19 0.00 2.02 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 2.18 2.30 0.00 18 R 7.73 4.48 0.00 1.60 1.57 0.00 3.12 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 19 F 8.39 4.26 0.00 2.41 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 0.00 0.00 0.00 20 M 8.57 4.16 0.00 1.72 1.83 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.38 0.00 21 D 7.45 4.82 0.00 2.70 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 22 C 8.84 5.65 0.00 3.43 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 23 R 9.13 4.63 0.00 1.56 1.76 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.09 0.00 24 I 7.47 5.28 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 1.00 0.00 0.00 25 G 7.82 2.71 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 0.00 0.00 0.00 26 R 7.58 4.16 0.00 1.66 1.81 0.00 3.13 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 27 K 7.93 4.41 0.00 1.73 1.73 0.00 1.81 0.00 0.00 0.61 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.40 7.81 28 G 9.05 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 0.00 0.00 0.00 29 A 7.21 4.31 1.15 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 0.00 0.00 0.00 30 T 7.40 4.76 4.42 0.00 0.00 0.00 0.00 0.00 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 8.97 3.76 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 0.00 0.00 0.00 32 A 8.76 3.85 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 33 T 7.94 3.85 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 1.20 0.00 0.00 34 T 7.85 4.45 4.52 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 1.26 0.00 0.00 35 T 7.70 4.20 3.55 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 1.07 0.00 0.00 36 I 8.12 3.78 1.93 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 1.86 1.36 1.06 0.00 0.00 37 Y 7.96 4.32 0.00 3.31 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 38 A 7.14 3.98 1.16 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 39 V 8.14 3.86 2.30 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 1.32 0.00 0.00 1.01 0.00 0.00 40 E 8.58 3.80 0.00 2.16 2.02 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 2.36 2.51 0.00 41 A 7.81 4.36 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.59 0.00 2.72 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 43 G 9.01 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 44 D 8.33 4.62 0.00 2.68 2.54 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 0.00 0.00 0.00 45 P 0.00 4.31 0.00 2.17 2.15 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 46 N 9.17 4.62 0.00 2.38 2.95 0.00 0.00 7.11 5.72 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 47 A 7.79 4.09 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 48 G 7.50 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 0.00 0.00 0.00 0.00 49 F 8.32 4.40 0.00 3.08 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 50 E 8.44 4.38 0.00 1.78 1.13 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 2.17 1.98 0.00 *53 K 8.93 4.13 0.00 1.67 1.80 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.40 7.81 54 E 6.84 3.57 0.00 1.65 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 0.00 2.48 2.51 0.00 55 P 0.00 4.63 0.00 2.07 1.98 0.00 3.66 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 2.00 2.06 0.00 56 G 8.46 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.32 4.92 0.00 1.82 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 2.19 2.21 0.00 58 I 8.17 4.29 1.76 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 1.26 0.45 0.46 0.00 0.00 59 Q 8.60 4.79 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 60 Y 9.32 5.39 0.00 3.08 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 61 L 8.93 3.85 0.00 0.27 1.09 -0.19 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0.00 2.05 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 0.00 2.42 2.42 0.00 112 D 8.15 4.45 0.00 2.96 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 0.00 113 V 7.81 3.72 2.30 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 1.06 0.00 0.00 0.93 0.00 0.00 114 E 8.71 3.97 0.00 2.13 2.14 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 2.36 2.41 0.00 115 Y 8.24 4.02 0.00 3.15 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 0.00 116 Y 8.58 4.10 0.00 3.22 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 0.00 117 N 8.22 4.36 0.00 2.96 2.91 0.00 0.00 7.14 6.95 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 0.00 118 C 8.32 4.21 0.00 2.82 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 0.00 119 Q 8.12 3.83 0.00 1.50 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 1.40 1.31 0.00 120 Q 7.18 4.37 0.00 1.86 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 1.86 2.04 0.00 121 E 8.27 4.15 0.00 2.21 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 2.27 2.31 0.00 122 L 7.68 3.89 0.00 1.71 1.60 0.81 0.64 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 0.00 123 T 7.65 3.64 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 1.15 0.00 0.00 124 D 7.84 4.42 0.00 2.83 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 0.00 125 D 7.93 4.37 0.00 2.71 2.67 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 0.00 126 L 7.86 3.94 0.00 1.76 1.53 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 127 H 7.94 2.88 0.00 3.15 3.08 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 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1.39 1.41 0.00 136 I 8.35 4.24 1.24 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 0.44 0.00 0.00 137 I 8.93 4.68 1.97 0.00 0.00 1.17 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 0.89 0.94 0.00 0.00 138 A 6.93 5.07 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 0.00 139 H 8.47 5.61 0.00 3.17 3.21 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.23 4.41 0.00 3.77 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 0.00 141 N 8.48 4.44 0.00 2.67 2.81 0.00 0.00 6.85 7.08 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 0.00 142 Q 7.70 4.63 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 143 K 8.21 4.82 0.00 1.75 1.68 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.41 7.81 144 S 9.18 4.26 0.00 4.04 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 0.00 145 A 8.44 4.06 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 0.00 146 A 7.97 4.07 1.46 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 0.00 0.00 147 G 8.11 3.96 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 0.00 0.00 0.00 148 Y 8.36 4.80 0.00 2.97 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 0.00 149 P 0.00 5.02 0.00 2.04 2.26 0.00 3.95 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.14 0.00 150 D 8.68 5.28 0.00 2.75 3.02 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 0.00 151 Y 8.75 5.03 0.00 2.84 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 0.00 152 Y 8.35 3.61 0.00 1.43 2.25 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 0.00 153 C 8.47 4.32 0.00 1.38 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.22 3.90 0.00 1.22 1.23 0.00 1.23 0.00 0.00 1.20 0.00 0.00 2.30 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.21 7.81 155 W 7.97 4.88 0.00 3.27 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 0.00 156 Q 9.02 4.18 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.56 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 157 G 9.17 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 0.00 0.00 0.00 0.00 158 L 7.61 4.72 0.00 1.58 1.41 0.49 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.45 0.00 2.26 2.24 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 160 Y 9.02 3.64 0.00 3.08 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 0.00 161 S 8.13 4.39 0.00 4.01 4.04 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 0.00 162 E 8.59 4.42 0.00 1.97 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 2.42 2.32 0.00 163 C 7.36 4.22 0.00 2.55 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 0.00 164 S 7.25 4.43 0.00 3.92 3.96 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 0.00 165 W 8.87 4.90 0.00 3.29 3.30 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 0.00 166 E 9.11 4.94 0.00 1.92 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 2.46 2.82 0.00 167 D 8.83 4.75 0.00 2.73 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 0.00 168 G 9.15 4.35 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 0.00 169 A 7.83 2.68 1.10 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 0.00 0.00 170 L 8.13 3.85 0.00 1.71 1.88 0.79 0.31 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 0.00 171 I 7.75 4.08 2.10 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 1.99 0.72 0.88 0.00 0.00 172 S 8.15 4.34 0.00 4.43 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 0.00 173 K 7.70 4.07 0.00 1.88 1.94 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.66 7.81 174 K 7.52 4.38 0.00 1.45 1.48 0.00 1.83 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.80 7.81 175 F 8.64 4.91 0.00 2.94 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 0.00 176 Q 8.49 4.08 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 177 A 8.16 4.19 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 0.00 178 C 8.06 3.89 0.00 3.05 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 0.00 179 I 7.87 3.58 2.09 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 0.82 0.87 1.12 0.00 0.00 180 D 9.14 4.57 0.00 2.99 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 0.00 181 E 9.21 4.28 0.00 1.80 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 2.38 2.48 0.00 182 Y 8.59 4.24 0.00 2.92 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 0.00 183 F 8.21 4.05 0.00 3.04 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 0.00 184 S 8.28 4.38 0.00 3.92 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 0.00 185 R 7.33 4.44 0.00 1.90 1.90 0.00 3.12 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 186 K 8.74 4.39 0.00 1.71 1.70 0.00 1.68 0.00 0.00 1.20 0.00 0.00 2.50 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.27 1.50 7.81 187 K 8.02 3.96 0.00 1.80 1.77 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.19 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.