NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-4 H 4.5421 8.5445 117.3805 54.2508 29.1522 173.6535 *-3 H 4.4280 8.0250 115.1746 53.9258 27.4149 178.7433 *-2 H 5.0725 8.3189 128.2770 53.4123 28.3462 171.9182 -1 H 4.7973 7.7209 120.4262 57.3409 32.3688 174.7732 0 H 4.1401 7.4788 115.2869 56.8010 29.0101 175.3979 *-2 N 5.0825 8.2989 128.7770 51.5123 38.2462 173.0182 -1 D 4.7073 7.6409 122.6263 56.5409 44.4688 176.9732 0 L 3.7501 7.2188 118.8869 56.9010 42.4101 178.8979 5 V 3.7187 7.5921 117.5405 66.1233 31.6306 177.6133 6 E 3.9960 8.1979 117.8602 59.5328 29.2636 179.2053 7 S 4.1407 8.0048 112.5863 61.4523 62.5429 176.1336 8 L 4.0564 7.7833 121.1959 57.6057 41.4539 179.1028 9 I 3.6547 8.1435 120.2992 64.6600 37.1330 177.4601 10 Y 4.1551 8.1618 120.0509 61.1140 38.3491 178.3040 11 E 3.9149 8.1305 117.7751 59.3875 29.6295 179.2192 12 V 3.7508 8.1059 117.8335 65.9812 31.9602 177.4690 13 N 4.4972 8.1850 116.3255 56.0454 38.4033 177.9212 14 N 4.4833 7.8374 117.9332 53.6053 39.0703 176.3884 *16 Q 4.5655 8.1155 121.2978 55.8733 31.2214 177.0301 17 Q 4.0706 7.9965 116.3714 58.8771 28.5380 178.3814 18 N 4.2959 8.2605 117.6521 56.1747 38.5457 177.2014 19 F 4.2019 7.9725 122.8284 60.8334 39.5053 176.8126 20 E 3.7666 8.3128 118.1280 59.3140 29.1591 179.2833 21 N 4.2471 8.0491 116.4915 56.4611 38.7607 178.0257 22 V 3.5948 7.7466 113.8229 63.9972 31.2444 178.9528 23 K 3.7417 7.3469 118.0716 59.1306 31.9606 179.2664 24 S 4.1755 7.6043 113.3509 61.6526 63.1425 176.2894 25 Q 4.0191 8.0383 119.9917 55.7862 28.9638 175.8811 26 Q 3.3858 7.7058 117.8423 56.5207 26.9784 173.7019 27 Q 4.4545 7.6593 116.3783 54.2363 32.0961 174.3340 28 D 4.4773 8.7626 126.4020 54.6693 41.5012 176.1844 29 H 4.4700 8.0731 119.4924 55.3830 29.9387 174.9884 30 D 4.3866 8.5107 120.4855 54.0509 42.0680 176.6310 31 F 3.8779 9.0141 129.1303 61.6040 39.5604 176.6275 32 Y 4.3219 7.8707 115.8955 60.3539 38.1444 176.8486 33 Q 4.2646 9.1662 118.3836 57.7577 29.5904 176.1726 34 T 4.3294 7.6351 111.5312 64.8859 71.0833 176.3144 35 V 3.2430 7.5655 120.2145 65.6805 31.4248 177.8011 36 K 3.5914 7.5901 119.5938 59.1595 32.0419 176.8655 37 P 4.2125 0.0000 0.0000 65.6030 31.1619 178.0737 38 Y 4.0127 7.8677 118.1763 60.9633 38.7919 178.0931 39 T 3.8197 8.2429 110.9833 64.8745 68.8183 176.2838 40 E 3.9879 8.4699 121.6796 59.3297 29.4162 178.8229 41 H 4.1529 8.1334 118.4152 59.1699 29.8327 177.4025 42 I 3.4646 7.5980 121.7522 64.4237 36.8719 177.9980 43 D 4.3790 8.5481 122.5682 58.0935 40.5694 179.8196 44 S 4.1358 7.8921 119.0277 63.3947 62.3102 178.8822 45 I 3.8892 7.4337 123.3741 64.1766 36.7534 178.6379 46 L 3.9830 8.1283 120.0323 57.7628 41.1736 179.1909 47 N 4.3302 8.3617 116.0809 56.3373 38.7779 177.0446 48 E 4.1288 8.0321 119.3841 59.6146 29.7088 179.2921 49 I 3.8447 7.9547 118.4401 64.0502 37.9599 177.9986 50 K 4.3758 8.5318 119.7892 59.3912 31.6335 179.0789 51 L 4.1209 7.9246 118.3865 57.1470 41.6376 177.6102 52 H 4.8273 7.9561 115.2834 55.6414 29.3098 176.4724 53 R 3.0763 8.0616 122.4039 59.7887 29.4042 178.1512 54 E 3.8614 8.0302 115.9210 59.3487 29.7503 178.8758 55 F 4.0323 8.0974 120.0508 61.3742 39.7344 176.9431 56 I 3.9107 7.9566 119.6859 64.5561 36.6290 178.3212 57 I 3.8297 7.8200 113.1004 62.9694 37.1665 177.0548 58 E 4.3346 7.7274 118.7020 55.8104 30.1056 176.7741 59 V 3.7758 6.8506 112.6501 59.9934 32.3293 174.2799 60 P 4.0968 0.0000 0.0000 64.7125 31.7539 175.5870 61 Y 3.3921 7.9742 116.7747 59.6408 34.3565 168.7857 *63 N 4.7865 7.6202 117.9584 52.5916 40.1507 173.8787 64 S 4.0876 8.3156 113.1067 61.5158 62.4222 175.6689 65 R 3.8990 8.0507 120.7966 59.6392 29.9265 178.3879 66 K 4.0097 9.0764 118.4787 59.4544 32.1374 179.1238 67 F 4.2212 8.4903 120.9598 61.3910 39.3480 177.1245 68 E 3.9872 8.3976 118.2326 59.3596 29.2620 179.3372 69 L 4.0047 8.1602 119.1880 57.4478 41.6242 179.2533 70 L 3.8929 7.9209 120.4179 58.1324 41.9918 179.1268 71 I 3.5015 7.3481 119.0292 64.2583 36.9471 178.3411 72 A 4.2174 7.7271 122.7957 54.7237 18.2132 179.3038 73 N 4.2055 8.5470 115.4069 56.6191 38.6135 177.7422 74 I 3.6924 7.8460 121.0483 64.3191 36.6525 178.2707 75 E 3.9786 8.2948 119.5376 59.4065 29.2769 179.2562 76 Q 4.0113 8.3192 119.6141 59.3345 29.1289 178.2268 77 L 4.2465 8.0858 120.2621 57.9276 41.3981 179.7341 78 S 4.5161 8.1458 113.2936 60.9507 63.2284 176.2643 79 V 4.2078 7.7297 121.9107 65.6139 31.8424 177.8366 80 E 4.3583 8.9067 118.6343 58.9607 29.1975 178.2497 81 C 4.2612 8.2227 113.2301 59.6097 29.9993 174.1574 82 H 4.6628 8.1946 118.2195 55.4642 29.2393 173.7552 83 F 5.1569 7.9666 119.9357 55.0612 40.9742 176.6757 84 K 3.8754 9.6123 128.5078 60.3237 32.4793 178.9745 85 R 4.2308 7.9829 115.5345 57.1346 29.8392 180.3903 86 T 4.0179 7.6485 114.3193 64.5080 69.0023 174.5283 87 S 4.2698 8.7523 120.5633 58.1902 63.4425 174.7045 88 R 4.1219 8.8941 129.3555 59.4578 30.0256 178.0359 89 K 3.8760 8.1620 118.8865 59.8260 32.1868 178.4835 90 L 4.0749 7.8234 118.4106 57.2948 41.6005 179.1513 91 F 3.8307 8.3608 120.8691 61.3512 39.2384 177.3766 92 I 3.6201 7.8989 119.5135 64.0124 36.8979 177.9092 93 E 3.8267 7.9063 119.8101 59.1972 29.3983 178.9003 94 K 3.7816 7.8418 119.4658 59.3148 32.1735 178.2503 95 L 3.6799 7.7158 120.9928 58.2540 41.7681 179.2327 96 K 3.9366 8.1206 118.3092 59.3610 31.9627 179.3029 97 S 4.0463 7.9473 113.4386 61.3011 62.2436 176.3733 98 V 3.5667 7.8938 120.9935 66.2449 31.3067 178.0484 99 Q 3.9821 8.3622 118.0771 58.8779 28.4059 178.1777 100 Y 3.9068 8.3280 120.9023 60.8000 38.9315 177.7666 101 D 4.3049 8.3087 119.7115 57.4990 40.9337 178.8443 102 L 3.9963 8.2149 119.6625 57.9868 41.5396 179.6844 103 Q 3.9577 8.0874 117.8852 59.0244 28.5636 178.6095 104 N 4.2482 7.6714 117.1653 56.0578 38.4724 177.7050 105 I 3.7452 7.7727 121.3072 64.2197 37.0699 177.8856 106 L 3.9396 7.9646 120.1555 58.4721 41.9257 178.3225 107 D 4.6435 8.2492 117.6220 57.6226 40.9083 179.0691 108 G 3.8105 8.1805 104.5815 46.5569 0.0000 175.0971 109 V 4.5874 7.4326 114.9106 59.4301 29.3157 176.0304 110 T 4.0869 7.4573 118.6712 64.3535 69.3298 174.1531 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 H 8.54 4.54 0.00 2.95 3.06 0.00 7.16 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-3 H 8.02 4.43 0.00 2.91 3.02 0.00 7.12 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-2 H 8.32 5.07 0.00 2.90 2.91 0.00 7.11 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.72 4.80 0.00 3.05 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.48 4.14 0.00 3.18 3.45 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-2 N 8.30 5.08 0.00 2.44 2.50 0.00 0.00 6.65 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 -1 D 7.64 4.71 0.00 2.48 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 0 L 7.22 3.75 0.00 1.51 1.91 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.59 3.72 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 1.16 0.00 0.00 0.93 0.00 0.00 6 E 8.20 4.00 0.00 2.17 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 2.41 2.37 0.00 7 S 8.00 4.14 0.00 4.01 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 8 L 7.78 4.06 0.00 1.89 1.69 0.89 0.89 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 9 I 8.14 3.65 2.07 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 1.41 0.99 0.94 0.00 0.00 10 Y 8.16 4.16 0.00 3.08 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 11 E 8.13 3.91 0.00 2.25 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 2.80 2.56 0.00 12 V 8.11 3.75 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 0.78 0.00 0.00 0.95 0.00 0.00 13 N 8.18 4.50 0.00 2.87 2.79 0.00 0.00 6.63 6.42 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 14 N 7.84 4.48 0.00 2.53 2.85 0.00 0.00 6.83 6.64 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 *16 Q 8.12 4.57 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 17 Q 8.00 4.07 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 18 N 8.26 4.30 0.00 2.62 2.84 0.00 0.00 6.62 7.47 0.00 0.00 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 F 7.97 4.20 0.00 2.41 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 20 E 8.31 3.77 0.00 2.19 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 2.63 2.54 0.00 21 N 8.05 4.25 0.00 2.87 2.81 0.00 0.00 6.98 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 22 V 7.75 3.59 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 0.61 0.00 0.00 0.81 0.00 0.00 23 K 7.35 3.74 0.00 1.50 1.55 0.00 1.45 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.32 0.44 7.81 24 S 7.60 4.18 0.00 3.98 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 25 Q 8.04 4.02 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 26 Q 7.71 3.39 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 27 Q 7.66 4.45 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.57 6.94 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 28 D 8.76 4.48 0.00 2.50 2.29 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 29 H 8.07 4.47 0.00 2.89 3.08 0.00 5.68 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 30 D 8.51 4.39 0.00 2.75 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 31 F 9.01 3.88 0.00 2.98 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 32 Y 7.87 4.32 0.00 3.12 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 33 Q 9.17 4.26 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.72 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 34 T 7.64 4.33 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 0.96 0.00 0.00 35 V 7.57 3.24 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 1.14 0.00 0.00 0.75 0.00 0.00 36 K 7.59 3.59 0.00 1.21 1.60 0.00 1.95 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.42 7.81 37 P 0.00 4.21 0.00 2.21 2.09 0.00 3.61 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 2.28 2.14 0.00 38 Y 7.87 4.01 0.00 3.17 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 39 T 8.24 3.82 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 1.43 0.00 0.00 40 E 8.47 3.99 0.00 2.21 2.04 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 2.34 2.47 0.00 41 H 8.13 4.15 0.00 3.20 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.60 3.46 1.83 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.42 0.83 0.00 0.00 43 D 8.55 4.38 0.00 2.79 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 44 S 7.89 4.14 0.00 3.76 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 45 I 7.43 3.89 1.88 0.00 0.00 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 1.45 0.48 0.87 0.00 0.00 46 L 8.13 3.98 0.00 1.76 1.66 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.36 4.33 0.00 2.82 2.90 0.00 0.00 7.08 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 48 E 8.03 4.13 0.00 2.30 2.04 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 2.33 2.19 0.00 49 I 7.95 3.84 1.90 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 1.71 1.42 1.00 0.00 0.00 50 K 8.53 4.38 0.00 2.10 1.96 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.73 7.81 51 L 7.92 4.12 0.00 1.71 1.67 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.96 4.83 0.00 3.35 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.06 3.08 0.00 1.91 1.83 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.00 54 E 8.03 3.86 0.00 2.24 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 2.32 1.94 0.00 55 F 8.10 4.03 0.00 3.14 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 56 I 7.96 3.91 1.74 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.92 1.15 0.00 0.00 57 I 7.82 3.83 1.79 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 1.62 0.70 0.67 0.00 0.00 58 E 7.73 4.33 0.00 1.81 1.82 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 2.30 2.32 0.00 59 V 6.85 3.78 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 0.70 0.00 0.00 1.07 0.00 0.00 60 P 0.00 4.10 0.00 2.07 1.83 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 61 Y 7.97 3.39 0.00 3.18 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 *63 N 7.62 4.79 0.00 3.03 3.04 0.00 0.00 6.37 7.64 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 64 S 8.32 4.09 0.00 3.91 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 65 R 8.05 3.90 0.00 1.95 2.06 0.00 3.25 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 66 K 9.08 4.01 0.00 2.06 1.94 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.68 7.81 67 F 8.49 4.22 0.00 3.22 3.25 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 68 E 8.40 3.99 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 2.70 2.57 0.00 69 L 8.16 4.00 0.00 1.70 1.70 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.92 3.89 0.00 1.81 1.68 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.35 3.50 1.83 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.34 0.82 0.00 0.00 72 A 7.73 4.22 1.36 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 0.00 0.00 0.00 73 N 8.55 4.21 0.00 2.86 2.81 0.00 0.00 7.07 7.42 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 74 I 7.85 3.69 1.94 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 1.47 0.90 0.88 0.00 0.00 75 E 8.29 3.98 0.00 2.17 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 2.32 2.42 0.00 76 Q 8.32 4.01 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 77 L 8.09 4.25 0.00 1.90 1.72 0.71 -0.15 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 78 S 8.15 4.52 0.00 4.23 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 0.00 79 V 7.73 4.21 2.36 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 1.28 0.00 0.00 1.14 0.00 0.00 80 E 8.91 4.36 0.00 2.35 2.19 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 2.40 2.57 0.00 81 C 8.22 4.26 0.00 3.13 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 82 H 8.19 4.66 0.00 3.23 3.08 0.00 5.56 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.97 5.16 0.00 3.20 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 84 K 9.61 3.88 0.00 1.73 1.86 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.39 7.81 85 R 7.98 4.23 0.00 1.86 1.87 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.22 0.00 86 T 7.65 4.02 4.61 0.00 0.00 0.00 0.00 0.00 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 87 S 8.75 4.27 0.00 3.93 3.80 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 88 R 8.89 4.12 0.00 2.19 2.05 0.00 3.34 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.98 0.00 89 K 8.16 3.88 0.00 1.89 1.83 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.56 7.81 90 L 7.82 4.07 0.00 1.78 1.69 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.36 3.83 0.00 2.86 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 92 I 7.90 3.62 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.79 0.91 0.00 0.00 93 E 7.91 3.83 0.00 2.03 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 0.00 2.25 2.27 0.00 94 K 7.84 3.78 0.00 1.83 1.67 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.34 7.81 95 L 7.72 3.68 0.00 1.26 1.55 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.12 3.94 0.00 1.87 1.81 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.55 7.81 97 S 7.95 4.05 0.00 3.85 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 98 V 7.89 3.57 2.11 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 1.01 0.00 0.00 0.89 0.00 0.00 99 Q 8.36 3.98 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 100 Y 8.33 3.91 0.00 3.02 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 0.00 101 D 8.31 4.30 0.00 2.91 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 0.00 102 L 8.21 4.00 0.00 1.83 1.70 0.90 0.85 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 0.00 103 Q 8.09 3.96 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 104 N 7.67 4.25 0.00 2.67 2.82 0.00 0.00 7.04 8.63 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 0.00 105 I 7.77 3.75 2.04 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 1.51 1.00 0.99 0.00 0.00 106 L 7.96 3.94 0.00 1.68 1.86 0.91 1.17 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 0.00 107 D 8.25 4.64 0.00 2.82 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 0.00 108 G 8.18 3.81 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 0.00 0.00 0.00 109 V 7.43 4.59 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 1.06 0.00 0.00 1.02 0.00 0.00 110 T 7.46 4.09 4.60 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 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.