NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.4387 8.1849 120.5799 54.0790 42.7119 176.5487 5 T 4.3506 7.4657 113.3035 62.0635 73.0991 172.7357 6 K 4.5650 8.7981 125.4355 56.1714 34.2941 176.4076 7 V 4.2155 7.9426 122.3536 60.8406 34.6572 174.5566 8 K 4.0284 8.8577 126.6480 57.6566 31.8542 175.8242 9 L 4.7105 8.5607 125.2869 56.6622 44.3136 175.3744 10 C 4.7190 7.3089 110.3637 58.1632 33.2233 171.6608 11 Q 4.9526 8.1270 117.3054 54.2217 30.0986 176.9332 12 L 3.8665 9.0503 127.4659 57.6661 42.1708 177.2560 13 D 4.5465 7.8622 115.4398 53.7374 39.6879 176.0682 14 D 4.8677 8.2676 119.2424 54.1748 41.2319 175.9191 15 L 4.5601 7.0549 119.1618 52.9712 45.4015 173.7100 *17 P 4.8268 0.0000 0.0000 64.5145 32.2576 177.7362 18 F 4.3763 8.6977 119.5128 57.6915 37.8163 174.9834 19 I 4.3812 7.7194 120.8565 59.4338 37.2351 175.1436 20 G 3.4983 8.5279 113.2700 44.5384 0.0000 171.8947 21 A 4.9236 8.2091 125.7661 50.2488 22.3591 175.2330 22 T 4.9045 8.1689 109.1191 60.4840 71.2951 173.9751 23 V 4.4927 8.6892 115.9788 59.7640 36.9756 173.6566 24 L 4.9101 8.2343 122.5964 53.5962 42.8507 176.2186 25 I 3.9021 8.2491 127.6668 59.9988 37.5217 175.0501 26 E 3.7902 9.2390 128.5403 57.3356 26.5461 174.8999 27 G 3.8366 8.1010 98.5338 46.5207 0.0000 172.5094 28 E 4.5557 7.4424 118.3885 53.6003 32.8954 174.1308 29 R 4.2457 8.5499 126.2054 56.1337 31.2988 174.9791 30 V 4.5866 8.4201 126.1726 60.8221 35.1521 173.7494 31 A 4.9861 9.3660 129.3323 50.2710 21.3846 175.3586 32 L 5.0597 8.9544 123.4952 53.1861 44.0973 175.7096 33 F 5.1794 9.3033 122.1646 55.7313 42.6879 173.3780 34 Y 5.1192 8.7709 123.7518 55.8617 41.4179 174.0142 35 I 4.2215 7.5464 126.4911 58.1505 40.3649 175.5880 36 P 4.3305 0.0000 0.0000 62.2789 30.6234 175.7553 37 D 4.8038 8.0248 119.0690 54.9146 46.6298 177.0549 38 S 4.1757 8.0470 115.1205 62.1346 62.9983 172.9798 39 G 3.5901 7.5217 103.9674 43.2968 0.0000 171.7839 40 V 4.3202 7.8441 119.6031 62.1801 32.4921 174.8985 41 Y 5.0919 9.1703 125.6802 56.2343 40.8202 174.4224 42 A 5.3196 9.0177 125.8208 50.6477 21.1685 175.6500 43 V 5.3730 8.6711 115.5091 59.5373 35.8173 175.6903 44 Q 4.7491 8.9307 121.5031 57.0339 28.9248 176.0691 45 D 4.6564 9.2534 120.7502 55.0127 42.5995 175.1143 46 W 4.6946 8.2099 128.4026 56.6376 31.5729 175.1953 47 D 4.2231 8.0597 128.7986 53.3424 40.9616 175.1618 48 P 4.4657 0.0000 0.0000 64.3342 31.4494 176.2355 49 I 4.3908 8.0000 120.0156 60.9521 40.0287 173.8032 50 G 4.1992 10.1447 116.8138 45.4576 0.0000 172.9079 51 K 2.4800 7.1643 119.0541 54.3459 29.3240 174.4597 52 A 3.8390 5.8000 119.8780 51.2552 21.8052 176.2170 53 Y 4.6118 8.6160 119.7699 57.8556 37.0279 176.0882 54 V 4.4029 8.3044 125.7788 59.9476 31.7835 176.1463 *56 S 4.2394 7.9481 118.3811 58.6182 64.9673 175.4741 57 R 4.4704 8.2128 119.4058 56.0457 30.3418 176.4228 58 G 4.0271 7.9563 105.5359 45.9861 0.0000 173.4722 59 I 4.3835 8.0365 121.9837 59.9634 38.5610 175.6862 60 V 4.3359 8.7339 128.4335 62.5498 31.6416 175.3010 61 G 4.2230 9.0236 115.6783 44.3495 0.0000 171.0385 62 D 4.8415 8.7610 123.6626 52.7201 42.7222 175.5310 63 I 3.6847 8.7248 132.0103 62.5950 35.3217 178.4204 64 N 4.5409 9.3316 132.8079 52.7818 38.2465 172.6638 65 G 4.0215 8.1290 112.8761 46.2972 0.0000 177.5219 66 E 4.1088 7.6198 124.4656 54.9855 30.1904 175.9829 *68 C 4.6294 8.4357 113.0973 59.7812 30.4234 173.0763 69 V 4.6332 8.3264 121.5516 59.9334 33.5044 174.5407 70 A 4.6879 8.7907 127.5219 49.7420 19.6197 176.4928 71 S 4.3587 8.8372 118.2302 58.5710 63.0697 173.4631 72 P 4.3798 0.0000 0.0000 64.7202 31.7517 177.6124 73 L 3.7969 7.3022 118.1194 57.3309 41.6769 178.2593 74 Y 4.7721 7.3881 114.1624 57.4961 38.7263 176.5365 75 K 4.1594 8.3368 114.8929 56.3987 29.9987 176.4018 76 Q 4.3780 7.3132 118.7015 56.4543 30.6109 174.3617 77 H 5.0743 8.1878 115.2781 55.2437 33.3020 172.9096 78 F 5.2760 9.1183 121.0965 55.6332 42.7727 173.8841 79 S 4.9015 8.8329 116.5607 56.8412 63.6120 173.8951 80 L 3.8107 8.4021 127.1628 55.5199 42.1283 176.2485 81 K 3.8546 8.3580 120.2542 57.1709 30.6802 174.7489 82 S 4.5093 8.4293 114.5082 59.0960 69.0116 175.8261 83 G 4.4730 9.4014 108.9482 46.3834 0.0000 173.0576 84 Q 4.1889 7.7735 121.1060 57.0035 29.8571 176.7259 85 C 4.4581 8.1509 125.7038 58.7145 32.8219 172.2873 86 L 4.1347 8.0855 122.8258 54.7444 42.7091 176.5753 87 E 3.7650 7.4244 123.7579 55.8461 27.7097 175.9077 88 D 5.2779 8.2263 130.1898 53.6726 42.4169 176.2778 89 E 3.8005 8.8300 123.6462 60.0051 30.1397 179.7770 90 A 3.7283 6.6863 119.0609 51.9626 20.1701 176.4640 91 H 5.0759 7.7551 111.6541 55.0198 31.0807 173.6905 92 C 5.1433 8.4520 120.2982 58.3851 34.8239 173.1557 93 L 4.5796 8.9314 126.3782 53.9156 42.9291 176.3921 94 K 4.3793 10.0423 125.7571 56.7662 33.3134 175.6532 95 T 5.4684 8.1538 115.5217 59.8486 71.7091 172.9079 96 W 4.7752 9.2211 122.9233 54.9354 32.2185 175.8792 97 R 4.3896 8.7259 121.9745 56.1786 30.7758 175.8346 98 V 5.4742 8.8505 117.3002 58.7841 34.7643 175.3931 99 T 4.6798 8.5757 115.0452 60.0764 72.1113 172.8962 100 V 5.0693 7.9812 119.5139 59.4812 34.9963 175.4729 101 D 4.8642 8.4646 125.2804 53.6558 40.7738 176.7429 102 D 4.4356 8.8046 126.6932 57.7936 41.2122 177.5060 103 N 4.7757 7.7402 112.6485 53.2873 38.9071 172.6495 104 Q 4.6062 8.1636 122.3738 55.1516 30.2784 174.2913 105 V 4.2485 8.0632 127.4281 63.0435 33.1555 174.8296 106 C 6.1144 9.3533 125.2951 57.4837 32.6544 171.9639 107 Y 5.9392 7.9157 115.2632 56.5123 40.7354 174.4142 108 L 5.0714 9.0381 121.9326 54.3641 43.1268 176.6900 109 A 4.2924 8.1301 122.3461 52.6724 18.6056 176.2414 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 L 8.18 4.44 0.00 1.54 1.75 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.47 4.35 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 6 K 8.80 4.57 0.00 1.59 1.67 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.41 7.81 7 V 7.94 4.22 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 0.00 0.00 0.96 0.00 0.00 0.56 0.00 0.00 8 K 8.86 4.03 0.00 1.68 1.78 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.67 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.41 7.81 9 L 8.56 4.71 0.00 1.91 1.85 0.84 0.79 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 10 C 7.31 4.72 0.00 2.92 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 11 Q 8.13 4.95 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 12 L 9.05 3.87 0.00 1.47 1.60 0.37 1.37 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 13 D 7.86 4.55 0.00 2.74 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 14 D 8.27 4.87 0.00 2.80 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 15 L 7.05 4.56 0.00 1.34 1.54 0.80 0.98 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 *17 P 0.00 4.83 0.00 1.88 1.49 0.00 4.03 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 18 F 8.70 4.38 0.00 3.34 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 19 I 7.72 4.38 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.92 0.94 0.00 0.00 20 G 8.53 3.50 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 0.00 21 A 8.21 4.92 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 22 T 8.17 4.90 4.13 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 1.18 0.00 0.00 23 V 8.69 4.49 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 0.67 0.00 0.00 0.74 0.00 0.00 24 L 8.23 4.91 0.00 1.46 1.39 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.25 3.90 1.24 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.24 0.24 0.00 0.00 26 E 9.24 3.79 0.00 2.16 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 0.00 2.27 2.40 0.00 27 G 8.10 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 28 E 7.44 4.56 0.00 2.21 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 2.52 2.36 0.00 29 R 8.55 4.25 0.00 2.01 2.00 0.00 2.86 0.00 0.00 3.04 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.59 0.00 30 V 8.42 4.59 1.57 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 0.41 0.00 0.00 -0.54 0.00 0.00 31 A 9.37 4.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 5.06 0.00 1.54 1.54 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.30 5.18 0.00 3.17 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 34 Y 8.77 5.12 0.00 2.96 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 35 I 7.55 4.22 1.85 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 1.27 1.13 0.87 0.00 0.00 36 P 0.00 4.33 0.00 1.85 1.94 0.00 3.29 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.49 0.00 37 D 8.02 4.80 0.00 2.70 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 38 S 8.05 4.18 0.00 4.03 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 39 G 7.52 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.84 4.32 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 0.94 0.00 0.00 1.04 0.00 0.00 41 Y 9.17 5.09 0.00 3.07 2.92 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 42 A 9.02 5.32 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.67 5.37 2.23 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 0.99 0.00 0.00 1.19 0.00 0.00 44 Q 8.93 4.75 0.00 2.38 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 45 D 9.25 4.66 0.00 2.89 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 46 W 8.21 4.69 0.00 3.33 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 47 D 8.06 4.22 0.00 2.63 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 0.00 0.00 0.00 48 P 0.00 4.47 0.00 2.27 2.27 0.00 3.38 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 49 I 8.00 4.39 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.65 0.90 0.00 0.00 50 G 10.14 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 0.00 0.00 0.00 0.00 51 K 7.16 2.48 0.00 1.83 1.91 0.00 1.99 0.00 0.00 1.58 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.57 7.81 52 A 5.80 3.84 0.98 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 0.00 0.00 53 Y 8.62 4.61 0.00 3.13 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 54 V 8.30 4.40 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 0.75 0.00 0.00 0.91 0.00 0.00 *56 S 7.95 4.24 0.00 3.98 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 57 R 8.21 4.47 0.00 2.01 2.01 0.00 3.33 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 58 G 7.96 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 59 I 8.04 4.38 1.89 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 1.14 0.67 0.91 0.00 0.00 60 V 8.73 4.34 2.39 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 0.80 0.00 0.00 1.13 0.00 0.00 61 G 9.02 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 0.00 0.00 0.00 0.00 62 D 8.76 4.84 0.00 2.69 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 63 I 8.72 3.68 1.82 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.84 0.00 0.00 64 N 9.33 4.54 0.00 2.65 2.76 0.00 0.00 6.78 7.65 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 65 G 8.13 4.02 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 0.00 0.00 0.00 66 E 7.62 4.11 0.00 1.90 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 2.23 2.26 0.00 *68 C 8.44 4.63 0.00 3.10 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 69 V 8.33 4.63 1.44 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 0.64 0.00 0.00 0.85 0.00 0.00 70 A 8.79 4.69 1.20 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 0.00 0.00 71 S 8.84 4.36 0.00 4.12 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 72 P 0.00 4.38 0.00 2.17 2.15 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 73 L 7.30 3.80 0.00 1.38 0.93 0.66 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 7.39 4.77 0.00 3.27 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 75 K 8.34 4.16 0.00 1.91 1.88 0.00 1.82 0.00 0.00 0.76 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.37 7.81 76 Q 7.31 4.38 0.00 2.24 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 77 H 8.19 5.07 0.00 2.92 3.06 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.12 5.28 0.00 2.92 2.92 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 79 S 8.83 4.90 0.00 3.87 3.82 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 80 L 8.40 3.81 0.00 1.14 1.29 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.36 3.85 0.00 1.06 1.59 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.59 1.62 7.81 82 S 8.43 4.51 0.00 3.77 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 83 G 9.40 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.77 4.19 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 85 C 8.15 4.46 0.00 3.16 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 86 L 8.09 4.13 0.00 1.68 1.41 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.42 3.76 0.00 1.97 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 2.27 2.27 0.00 88 D 8.23 5.28 0.00 2.66 2.57 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 0.00 0.00 0.00 0.00 89 E 8.83 3.80 0.00 1.92 1.96 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 2.29 2.41 0.00 90 A 6.69 3.73 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 91 H 7.76 5.08 0.00 3.36 3.42 0.00 5.64 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 92 C 8.45 5.14 0.00 3.01 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 93 L 8.93 4.58 0.00 1.70 1.60 0.64 -0.21 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 10.04 4.38 0.00 1.80 1.81 0.00 1.41 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.89 7.81 95 T 8.15 5.47 4.38 0.00 0.00 0.00 0.00 0.00 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 96 W 9.22 4.78 0.00 3.33 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 97 R 8.73 4.39 0.00 1.94 1.99 0.00 3.18 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 98 V 8.85 5.47 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 1.18 0.00 0.00 1.15 0.00 0.00 99 T 8.58 4.68 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 100 V 7.98 5.07 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 1.01 0.00 0.00 0.94 0.00 0.00 101 D 8.46 4.86 0.00 2.63 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 0.00 0.00 0.00 102 D 8.80 4.44 0.00 2.62 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 0.00 103 N 7.74 4.78 0.00 2.69 2.89 0.00 0.00 5.60 7.44 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 0.00 104 Q 8.16 4.61 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.15 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 105 V 8.06 4.25 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 0.97 0.00 0.00 0.86 0.00 0.00 106 C 9.35 6.11 0.00 2.86 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 0.00 107 Y 7.92 5.94 0.00 3.28 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 0.00 108 L 9.04 5.07 0.00 1.63 1.66 0.96 0.85 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 0.00 109 A 8.13 4.29 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 * Residues marked with a * may have inaccurate shift predictions.