NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4737 8.3231 115.4266 58.9151 64.1780 173.2646 7 G 3.7563 8.9548 108.2644 44.4633 0.0000 172.9677 8 W 4.0592 8.0041 120.6162 56.7074 30.4809 174.1363 9 V 3.6903 8.4211 122.6438 62.0409 31.2899 175.2158 10 A 4.3835 7.8254 129.3638 50.9975 22.4363 176.2983 11 F 4.9770 8.4416 122.1911 56.3287 38.5308 175.1908 12 D 5.0440 7.8722 115.9973 53.0767 40.0700 177.4298 13 K 4.7751 7.7200 117.8701 56.4864 33.4155 176.6474 14 Q 4.1296 8.3170 117.1294 55.4063 29.3979 176.9171 15 V 3.5367 7.8220 120.6529 62.1245 32.0201 175.1524 16 L 4.6450 8.4983 122.9786 53.1442 42.8148 175.5597 17 S 5.2569 8.5018 117.0591 56.5329 66.1617 172.8391 18 F 5.1131 9.5571 121.7712 55.7543 42.6413 173.6904 19 D 5.2301 9.0783 123.0917 53.3652 42.4326 175.6030 20 A 5.7914 9.5391 124.5861 50.9409 23.6967 173.7255 21 Y 5.6590 9.0425 116.2965 56.2219 42.1042 173.8316 22 L 4.6109 8.9220 118.6916 54.7271 44.3509 173.9124 23 E 5.0167 8.5281 119.5800 54.8095 31.5862 175.3560 24 E 4.2853 9.2323 126.6686 55.4806 30.5810 174.9338 25 E 4.9451 8.7430 127.8459 54.9050 31.1953 175.8409 26 V 4.1528 8.6073 126.3860 61.1845 33.2654 174.5883 27 L 4.5763 8.5891 131.0838 54.5041 42.6717 175.8559 28 D 4.7554 9.4639 128.4799 52.8922 42.1116 178.4449 29 K 3.9059 8.4364 130.1761 57.4693 30.1012 178.2119 30 S 4.5478 9.1678 123.6353 58.9780 64.2382 173.5794 31 Q 4.4634 7.9495 123.8036 54.9412 30.0480 173.8211 32 T 5.0272 8.4378 121.1404 62.0846 70.6719 173.3462 33 N 5.2648 8.8688 124.1591 52.2013 41.7017 173.3417 34 Y 5.9719 8.2015 117.2671 56.9206 41.1460 173.6313 35 R 4.4556 8.4667 114.8374 54.7723 33.3941 173.5326 36 I 4.8514 8.2861 120.7641 59.9882 39.1283 175.2981 37 R 4.6257 8.8124 125.0223 54.5329 33.6117 173.9951 38 Y 5.4043 8.5019 120.3025 56.7179 40.5193 174.3367 39 Y 5.2305 9.8173 120.7903 56.1520 43.0542 174.0635 40 K 5.0407 9.2884 123.0164 54.9332 34.8343 174.7033 41 I 4.9341 9.3218 128.8414 60.0177 39.5361 174.0742 42 Y 5.3204 9.2607 125.3345 56.2490 40.4366 174.4344 43 F 4.8530 8.9770 126.3840 56.4936 42.5130 173.3761 44 Y 4.5710 8.1722 124.8459 55.8009 38.2765 175.0377 45 P 4.5133 0.0000 0.0000 65.2167 31.9392 177.9373 46 E 4.1437 8.4400 118.6881 58.6480 29.5889 176.8881 47 D 4.7973 7.5589 113.2219 52.0424 40.3032 174.6608 48 D 4.0910 8.0120 117.6755 55.8279 39.0473 173.7284 49 T 4.4450 7.1491 107.9775 60.6295 71.5497 173.4909 50 I 5.1347 8.4481 122.4953 59.7698 41.6181 174.4205 51 Q 4.9796 9.0330 124.8498 54.6322 33.0581 173.6407 52 V 5.0587 8.7533 124.5622 61.1690 35.1077 173.8926 53 N 5.4644 9.0749 123.6474 51.4282 41.0243 173.2404 54 E 4.6330 8.8069 122.7341 53.5314 29.7617 174.3685 55 P 4.2430 0.0000 0.0000 65.4834 32.4714 177.8329 56 E 3.7737 8.3035 115.7453 58.4979 28.5930 176.8229 *62 L 4.2762 8.5679 120.8111 53.7693 44.5366 177.2182 63 L 3.9504 7.9861 118.8321 55.4905 41.8628 176.6718 64 Q 4.5149 8.5791 122.1822 55.5043 30.7428 175.4803 65 G 4.0372 8.7471 106.9685 46.8204 0.0000 174.6282 66 T 4.7099 8.0920 110.0874 61.9496 70.1550 174.0633 67 S 5.2154 7.7484 114.6354 57.7591 65.9960 174.1836 68 I 4.7533 8.6996 121.7901 59.2511 40.4455 175.7046 69 R 4.3858 8.7002 123.4743 55.7622 30.5714 176.2501 70 R 4.3673 8.5129 121.3171 57.2452 30.5719 175.0836 71 H 4.4606 8.5202 120.5115 54.9396 32.4106 173.3443 72 R 4.1978 8.4519 118.5925 56.0122 30.6793 176.1246 73 I 4.6173 8.2221 124.3940 59.4438 39.5063 175.3532 74 T 4.4876 8.7280 117.4614 61.5042 69.6138 174.3484 75 L 3.7366 8.5087 124.1009 53.7727 43.1683 175.2239 76 P 4.5160 0.0000 0.0000 61.4383 32.2769 174.0249 77 P 4.5729 0.0000 0.0000 62.7270 31.5692 174.3615 78 P 4.7452 0.0000 0.0000 63.1178 31.6157 175.7576 79 D 5.0018 7.8679 118.0872 54.8116 41.1433 177.8514 80 E 4.2870 8.4056 117.0359 57.2247 29.4385 177.5048 81 D 4.4188 7.7305 117.7461 54.0185 40.3510 175.7676 82 Q 4.5815 7.8048 118.9837 54.1542 32.5596 174.3870 83 F 5.4648 8.3739 118.5026 55.7182 42.0029 175.3104 84 Y 4.2835 9.1317 119.5231 58.4951 38.5792 175.7339 85 T 5.1474 8.8964 112.3068 59.3383 72.2235 175.2923 86 V 2.6144 7.9087 120.3000 64.3917 31.2736 177.4855 87 Y 4.2972 7.4720 116.4443 59.7903 37.7137 175.8680 88 H 4.6036 8.2388 116.2717 55.8190 29.3501 174.8476 89 F 4.4274 7.5044 118.7522 55.5505 40.4526 174.4409 90 N 4.7680 7.8769 120.9366 52.5077 41.5662 173.4982 91 V 3.7556 8.3823 122.2713 64.1605 32.0998 176.1404 92 G 4.0099 9.1483 114.5760 46.0797 0.0000 172.9733 93 T 4.7304 7.5603 115.3195 61.4401 71.9119 172.9199 94 E 5.0475 8.6267 123.1747 54.8396 32.0453 175.7745 95 V 4.3633 8.3630 115.4291 59.3496 36.0098 174.7156 96 V 4.7690 8.6748 123.5016 61.2300 33.5488 174.8524 97 F 5.1661 8.9980 126.8137 57.2384 41.3377 175.2591 98 Y 3.7176 9.4759 123.9153 59.1611 35.3522 172.1938 99 G 4.0313 8.4898 105.8319 45.5789 0.0000 173.8758 100 R 4.4046 8.0769 119.8392 54.7234 31.7017 175.3119 101 T 4.6871 8.1230 119.2628 62.7090 69.4292 174.0228 102 F 4.5159 9.2223 126.6121 55.7804 41.3600 175.2383 103 K 4.5777 8.5834 123.9862 54.7147 33.6425 175.7330 104 I 4.8016 8.4174 127.8385 61.2618 37.8906 176.2264 105 Y 4.9794 8.5780 123.7550 56.6096 39.6576 174.2268 106 D 4.6267 7.5053 118.7005 54.7364 44.7909 173.6628 107 C 4.7274 8.2635 113.3398 55.7916 31.7258 173.9068 108 D 4.6190 7.7039 119.9531 52.6921 41.2793 177.3334 109 A 3.9634 8.4516 120.8377 55.2852 18.2875 179.4014 110 F 3.9629 8.2264 118.5497 61.8626 39.3829 177.3982 111 T 3.8309 8.4556 115.2975 66.6746 68.1948 177.0116 112 R 3.9196 8.2841 120.3699 59.2862 30.0389 178.9427 113 N 4.2735 8.5525 116.7921 56.0816 38.5651 177.2390 114 F 3.8601 8.0160 122.0091 61.2419 39.4134 177.0870 115 L 3.9617 8.2455 118.8352 57.8347 41.4237 179.5423 116 R 3.9745 7.9453 118.5832 59.4373 29.8128 178.7842 117 K 3.9693 7.7933 117.4140 58.4996 31.9309 178.2360 118 I 4.2461 6.9499 111.4630 60.3237 37.8456 176.4393 119 G 3.8482 7.7498 107.0912 46.1875 0.0000 173.7477 120 V 4.0142 7.8890 119.8630 61.1584 32.3306 175.3551 121 K 4.2664 8.4885 128.6425 54.9525 32.3161 176.1660 122 V 4.0230 8.2488 127.0883 62.5496 32.1068 175.5725 123 N 4.6097 8.9777 125.1469 52.2422 39.0071 173.0352 124 P 4.5700 0.0000 0.0000 61.4928 32.2745 174.3062 125 P 4.3817 0.0000 0.0000 63.0765 31.7383 177.1814 126 V 3.8959 8.4271 113.6610 61.8332 31.5343 176.1993 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 6 S 8.32 4.47 0.00 4.02 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 7 G 8.95 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 8 W 8.00 4.06 0.00 3.28 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 9 V 8.42 3.69 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 0.44 0.00 0.00 0.89 0.00 0.00 10 A 7.83 4.38 1.21 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 0.00 0.00 11 F 8.44 4.98 0.00 3.07 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 12 D 7.87 5.04 0.00 2.86 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 13 K 7.72 4.78 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.50 7.81 14 Q 8.32 4.13 0.00 2.06 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 15 V 7.82 3.54 1.24 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 -0.20 0.00 0.00 -0.23 0.00 0.00 16 L 8.50 4.64 0.00 1.50 1.29 0.53 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.50 5.26 0.00 3.92 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 18 F 9.56 5.11 0.00 3.06 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 19 D 9.08 5.23 0.00 1.82 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 20 A 9.54 5.79 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 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 9.04 5.66 0.00 2.87 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 22 L 8.92 4.61 0.00 1.50 1.37 0.93 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.53 5.02 0.00 1.82 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 2.13 2.47 0.00 24 E 9.23 4.29 0.00 2.09 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 0.00 2.30 2.31 0.00 25 E 8.74 4.95 0.00 1.89 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 2.26 2.39 0.00 26 V 8.61 4.15 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 0.93 0.00 0.00 0.95 0.00 0.00 27 L 8.59 4.58 0.00 1.69 1.59 1.03 1.21 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 28 D 9.46 4.76 0.00 2.69 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 29 K 8.44 3.91 0.00 1.96 1.17 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.36 7.81 30 S 9.17 4.55 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 31 Q 7.95 4.46 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 32 T 8.44 5.03 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 1.26 0.00 0.00 33 N 8.87 5.26 0.00 2.66 2.69 0.00 0.00 6.09 7.09 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 34 Y 8.20 5.97 0.00 3.04 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 35 R 8.47 4.46 0.00 1.77 1.89 0.00 2.92 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 36 I 8.29 4.85 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.39 0.00 0.00 37 R 8.81 4.63 0.00 1.87 1.78 0.00 3.30 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 38 Y 8.50 5.40 0.00 3.00 3.06 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 39 Y 9.82 5.23 0.00 3.15 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 40 K 9.29 5.04 0.00 1.83 1.58 0.00 1.69 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.06 1.52 7.81 41 I 9.32 4.93 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 1.10 0.00 0.00 42 Y 9.26 5.32 0.00 2.88 2.34 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 43 F 8.98 4.85 0.00 2.71 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 Y 8.17 4.57 0.00 2.83 2.77 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 45 P 0.00 4.51 0.00 2.08 2.24 0.00 3.81 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 1.71 2.00 0.00 46 E 8.44 4.14 0.00 1.97 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 2.30 2.33 0.00 47 D 7.56 4.80 0.00 2.65 2.61 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 0.00 48 D 8.01 4.09 0.00 2.86 2.86 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 49 T 7.15 4.44 4.12 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 1.14 0.00 0.00 50 I 8.45 5.13 1.59 0.00 0.00 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 1.22 0.90 0.62 0.00 0.00 51 Q 9.03 4.98 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 52 V 8.75 5.06 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 0.99 0.00 0.00 0.75 0.00 0.00 53 N 9.07 5.46 0.00 2.83 2.76 0.00 0.00 6.30 7.79 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 54 E 8.81 4.63 0.00 1.94 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 2.11 1.93 0.00 55 P 0.00 4.24 0.00 2.09 2.14 0.00 3.93 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 56 E 8.30 3.77 0.00 1.93 1.73 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 2.29 2.34 0.00 *62 L 8.57 4.28 0.00 1.71 1.75 0.92 0.94 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 63 L 7.99 3.95 0.00 1.65 1.66 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.58 4.51 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 65 G 8.75 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 0.00 0.00 0.00 66 T 8.09 4.71 4.30 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 1.31 0.00 0.00 67 S 7.75 5.22 0.00 3.97 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 68 I 8.70 4.75 1.86 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 1.02 0.00 0.00 69 R 8.70 4.39 0.00 1.78 1.90 0.00 2.97 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 70 R 8.51 4.37 0.00 1.89 1.76 0.00 2.21 0.00 0.00 2.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.29 0.00 71 H 8.52 4.46 0.00 3.15 3.25 0.00 5.31 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.45 4.20 0.00 0.84 0.77 0.00 3.03 0.00 0.00 2.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.27 0.00 73 I 8.22 4.62 1.88 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.59 0.90 0.00 0.00 74 T 8.73 4.49 4.11 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 1.04 0.00 0.00 75 L 8.51 3.74 0.00 1.57 1.29 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.52 0.00 2.21 2.22 0.00 3.48 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 77 P 0.00 4.57 0.00 2.04 2.02 0.00 3.65 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 2.02 2.38 0.00 78 P 0.00 4.75 0.00 2.14 2.09 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 79 D 7.87 5.00 0.00 2.59 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 80 E 8.41 4.29 0.00 1.88 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 2.46 2.20 0.00 81 D 7.73 4.42 0.00 2.69 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 82 Q 7.80 4.58 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 83 F 8.37 5.46 0.00 3.02 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 84 Y 9.13 4.28 0.00 3.26 3.31 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 85 T 8.90 5.15 4.57 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 1.53 0.00 0.00 86 V 7.91 2.61 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 0.18 0.00 0.00 0.71 0.00 0.00 87 Y 7.47 4.30 0.00 3.00 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 88 H 8.24 4.60 0.00 3.34 3.31 0.00 5.81 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 7.50 4.43 0.00 2.52 1.63 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 90 N 7.88 4.77 0.00 2.70 2.63 0.00 0.00 6.86 7.71 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 91 V 8.38 3.76 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 1.07 0.00 0.00 1.05 0.00 0.00 92 G 9.15 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.56 4.73 4.33 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 1.16 0.00 0.00 94 E 8.63 5.05 0.00 1.75 1.74 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 2.14 2.26 0.00 95 V 8.36 4.36 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 0.00 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 96 V 8.67 4.77 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 0.86 0.00 0.00 0.90 0.00 0.00 97 F 9.00 5.17 0.00 3.35 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 98 Y 9.48 3.72 0.00 3.27 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 99 G 8.49 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 0.00 100 R 8.08 4.40 0.00 1.94 1.52 0.00 3.21 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 101 T 8.12 4.69 4.08 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 0.00 0.00 1.10 0.00 0.00 102 F 9.22 4.52 0.00 2.49 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 0.00 103 K 8.58 4.58 0.00 0.79 1.44 0.00 1.01 0.00 0.00 1.36 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.19 1.11 7.81 104 I 8.42 4.80 2.16 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 1.37 0.57 1.18 0.00 0.00 105 Y 8.58 4.98 0.00 3.07 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 0.00 106 D 7.51 4.63 0.00 2.81 2.41 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 0.00 107 C 8.26 4.73 0.00 2.80 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 0.00 108 D 7.70 4.62 0.00 2.94 2.83 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 0.00 0.00 0.00 109 A 8.45 3.96 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 0.00 110 F 8.23 3.96 0.00 3.12 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 0.00 111 T 8.46 3.83 4.18 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 0.00 0.00 0.00 0.58 0.00 0.00 112 R 8.28 3.92 0.00 1.96 1.98 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 113 N 8.55 4.27 0.00 2.69 2.73 0.00 0.00 6.63 7.95 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 0.00 114 F 8.02 3.86 0.00 2.79 3.05 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 0.00 115 L 8.25 3.96 0.00 1.90 1.76 1.13 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.95 3.97 0.00 1.95 2.02 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 117 K 7.79 3.97 0.00 1.55 1.64 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.55 7.81 118 I 6.95 4.25 1.85 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.55 0.32 0.00 0.00 119 G 7.75 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 0.00 0.00 0.00 120 V 7.89 4.01 2.24 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 0.84 0.00 0.00 1.05 0.00 0.00 121 K 8.49 4.27 0.00 1.77 1.74 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.43 7.81 122 V 8.25 4.02 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 0.98 0.00 0.00 0.99 0.00 0.00 123 N 8.98 4.61 0.00 3.02 2.78 0.00 0.00 7.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.57 0.00 2.21 2.10 0.00 3.82 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 2.02 2.01 0.00 125 P 0.00 4.38 0.00 2.11 2.12 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 126 V 8.43 3.90 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 0.80 0.00 0.00 1.10 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.