NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 N 4.5939 8.4201 119.2064 53.1894 40.3573 174.1195 14 A 4.1262 7.8489 119.5447 50.2585 19.3002 177.1484 15 F 4.6362 9.3320 119.5325 58.2911 40.6455 173.5525 16 H 4.9066 10.1968 120.7997 55.0888 30.4836 173.9668 17 D 5.5618 8.6876 121.5369 53.0949 43.2486 175.6106 18 F 4.9561 8.9918 122.7062 57.3575 43.3920 172.6697 19 Q 5.0950 7.5976 123.8417 54.1378 31.2116 174.8458 20 A 4.6619 8.4497 123.5744 50.3210 22.8547 175.1730 21 R 4.5148 8.6352 122.1199 55.3393 31.7338 175.7158 22 V 4.2525 8.2182 125.6458 62.7176 33.1093 174.7465 23 Y 5.1538 9.0593 125.2489 55.9639 41.3673 176.7556 24 V 3.5752 8.7128 118.3191 66.3070 31.7007 177.9314 25 A 4.0816 8.1225 121.1943 54.9713 18.3484 177.6327 26 D 4.6172 8.2248 114.6547 55.1630 41.3665 176.2003 27 T 5.0063 7.6689 109.6380 59.7995 71.2400 172.6696 28 D 5.1761 8.6217 121.6438 50.9325 42.2839 176.6136 29 F 4.3080 9.2703 113.4148 59.8293 37.6612 176.0824 30 S 3.9146 8.0748 114.3070 58.1864 62.8600 174.6409 31 G 3.9320 8.3438 110.7286 45.1348 0.0000 173.7924 32 V 4.4689 7.2053 112.0879 59.1873 35.0190 175.0460 33 V 4.1536 7.9978 121.5767 63.0661 31.9374 175.4273 34 Y 4.4144 9.0031 129.9271 57.8871 39.2022 176.6812 35 H 4.2518 8.2512 121.9015 58.8441 28.5313 177.7401 36 A 4.0105 6.3001 122.7240 54.7879 18.2306 179.6228 37 R 3.8429 7.8794 116.7789 59.4299 29.9653 178.6095 38 Y 4.4755 7.5435 115.3833 61.2302 37.8236 178.7707 39 L 4.3678 8.2684 119.9035 57.7641 41.6419 179.3445 40 E 4.0023 8.1858 118.8759 59.2106 29.3057 179.3752 41 F 4.4616 7.7484 117.4232 60.7134 39.1253 177.5874 42 F 4.5646 8.4696 117.6324 60.6997 38.6797 177.3533 43 E 4.0259 8.6327 119.0122 59.1849 29.3208 179.0063 44 R 4.0258 8.2080 118.4149 59.2182 30.2293 178.9670 45 G 3.9976 8.2073 106.7335 47.4857 0.0000 175.7896 46 R 4.0628 8.2689 120.7363 59.0197 29.9879 179.4314 47 S 4.1887 8.1872 114.9603 61.5065 62.8416 176.5702 48 E 3.8532 8.3364 121.6459 58.9029 28.8369 178.7317 49 F 3.8568 8.4755 120.4866 61.4765 39.6836 176.7788 50 L 4.1454 8.1670 118.1099 57.8600 41.4827 179.2711 51 R 3.8481 8.2456 118.8395 59.9104 29.7861 178.0924 52 D 4.5662 8.1679 117.0316 56.5131 40.8879 177.8439 53 T 4.3978 7.6168 108.1648 60.6935 69.6409 174.3848 54 G 3.6738 8.6195 112.3957 47.2160 0.0000 174.3458 *55 F 4.4503 7.7275 117.0448 54.3970 40.1315 177.2408 *67 E 4.1486 8.3336 115.5848 57.1125 30.2994 176.0750 68 K 4.0603 8.4260 123.0765 56.2103 33.4786 175.8028 69 L 4.9998 7.7890 122.0488 52.9519 44.7526 175.9330 70 F 4.8376 8.6577 120.0783 55.4912 43.2928 174.4685 71 F 4.8321 8.8151 120.8692 57.6451 39.9302 174.9691 72 V 4.5272 8.9655 121.6960 61.0135 35.1023 174.4966 73 V 4.1175 8.4205 127.2297 63.0550 31.4945 175.5687 74 R 4.3248 8.8529 127.7927 58.4883 31.2214 176.6214 75 H 4.8745 7.7336 116.9355 54.9458 33.6448 171.9132 76 M 5.0858 8.1760 123.7842 53.9612 35.4643 173.2102 77 E 4.6536 9.0096 126.9881 54.4207 32.1920 174.4842 78 I 4.7905 8.3093 126.7633 59.2904 40.9179 174.2805 79 N 4.7021 8.8796 124.8882 51.9360 41.2244 173.3955 80 F 4.7492 8.8763 126.1609 56.8868 38.8728 175.3374 81 S 4.5949 8.9432 118.0603 59.4798 63.0993 174.3226 82 R 4.7525 7.6457 118.0229 53.2529 33.3565 173.0364 83 P 4.7992 0.0000 0.0000 62.7530 32.5494 175.7859 84 A 4.5554 9.1174 124.2122 51.8867 20.2091 176.3687 85 Q 5.0035 9.5585 119.0451 53.3817 33.0336 175.1082 86 I 3.7506 8.0426 120.6653 62.6188 38.4051 175.7058 87 D 4.7019 8.7259 127.1384 53.9286 40.1210 174.8655 88 N 4.2075 7.4884 117.2379 53.4079 39.6583 174.2053 89 L 4.4531 8.3905 125.7986 54.1009 42.3746 175.9534 90 L 4.4660 8.8340 127.6184 54.6215 43.5447 176.1626 91 T 4.9678 9.2217 119.1736 61.9097 71.3188 173.2662 92 I 4.9586 9.1919 127.8895 59.6078 39.8298 174.6372 93 K 5.2817 9.5003 127.6356 55.0776 34.5482 175.5754 94 T 5.5160 9.4881 122.0095 61.9031 72.5165 173.3329 95 R 4.9245 8.6329 120.9305 54.7703 33.5336 174.1801 96 I 4.3630 8.2193 122.1108 61.3161 36.9700 175.9189 97 S 4.4745 9.1276 123.5888 60.3583 64.4035 174.9536 98 R 4.6441 7.8953 119.4280 55.0040 33.2689 173.7395 99 L 5.1052 8.7482 130.1429 54.8325 44.1840 177.2282 100 Q 4.6138 8.8913 122.8914 53.7222 29.2460 176.9536 101 G 4.2448 8.7064 115.6756 47.2307 0.0000 176.0913 102 A 4.4529 7.8859 120.2762 52.4294 20.0396 176.1283 103 R 5.0631 7.6458 110.3908 55.1197 33.8096 173.7406 104 F 5.5087 8.6648 113.1353 55.4333 42.1076 173.3686 105 F 5.2077 9.3488 117.4404 55.9368 42.4572 174.2713 106 M 5.2905 9.2586 122.5612 53.4100 35.3825 174.2666 107 E 4.9687 8.8157 121.3368 54.9463 32.3747 175.0005 108 Q 5.1222 8.9653 120.6958 54.6155 33.6537 173.7185 109 Y 5.3993 9.2353 118.1298 56.5319 42.9838 174.2493 110 I 5.0436 9.1749 123.1988 59.6099 40.3156 174.6253 111 L 5.0703 9.1977 126.8644 53.1572 45.6397 175.4750 112 H 4.6437 8.9256 122.8922 55.5138 30.7118 177.3648 113 G 3.8727 8.8418 119.0524 46.7690 0.0000 173.6437 114 E 4.3023 9.1328 123.1594 56.9121 31.2189 176.4029 115 S 4.1225 7.6530 114.9349 58.1710 62.9174 172.3291 116 M 4.6011 8.4977 127.3315 54.7595 33.2758 174.5103 117 L 4.6209 8.8516 125.5681 55.3176 44.0588 176.7190 118 V 4.9515 7.4396 117.4457 61.6168 35.1593 172.7331 119 T 5.0717 8.7673 117.0604 59.8953 71.9557 172.7097 120 A 4.8072 8.4946 124.4141 50.1521 23.2642 174.8581 121 K 4.8637 8.5986 120.3043 54.4589 34.8673 175.7920 122 V 4.8123 8.7568 124.7727 59.7375 34.7212 173.9601 123 E 4.3329 8.7948 124.9950 54.4291 31.7021 174.4366 124 I 4.7310 8.0656 127.0746 59.3973 40.5428 174.8418 125 A 5.0385 8.6754 128.4566 50.1417 22.6428 174.5565 126 L 5.1563 8.3537 120.3370 53.3557 45.0164 175.2429 127 I 5.1423 8.5219 118.6212 59.3790 41.9745 173.5466 128 N 5.6114 8.5021 122.2377 50.7747 39.8011 175.9332 129 E 4.0759 9.2955 116.3936 59.9090 29.7439 175.3792 130 E 4.1623 8.3080 113.4327 58.7357 30.0623 179.7104 131 G 3.7254 7.4617 107.3610 45.6442 0.0000 174.4542 132 K 4.3507 7.9377 122.8278 52.7567 32.8004 179.5582 133 P 5.0021 0.0000 0.0000 62.6455 32.3303 175.7728 134 R 4.5657 8.4905 120.7777 56.3018 33.7991 175.2626 135 R 4.7205 8.5058 119.0377 55.9319 32.8163 172.4989 136 L 4.4402 7.5491 118.6889 54.2192 43.7028 175.9591 137 P 4.4226 0.0000 0.0000 63.6726 31.2056 176.3301 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 N 8.42 4.59 0.00 2.69 2.86 0.00 0.00 6.99 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 14 A 7.85 4.13 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 15 F 9.33 4.64 0.00 3.05 3.12 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 16 H 10.20 4.91 0.00 3.59 3.39 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.69 5.56 0.00 2.62 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 18 F 8.99 4.96 0.00 3.24 3.01 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 19 Q 7.60 5.09 0.00 1.65 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.47 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 20 A 8.45 4.66 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 21 R 8.64 4.51 0.00 1.65 1.66 0.00 3.01 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.90 0.00 22 V 8.22 4.25 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 0.82 0.00 0.00 23 Y 9.06 5.15 0.00 2.93 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 24 V 8.71 3.58 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 1.00 0.00 0.00 0.99 0.00 0.00 25 A 8.12 4.08 1.30 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 0.00 0.00 26 D 8.22 4.62 0.00 3.03 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 27 T 7.67 5.01 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 1.28 0.00 0.00 28 D 8.62 5.18 0.00 3.11 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 29 F 9.27 4.31 0.00 3.20 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 30 S 8.07 3.91 0.00 3.70 3.32 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 31 G 8.34 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 32 V 7.21 4.47 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 0.76 0.00 0.00 0.97 0.00 0.00 33 V 8.00 4.15 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 0.15 0.00 0.00 0.95 0.00 0.00 34 Y 9.00 4.41 0.00 3.08 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 35 H 8.25 4.25 0.00 2.53 3.05 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.30 4.01 1.26 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 0.00 0.00 0.00 37 R 7.88 3.84 0.00 1.83 1.78 0.00 3.28 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.03 0.00 38 Y 7.54 4.48 0.00 3.30 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 39 L 8.27 4.37 0.00 2.04 1.84 1.23 1.02 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 40 E 8.19 4.00 0.00 1.73 1.79 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 2.28 2.24 0.00 41 F 7.75 4.46 0.00 3.17 2.94 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 42 F 8.47 4.56 0.00 3.31 3.15 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 43 E 8.63 4.03 0.00 2.12 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 2.36 2.40 0.00 44 R 8.21 4.03 0.00 2.39 2.20 0.00 3.27 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 45 G 8.21 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 0.00 0.00 0.00 46 R 8.27 4.06 0.00 2.02 1.95 0.00 3.02 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.96 0.00 47 S 8.19 4.19 0.00 3.83 3.88 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 48 E 8.34 3.85 0.00 1.62 1.65 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 1.80 1.47 0.00 49 F 8.48 3.86 0.00 3.10 3.27 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 50 L 8.17 4.15 0.00 2.04 1.72 0.82 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.25 3.85 0.00 1.90 2.08 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 52 D 8.17 4.57 0.00 2.63 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 53 T 7.62 4.40 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 0.80 0.00 0.00 54 G 8.62 3.67 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 0.00 0.00 0.00 *55 F 7.73 4.45 0.00 2.30 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 0.00 0.00 0.00 0.00 *67 E 8.33 4.15 0.00 2.09 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 2.16 2.31 0.00 68 K 8.43 4.06 0.00 1.70 1.13 0.00 1.68 0.00 0.00 2.01 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.42 7.81 69 L 7.79 5.00 0.00 1.20 1.28 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.66 4.84 0.00 2.88 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 71 F 8.82 4.83 0.00 3.11 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 72 V 8.97 4.53 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 0.93 0.00 0.00 0.97 0.00 0.00 73 V 8.42 4.12 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 0.76 0.00 0.00 0.90 0.00 0.00 74 R 8.85 4.32 0.00 1.71 1.91 0.00 3.34 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 75 H 7.73 4.87 0.00 3.12 3.04 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.18 5.09 0.00 1.93 1.78 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 77 E 9.01 4.65 0.00 2.05 1.69 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 2.15 2.23 0.00 78 I 8.31 4.79 1.53 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 1.12 0.49 0.16 0.00 0.00 79 N 8.88 4.70 0.00 2.67 2.56 0.00 0.00 7.01 7.60 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 80 F 8.88 4.75 0.00 2.95 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 81 S 8.94 4.59 0.00 3.89 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 82 R 7.65 4.75 0.00 1.98 1.77 0.00 3.29 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 83 P 0.00 4.80 0.00 2.13 2.11 0.00 3.78 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 2.01 2.00 0.00 84 A 9.12 4.56 1.37 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 0.00 0.00 0.00 85 Q 9.56 5.00 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 86 I 8.04 3.75 1.87 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 1.38 0.73 0.90 0.00 0.00 87 D 8.73 4.70 0.00 2.78 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 88 N 7.49 4.21 0.00 2.50 2.45 0.00 0.00 6.46 7.96 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 89 L 8.39 4.45 0.00 1.56 1.57 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.83 4.47 0.00 1.37 1.35 0.40 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 91 T 9.22 4.97 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 1.21 0.00 0.00 92 I 9.19 4.96 2.23 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 1.15 0.00 0.00 93 K 9.50 5.28 0.00 1.65 1.63 0.00 1.33 0.00 0.00 1.92 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.39 7.81 94 T 9.49 5.52 4.53 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 1.13 0.00 0.00 95 R 8.63 4.92 0.00 1.71 1.81 0.00 2.47 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.45 0.00 96 I 8.22 4.36 1.91 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 1.20 0.03 1.04 0.00 0.00 97 S 9.13 4.47 0.00 3.82 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 98 R 7.90 4.64 0.00 1.73 1.60 0.00 3.05 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 99 L 8.75 5.11 0.00 1.69 1.60 0.94 0.68 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 0.00 100 Q 8.89 4.61 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.64 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 101 G 8.71 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 0.00 0.00 0.00 102 A 7.89 4.45 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 0.00 103 R 7.65 5.06 0.00 1.76 1.91 0.00 2.84 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 104 F 8.66 5.51 0.00 3.05 3.08 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 0.00 105 F 9.35 5.21 0.00 3.15 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 0.00 106 M 9.26 5.29 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 107 E 8.82 4.97 0.00 1.94 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 2.28 2.61 0.00 108 Q 8.97 5.12 0.00 1.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.21 0.00 109 Y 9.24 5.40 0.00 2.75 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 0.00 110 I 9.17 5.04 1.70 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.48 0.82 0.00 0.00 111 L 9.20 5.07 0.00 1.52 1.62 0.87 0.69 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 0.00 112 H 8.93 4.64 0.00 3.18 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.84 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 0.00 0.00 0.00 114 E 9.13 4.30 0.00 1.91 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 2.19 2.23 0.00 115 S 7.65 4.12 0.00 3.78 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 0.00 116 M 8.50 4.60 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 117 L 8.85 4.62 0.00 1.69 1.70 0.95 1.00 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 0.00 118 V 7.44 4.95 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 0.67 0.00 0.00 0.04 0.00 0.00 119 T 8.77 5.07 3.98 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 1.32 0.00 0.00 120 A 8.49 4.81 0.18 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 0.00 0.00 0.00 121 K 8.60 4.86 0.00 1.66 1.69 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.23 7.81 122 V 8.76 4.81 1.88 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 0.66 0.00 0.00 0.80 0.00 0.00 123 E 8.79 4.33 0.00 1.74 1.66 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 1.81 1.47 0.00 124 I 8.07 4.73 0.56 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 0.61 0.20 0.72 0.00 0.00 125 A 8.68 5.04 1.19 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 0.00 0.00 126 L 8.35 5.16 0.00 1.74 1.48 0.24 0.70 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 0.00 127 I 8.52 5.14 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 0.92 0.00 0.00 128 N 8.50 5.61 0.00 3.00 2.99 0.00 0.00 7.00 7.66 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 0.00 129 E 9.30 4.08 0.00 2.01 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 2.24 1.90 0.00 130 E 8.31 4.16 0.00 1.98 1.89 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 2.23 1.87 0.00 131 G 7.46 3.73 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 0.00 0.00 0.00 132 K 7.94 4.35 0.00 1.69 1.69 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.02 7.81 133 P 0.00 5.00 0.00 1.93 2.02 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 134 R 8.49 4.57 0.00 1.61 1.79 0.00 3.27 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 135 R 8.51 4.72 0.00 1.56 1.68 0.00 3.26 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.19 0.00 136 L 7.55 4.44 0.00 1.82 1.71 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.42 0.00 2.03 1.97 0.00 3.71 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 2.02 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.