NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Y 4.5612 8.1293 121.6927 57.9015 39.9501 173.8835 8 Y 4.4446 6.1913 121.6346 55.4746 40.7338 172.7973 9 D 4.1846 9.4122 122.2411 56.1656 42.9498 178.1541 10 Y 4.8977 7.5739 114.1661 56.0324 42.5919 174.0405 11 L 4.6935 8.7773 124.9296 53.4070 44.0179 175.2690 12 F 5.2350 8.8815 125.8393 55.7062 41.3566 174.6723 13 K 4.9047 8.8116 126.3686 56.0028 33.5998 175.3886 14 I 5.1854 9.2477 128.2710 59.6473 40.7950 174.7704 15 V 4.8849 8.5290 119.6330 59.5901 34.4964 174.5431 16 L 5.2904 8.8505 125.0641 53.1836 43.1858 176.1008 17 I 4.3519 9.8906 117.1786 58.1891 41.0751 175.1511 18 G 3.9473 7.2677 112.2679 43.8507 0.0000 171.8445 19 D 4.7341 8.1177 119.6102 54.1306 41.4010 176.6083 20 S 4.1545 8.4785 116.5938 59.9295 62.8336 174.7045 21 G 4.0349 8.9066 115.0858 45.4667 0.0000 174.6040 22 V 3.7273 7.0997 111.4608 62.4591 31.9068 176.8010 23 G 4.1659 8.5548 108.3141 45.5345 0.0000 175.7311 24 K 3.9611 8.5342 121.5487 59.4727 32.0580 179.3129 25 S 4.1890 8.0371 113.8053 61.3977 62.9182 175.8326 26 N 4.7191 7.9777 120.6483 54.8858 38.5021 177.2196 27 L 4.2004 8.3386 121.1333 57.5752 41.6633 179.2617 28 L 4.0065 8.0520 120.5893 58.2341 42.0116 179.2375 29 S 4.1445 8.1271 114.2964 61.1837 62.8235 176.4931 30 R 4.0006 8.1412 122.5307 59.2353 29.6819 178.2862 31 F 4.2489 8.0395 119.6288 61.3508 39.4452 176.7857 32 T 3.8935 7.6662 108.3683 63.1546 69.0469 175.5249 33 R 4.4066 7.4116 113.6987 54.3230 30.7443 174.1459 34 D 4.5044 7.7330 116.4324 55.9065 40.2057 172.8770 35 E 4.8821 8.0683 114.0693 54.3294 32.8873 175.5473 36 F 5.0161 8.4569 122.1492 56.5235 42.6650 173.4104 37 N 4.9700 8.1424 123.9198 50.9474 39.6412 174.6765 38 L 4.1987 8.5006 121.4294 56.7788 42.3568 177.3449 39 E 4.2411 7.7653 115.3344 55.5218 30.4873 176.5376 40 S 4.4008 8.6350 118.2864 58.8785 64.5061 175.9567 *41 K 4.7559 7.8605 117.2020 52.0916 33.6221 176.7283 *45 G 4.0667 9.2264 105.2435 47.1683 0.0000 173.2112 46 V 5.1781 9.1344 116.5066 60.8023 34.8331 174.4319 47 E 5.0920 9.2901 125.4119 54.5287 32.8123 174.6712 48 F 5.1080 8.1649 114.4929 55.4495 41.3682 173.1831 49 A 4.3320 8.3324 119.5387 51.0524 22.7732 175.3309 50 T 5.1342 8.0987 108.5738 60.0390 72.1885 173.1902 51 K 4.5006 8.6571 122.9072 55.3241 36.0497 174.8716 52 S 5.1687 8.5024 122.2048 57.5140 64.7530 173.5959 53 I 4.7034 8.5850 122.9040 59.7079 41.4440 174.1216 54 Q 4.7815 8.7504 124.4585 54.4852 30.4623 175.2972 55 L 4.6656 8.3453 124.8659 52.6995 44.1841 176.3425 56 K 4.1640 8.3556 118.3831 57.5858 32.5764 176.8754 57 N 4.8283 9.2001 114.6577 54.5745 35.6321 174.2535 58 N 4.3220 8.3240 111.9257 54.4943 35.8964 174.0576 59 K 4.9553 7.4488 116.2677 54.9341 35.0998 175.7056 60 I 4.9643 8.8705 123.4438 59.6109 40.9203 174.3648 61 I 4.6451 8.6230 127.3853 59.2784 40.1009 174.4955 62 K 4.5943 8.3781 128.5818 54.7321 33.3964 175.1185 63 A 4.7022 8.8628 131.2192 51.6524 20.0707 175.6884 64 Q 4.8047 9.4431 124.1857 54.5256 31.7923 174.0381 65 I 5.2562 8.7826 128.1949 59.3704 40.1940 175.0348 66 W 5.6643 9.3232 125.8424 55.1739 33.1316 174.0885 67 D 5.5763 9.4497 121.4047 51.9812 43.0903 173.7587 68 T 5.2128 8.2223 107.5814 59.5928 71.7147 173.5886 69 A 4.0392 8.8784 126.1985 51.6772 19.4420 178.0445 *70 G 3.6563 8.4174 106.1981 45.2945 0.0000 172.8449 *76 A 4.2817 8.1384 123.1812 51.9917 20.1349 176.8457 77 I 4.1726 7.8757 111.9491 61.9100 38.3204 177.8583 78 T 3.9627 7.7498 118.4689 67.0193 68.5911 175.7838 79 S 4.1598 8.2706 114.2251 61.7858 62.1297 176.1598 80 A 4.0088 7.9461 121.1848 55.0629 18.0597 178.4724 81 Y 3.8603 8.6302 118.4851 61.1358 38.9094 177.9455 82 Y 3.9355 8.0641 117.0527 59.1026 38.0517 176.0192 83 R 4.0476 7.1686 119.8354 57.8986 30.4035 176.7908 84 G 3.9131 8.9321 112.8006 45.3343 0.0000 173.4126 85 A 4.2170 7.6790 123.4116 52.4522 18.9436 177.6090 86 V 4.2501 8.7034 115.3817 61.4028 33.9283 175.6856 87 G 4.6246 7.8534 106.3463 44.8534 0.0000 171.2158 88 A 5.2810 9.0342 120.5151 50.3875 23.3086 175.1621 89 L 4.9311 8.7394 120.7214 53.0379 44.3568 175.7862 90 L 4.8407 8.9635 125.3275 53.7471 42.6460 175.6298 91 V 5.0298 8.8977 125.6427 61.1467 34.0081 174.1588 92 Y 5.0255 8.8924 124.9495 55.3349 42.4482 173.2758 93 D 5.2331 8.9626 119.0142 52.4748 42.6849 177.2431 94 I 4.0851 8.6549 127.8100 63.9281 37.3107 177.6173 95 T 4.4816 8.3054 108.5957 60.8586 69.4083 174.6716 96 K 4.5098 8.0372 122.7893 54.1349 34.1036 176.4575 97 K 3.9368 8.9351 125.6696 59.9038 32.0572 178.3095 98 N 4.6165 8.2491 116.1435 56.1636 38.2170 177.3913 99 S 4.8094 7.7719 116.7247 60.8307 63.3454 176.0541 100 F 4.0572 8.2340 123.9056 60.9489 39.1204 176.8960 101 E 3.7145 8.2579 118.2986 59.3588 29.3353 178.7063 102 N 4.4941 8.5312 115.5603 54.8884 38.5182 177.1741 103 I 3.9744 7.4355 122.3868 64.3148 37.1751 177.7996 104 E 4.0910 7.4686 118.3932 58.7924 29.2825 179.5797 105 K 3.8006 7.7103 118.7502 58.9793 32.2176 179.2513 106 W 4.4947 7.7858 119.1432 59.7207 28.9014 178.3528 107 L 4.0707 8.4271 120.5824 57.9765 41.4659 178.8787 108 K 3.8591 7.9453 119.1602 59.4274 32.0257 178.2357 109 E 3.8654 8.1206 119.3742 59.1830 29.5867 178.5184 110 L 3.4940 8.0350 120.1399 58.2693 41.9922 179.2137 111 R 3.9885 7.9016 116.6272 59.3419 30.0342 178.5819 112 D 4.4682 8.1594 117.7531 56.3418 40.8343 176.9187 113 N 4.7181 7.2980 112.6627 52.9957 41.0796 174.7115 114 A 4.4313 7.9415 120.2602 50.4459 20.3104 176.4563 115 D 4.4652 8.3918 119.1738 54.2822 41.7676 177.8867 116 S 4.1818 8.5638 119.5720 60.9185 63.2837 174.5749 117 N 4.6623 8.2786 117.0649 52.8571 38.4463 174.8268 118 I 3.8400 7.2927 119.4850 61.6765 38.6950 175.3163 119 V 4.1018 8.3707 129.2226 62.1405 32.8275 174.5268 120 I 4.9848 8.3623 128.0163 59.3482 40.0739 174.4474 121 L 4.8588 8.5565 128.5021 53.0489 45.0435 174.7882 122 L 4.8684 8.9997 129.1353 54.5940 43.6725 175.3242 123 V 5.1809 8.7813 126.3252 60.1286 34.5890 174.3237 124 G 3.2727 8.7239 115.6490 44.8129 0.0000 172.4239 125 N 5.2280 8.5232 125.9356 51.1943 42.0073 174.3395 126 K 3.8873 8.5269 116.9872 57.5126 28.8676 178.8266 127 S 4.2377 8.1018 115.4474 60.9004 63.1700 175.2385 128 D 4.3984 8.0375 119.7710 55.7290 39.9289 176.7731 129 L 4.4774 7.6771 123.2224 53.3202 40.2636 177.7809 130 K 3.9633 7.9004 121.1743 60.1377 33.1613 179.4418 131 H 4.3517 8.3622 113.3606 57.1802 28.5887 175.5816 132 L 4.4591 7.7672 119.3966 53.9208 42.3513 176.1138 133 R 4.1310 7.4736 119.3044 57.1521 30.1492 176.3663 134 V 4.2964 8.5945 116.2183 60.6076 33.6023 175.4540 135 I 4.1264 7.5534 120.6937 59.2871 37.9916 175.6675 136 N 4.6014 8.3003 123.8829 52.7635 40.5052 176.0624 137 D 4.6551 8.7234 124.0148 56.4775 39.7086 178.6044 138 N 4.3949 8.1530 118.3705 55.9375 37.2601 176.9176 139 D 4.3009 7.9960 120.5513 57.0019 41.0375 178.3128 140 A 3.9501 7.5959 120.8166 55.3751 18.2234 179.7234 141 T 3.8183 7.9570 114.2569 66.9643 68.5496 176.8190 142 Q 4.0065 8.0547 119.6797 58.9592 28.1756 178.2288 143 Y 4.1853 7.9035 120.4625 60.6910 38.9118 177.8119 144 A 3.8175 7.9955 121.6174 55.2357 18.4213 179.7919 145 K 3.9539 8.2281 116.9820 59.3310 31.8649 179.3799 146 K 3.8650 7.8741 119.0097 59.3054 32.2203 177.7904 147 E 4.1492 7.8677 115.2909 54.9609 30.2897 175.9917 148 K 3.8218 7.5852 117.1228 57.9436 30.0161 175.1052 149 L 4.9452 8.0879 116.7018 52.6075 45.0180 177.9436 150 A 4.4022 8.4819 123.1796 52.1016 20.0381 176.1527 151 F 5.5736 8.5244 120.7712 56.7773 42.8234 173.6926 152 I 4.2015 8.4028 124.7695 59.3420 41.8256 173.0549 153 E 5.0305 8.2779 127.5451 54.9976 31.0023 175.3046 154 T 4.8570 8.7097 113.6900 59.8374 73.0593 172.9713 155 S 4.5957 8.6561 116.0842 56.4002 64.3705 174.5337 156 A 4.1225 8.7565 132.0128 55.0747 18.6400 178.5141 157 L 2.4965 7.8857 116.8136 57.7519 42.0559 177.6843 158 E 4.0835 7.9534 114.2441 55.8208 29.9710 177.1257 159 A 3.8251 8.1300 121.6570 52.0305 17.7336 177.9173 160 T 3.9152 7.6089 113.5483 65.0415 68.8696 174.2759 161 N 4.1214 9.0439 121.4340 54.1668 37.0082 176.3192 162 V 3.6041 7.7233 119.4063 66.0977 31.5420 177.7237 163 E 4.1895 8.2555 118.6172 59.1984 29.5755 178.0469 164 L 3.9113 8.0422 119.6802 58.2086 42.0563 178.5043 165 A 3.8577 8.0891 120.5063 55.4386 18.2619 179.7361 166 F 3.8888 7.8459 115.6891 60.8358 38.7968 177.8530 167 H 4.2262 8.7711 116.5916 58.7467 28.5707 177.8950 168 Q 3.9993 8.3208 119.6736 59.0373 28.4022 178.1629 169 L 3.8975 7.8463 122.3831 57.9503 42.1580 178.9404 170 L 4.1146 8.1508 118.8398 57.9846 41.6530 179.2519 171 N 4.4332 8.4110 116.4209 56.4453 38.5042 177.1321 172 E 3.9554 8.1250 120.1024 59.2472 29.7691 178.6407 173 I 3.4876 7.9129 120.0744 64.5216 37.0166 177.6737 174 Y 4.1717 8.1842 120.0673 60.8589 38.8108 177.7641 175 N 4.1152 8.1309 117.2358 56.3509 38.6616 177.5270 176 V 3.4955 7.6500 119.4482 65.9644 31.5298 178.1221 177 R 3.8002 7.7789 118.4100 59.5000 29.8636 178.5433 178 Q 3.7920 7.9021 118.1814 58.3830 28.1950 178.4202 179 K 3.7937 7.7048 120.3874 59.3925 32.0329 178.5089 180 K 3.8701 7.6612 118.3143 59.6572 32.2138 178.0061 181 Q 4.0931 8.2484 119.6331 59.2999 28.8733 178.2221 182 A 4.0424 8.2414 122.0636 55.2108 18.1394 179.6540 183 T 3.9046 7.4310 106.3886 64.4670 68.9765 175.8938 184 K 4.0898 7.7797 121.8610 57.9445 32.6537 176.2625 185 N 4.5857 7.6272 120.6307 53.4544 38.6587 174.4088 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 7 Y 8.13 4.56 0.00 2.89 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 8 Y 6.19 4.44 0.00 3.08 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 9 D 9.41 4.18 0.00 2.31 1.72 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 10 Y 7.57 4.90 0.00 2.24 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 11 L 8.78 4.69 0.00 1.43 1.61 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.88 5.23 0.00 2.97 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 13 K 8.81 4.90 0.00 1.95 1.88 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.65 7.81 14 I 9.25 5.19 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 1.06 0.00 0.00 15 V 8.53 4.88 1.86 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 0.09 0.00 0.00 0.85 0.00 0.00 16 L 8.85 5.29 0.00 1.72 1.63 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 I 9.89 4.35 1.61 0.00 0.00 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 1.35 1.32 0.99 0.00 0.00 18 G 7.27 3.95 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 0.00 0.00 0.00 19 D 8.12 4.73 0.00 2.96 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 20 S 8.48 4.15 0.00 3.76 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 21 G 8.91 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 22 V 7.10 3.73 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 0.80 0.00 0.00 1.02 0.00 0.00 23 G 8.55 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 0.00 0.00 0.00 0.00 24 K 8.53 3.96 0.00 1.81 1.89 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.47 7.81 25 S 8.04 4.19 0.00 4.14 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 0.00 26 N 7.98 4.72 0.00 2.77 3.02 0.00 0.00 7.63 6.74 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 27 L 8.34 4.20 0.00 1.97 1.99 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.05 4.01 0.00 1.82 1.86 0.99 0.81 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 29 S 8.13 4.14 0.00 4.08 4.06 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 30 R 8.14 4.00 0.00 2.18 2.20 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 31 F 8.04 4.25 0.00 2.78 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 32 T 7.67 3.89 4.06 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 1.08 0.00 0.00 33 R 7.41 4.41 0.00 1.83 1.89 0.00 3.14 0.00 0.00 3.04 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 34 D 7.73 4.50 0.00 2.67 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 35 E 8.07 4.88 0.00 1.94 1.81 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 2.20 2.27 0.00 36 F 8.46 5.02 0.00 2.90 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 37 N 8.14 4.97 0.00 2.69 2.58 0.00 0.00 6.98 7.59 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 38 L 8.50 4.20 0.00 1.71 1.83 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.77 4.24 0.00 2.05 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 0.00 2.24 2.27 0.00 40 S 8.64 4.40 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 *41 K 7.86 4.76 0.00 1.78 1.39 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.07 7.81 *45 G 9.23 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.13 5.18 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 1.42 0.00 0.00 0.98 0.00 0.00 47 E 9.29 5.09 0.00 1.98 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 2.19 2.29 0.00 48 F 8.16 5.11 0.00 1.58 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 49 A 8.33 4.33 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 5.13 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 1.28 0.00 0.00 51 K 8.66 4.50 0.00 1.52 1.39 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.57 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.11 1.13 7.81 52 S 8.50 5.17 0.00 3.75 3.74 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 0.00 0.00 0.00 53 I 8.58 4.70 1.86 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 1.25 1.03 0.89 0.00 0.00 54 Q 8.75 4.78 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 55 L 8.35 4.67 0.00 1.29 1.42 0.24 1.19 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 56 K 8.36 4.16 0.00 1.84 1.76 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.47 7.81 57 N 9.20 4.83 0.00 2.96 3.00 0.00 0.00 6.99 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.32 4.32 0.00 2.90 2.97 0.00 0.00 7.02 7.61 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 59 K 7.45 4.96 0.00 1.48 1.88 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.78 7.81 60 I 8.87 4.96 1.90 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 1.28 0.83 1.00 0.00 0.00 61 I 8.62 4.65 1.77 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 0.88 -0.11 0.69 0.00 0.00 62 K 8.38 4.59 0.00 1.15 0.80 0.00 1.11 0.00 0.00 1.24 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.13 1.16 7.81 63 A 8.86 4.70 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 64 Q 9.44 4.80 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 65 I 8.78 5.26 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.52 0.00 0.00 79 S 8.27 4.16 0.00 3.92 3.91 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 80 A 7.95 4.01 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 81 Y 8.63 3.86 0.00 2.97 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 82 Y 8.06 3.94 0.00 3.09 2.93 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 83 R 7.17 4.05 0.00 1.97 1.93 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 84 G 8.93 3.91 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 0.00 0.00 0.00 85 A 7.68 4.22 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 86 V 8.70 4.25 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 0.83 0.00 0.00 0.84 0.00 0.00 87 G 7.85 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0.00 112 D 8.16 4.47 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 0.00 113 N 7.30 4.72 0.00 2.13 2.59 0.00 0.00 6.92 7.23 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 0.00 114 A 7.94 4.43 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 0.00 115 D 8.39 4.47 0.00 2.75 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 0.00 116 S 8.56 4.18 0.00 3.99 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 0.00 117 N 8.28 4.66 0.00 2.87 2.83 0.00 0.00 6.91 7.02 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 0.00 118 I 7.29 3.84 1.97 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 1.13 0.84 0.97 0.00 0.00 119 V 8.37 4.10 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 0.94 0.00 0.00 0.86 0.00 0.00 120 I 8.36 4.98 1.88 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.72 4.66 0.00 3.21 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 0.00 138 N 8.15 4.39 0.00 2.96 3.14 0.00 0.00 6.31 8.07 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 0.00 139 D 8.00 4.30 0.00 2.68 2.62 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 0.00 0.00 0.00 0.00 140 A 7.60 3.95 0.70 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 0.00 0.00 141 T 7.96 3.82 4.46 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 1.29 0.00 0.00 142 Q 8.05 4.01 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 143 Y 7.90 4.19 0.00 3.01 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 0.00 144 A 8.00 3.82 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 0.00 145 K 8.23 3.95 0.00 1.81 1.87 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.58 7.81 146 K 7.87 3.86 0.00 1.86 1.99 0.00 1.90 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.50 7.81 147 E 7.87 4.15 0.00 1.53 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 1.69 1.59 0.00 148 K 7.59 3.82 0.00 1.84 1.85 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.34 7.81 149 L 8.09 4.95 0.00 1.42 1.54 0.80 0.76 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 0.00 150 A 8.48 4.40 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 0.00 151 F 8.52 5.57 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 0.00 152 I 8.40 4.20 1.72 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 1.07 1.04 0.78 0.00 0.00 153 E 8.28 5.03 0.00 1.74 1.76 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 2.24 1.94 0.00 154 T 8.71 4.86 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 1.16 0.00 0.00 155 S 8.66 4.60 0.00 3.85 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 0.00 156 A 8.76 4.12 1.53 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 0.00 0.00 0.00 157 L 7.89 2.50 0.00 1.17 1.47 0.36 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 158 E 7.95 4.08 0.00 1.93 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 2.18 2.33 0.00 159 A 8.13 3.83 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 0.00 160 T 7.61 3.92 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 1.18 0.00 0.00 161 N 9.04 4.12 0.00 2.96 2.84 0.00 0.00 6.77 7.68 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 0.00 162 V 7.72 3.60 2.31 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 1.31 0.00 0.00 1.07 0.00 0.00 163 E 8.26 4.19 0.00 2.20 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 2.21 2.54 0.00 164 L 8.04 3.91 0.00 1.78 1.82 0.92 0.96 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 0.00 165 A 8.09 3.86 1.14 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 0.00 0.00 166 F 7.85 3.89 0.00 2.24 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 0.00 0.00 0.00 0.00 167 H 8.77 4.23 0.00 3.38 3.43 0.00 5.81 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 0.00 168 Q 8.32 4.00 0.00 2.29 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.62 2.34 0.00 169 L 7.85 3.90 0.00 1.79 1.86 0.93 0.69 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 0.00 170 L 8.15 4.11 0.00 1.92 1.85 1.08 0.99 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 0.00 171 N 8.41 4.43 0.00 3.00 2.94 0.00 0.00 6.70 7.20 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 0.00 172 E 8.13 3.96 0.00 2.11 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 0.00 2.29 2.36 0.00 173 I 7.91 3.49 1.81 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 1.38 0.71 -0.14 0.00 0.00 174 Y 8.18 4.17 0.00 3.27 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 0.00 175 N 8.13 4.12 0.00 2.98 2.83 0.00 0.00 6.72 7.63 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 0.00 176 V 7.65 3.50 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 0.91 0.00 0.00 0.89 0.00 0.00 177 R 7.78 3.80 0.00 1.77 1.84 0.00 3.37 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 1.49 1.66 0.00 178 Q 7.90 3.79 0.00 1.64 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 1.25 1.59 0.00 179 K 7.70 3.79 0.00 1.89 1.95 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 180 K 7.66 3.87 0.00 1.76 1.98 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.44 7.81 181 Q 8.25 4.09 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 182 A 8.24 4.04 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 0.00 183 T 7.43 3.90 4.23 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 1.23 0.00 0.00 184 K 7.78 4.09 0.00 1.67 2.10 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 185 N 7.63 4.59 0.00 2.69 2.70 0.00 0.00 6.82 7.93 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 * Residues marked with a * may have inaccurate shift predictions.