NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9064 8.1476 120.6242 55.5707 34.2617 173.8662 2 V 4.7657 8.8642 124.7420 59.0299 35.0872 172.4932 3 L 4.4575 9.1466 127.9167 53.5548 44.0669 176.0464 4 I 4.8462 8.6787 128.0775 59.9000 39.1977 174.9054 5 L 5.1522 9.0087 126.4058 53.0365 46.1401 175.4006 6 N 5.3056 8.8606 119.0378 52.0793 42.8744 174.5415 7 G 4.4357 8.6058 114.4899 43.6248 0.0000 171.5486 8 P 4.5127 0.0000 0.0000 64.0002 32.1292 177.4869 9 N 4.6075 9.2034 117.7328 54.0475 38.2426 176.9002 10 L 4.0785 7.6000 117.4703 57.1162 41.8101 178.9009 11 N 4.4379 8.2071 115.0290 55.0093 37.6008 175.4937 12 L 4.5146 7.7662 118.3394 54.1161 42.0529 176.0909 13 L 4.0226 7.4107 120.5367 56.2107 42.0393 176.6265 14 G 4.4393 8.9460 115.3038 46.8498 0.0000 175.6545 15 R 4.1021 7.9254 119.2911 58.1057 30.4596 177.8519 16 R 4.0953 7.3896 114.7599 54.4904 27.6016 175.4897 17 E 4.1916 9.4871 124.8054 55.6775 29.3808 172.2068 18 P 5.1504 0.0000 0.0000 62.5344 33.6360 173.9780 19 E 4.5975 8.0719 114.5360 57.8356 34.6449 176.0097 20 V 3.3433 7.2446 117.2504 65.1012 31.9101 175.8815 21 Y 4.2184 7.7079 120.3469 57.7457 38.9638 176.8952 22 G 3.9511 8.1469 107.8591 44.8589 0.0000 172.6314 23 R 4.4212 8.1663 112.3546 56.6118 30.8310 176.3558 24 T 4.3705 7.8052 113.4341 62.0505 68.0551 174.1773 25 T 4.8266 8.0698 119.7350 59.2835 71.9737 175.8129 26 L 3.8959 8.2219 121.4888 58.4301 41.9867 178.1806 27 E 3.7596 8.1662 117.8484 59.8019 29.4035 179.3150 28 E 3.7983 7.9402 117.9773 59.0440 29.4626 179.2133 29 L 3.7130 7.9651 120.9460 58.0595 42.1281 178.8419 30 E 2.8162 7.4471 117.4097 58.9565 29.1825 178.8878 31 A 3.7496 7.7320 121.6492 54.8279 18.3065 179.6506 32 L 3.2631 7.6143 117.4630 57.6802 41.3949 179.5449 33 C 4.4272 7.7374 116.7788 62.6988 27.8576 175.6964 34 E 3.9024 8.1044 119.9713 59.2054 29.6024 178.4333 35 A 4.0897 7.7061 120.7139 55.0671 18.2161 179.7212 36 W 4.7439 8.1022 116.6825 59.8518 29.4461 178.7100 37 G 3.8815 8.9849 107.2325 46.9210 0.0000 175.0083 38 A 4.6609 7.6846 120.8524 52.8578 19.4065 178.7822 39 E 4.1223 8.2455 115.6308 58.5090 30.0069 177.2484 40 L 4.3621 7.8383 118.2814 54.4083 42.3800 176.4313 41 G 3.9328 8.4862 104.3132 45.7347 0.0000 172.7894 42 L 4.7530 8.4276 120.4253 52.4668 44.2928 176.3626 43 G 4.0297 8.7075 111.0471 46.2231 0.0000 172.7764 44 V 5.8011 8.1638 114.3124 58.8950 35.9671 174.9585 45 V 4.6708 8.5212 116.2202 59.5883 35.6164 174.3413 46 F 5.0733 8.5718 124.1678 56.7590 41.9473 173.9721 47 R 4.6953 8.2513 123.9041 54.6607 34.6682 173.9205 48 Q 5.5030 8.6134 121.5005 54.4099 32.0842 173.6879 49 T 4.8801 8.5315 118.2649 61.1391 70.9799 173.5857 50 N 4.6776 9.0663 122.5458 53.6145 39.5289 174.4970 51 Y 4.4418 8.0596 118.0856 55.6958 40.1574 175.8129 52 E 3.9553 9.1748 125.9255 59.6462 29.5768 179.1765 53 G 3.6333 8.1272 104.8780 47.8164 0.0000 175.1867 54 Q 3.5569 7.8105 121.4809 58.4785 28.9644 177.8910 55 L 3.9317 7.4620 121.0332 57.9423 42.2431 178.4333 56 I 3.6317 7.9726 120.2021 64.6676 37.2421 177.8767 57 E 3.9569 8.2530 119.1658 59.6201 29.1422 179.7590 58 W 4.5889 7.7832 117.2793 59.9336 29.5284 178.6992 59 V 3.9018 8.0569 112.5130 64.1834 30.8007 178.5220 60 Q 4.1498 8.1301 117.2826 58.8801 29.0401 178.1212 61 Q 4.2910 8.1524 118.2399 57.1625 29.3615 177.2917 62 A 4.3516 7.7363 121.1616 55.8574 18.3960 179.2153 63 H 4.4743 8.3344 113.3789 58.9669 28.4849 177.6622 64 Q 3.9301 7.6567 119.4200 58.7439 28.7267 177.9992 65 E 4.1493 7.9040 116.2846 57.0380 29.6484 177.7802 66 G 3.8875 7.8239 107.9209 44.8392 0.0000 174.2693 67 F 4.4014 7.6560 118.3550 57.5512 39.4598 174.8591 68 L 4.6532 8.7304 124.9729 56.1900 43.3555 176.0908 69 A 4.8940 7.8753 118.3116 50.8029 23.0230 174.8597 70 I 4.8955 8.7203 120.6490 59.4894 40.3904 174.8389 71 V 4.6290 8.4230 127.2614 61.2468 33.5578 174.2794 72 L 5.0139 9.2790 129.6519 53.4781 45.3937 174.3782 73 N 5.3549 9.3377 125.9467 50.4418 39.7335 172.8692 74 P 4.4315 0.0000 0.0000 62.2106 32.6992 178.2940 75 G 4.2588 8.4113 107.8103 45.7486 0.0000 174.6735 76 A 4.3330 8.5881 119.8474 54.6761 18.4385 179.5036 77 L 3.2459 7.5406 116.3196 57.0367 41.4630 179.0122 78 T 3.7205 7.7679 113.5848 64.9195 66.9166 174.4848 79 H 5.0842 8.0758 116.9793 55.3232 29.2276 175.1862 80 Y 4.5670 7.2490 115.1425 57.3601 42.0835 175.0095 81 S 4.3471 7.4554 117.2787 57.0208 61.1702 173.6617 82 Y 4.1724 8.1118 124.8246 60.2215 37.7822 177.4636 83 A 4.0139 8.0505 121.8062 54.9391 18.5180 179.1881 84 L 3.8882 7.7500 118.7038 57.9936 42.2172 178.9248 85 L 3.9137 7.5801 120.4282 58.5025 42.1468 178.8894 86 D 4.4470 8.4973 118.5023 56.9667 40.4296 178.6852 87 A 4.0491 7.8100 121.3767 55.0117 18.8388 179.4062 88 I 3.8404 7.7310 111.6964 64.1099 37.4356 178.6505 89 R 4.1419 7.7726 118.3570 58.4439 30.0843 177.9112 90 A 4.3158 7.9594 118.1088 52.1208 18.5869 176.8317 91 Q 4.5810 7.0235 113.9145 53.7465 31.7884 173.5983 92 P 4.4977 0.0000 0.0000 64.1413 32.2554 176.6841 93 L 4.1927 7.8927 118.8789 53.9634 42.3045 174.7947 94 P 4.5906 0.0000 0.0000 62.8068 33.0952 175.0542 95 V 4.8116 8.3107 120.9794 61.2017 34.8577 173.8952 96 V 4.5738 8.8706 128.3512 61.2395 33.5121 173.8864 97 E 4.8595 8.7317 129.4604 55.2126 30.9872 174.9691 98 V 4.9028 8.3231 125.1923 61.6662 35.7275 173.6577 99 H 5.0026 8.8235 122.1886 54.3502 33.1039 174.4896 100 L 4.4478 9.1742 122.9766 57.7387 42.5625 177.5812 101 T 4.4519 7.7866 106.6013 59.5024 71.1318 173.7259 102 N 4.3960 8.1878 120.4022 52.8293 38.3236 175.5419 103 L 3.9024 8.2646 126.9391 57.7540 41.8511 178.3312 104 H 4.3131 8.3656 114.0229 56.9306 28.9162 175.6034 105 A 4.6719 7.5898 121.3345 51.6998 19.5437 177.2454 106 R 4.5096 7.2292 118.3368 56.4022 32.1383 175.2515 107 E 4.0270 8.2534 121.6501 56.9149 30.6124 177.1060 108 E 3.8697 8.9812 122.9970 59.4831 29.4610 179.4710 109 F 4.3650 7.9703 112.6502 59.3489 38.2690 177.3123 110 R 3.3672 6.5065 119.2712 58.3573 29.8053 177.9542 111 R 3.8867 7.6327 116.0766 57.6195 30.3119 175.9260 112 H 4.6978 7.9069 113.6969 53.6850 29.0652 174.0056 113 S 4.7383 8.4686 120.4424 56.8334 61.9923 174.2617 114 V 3.7425 8.3724 123.1586 63.6234 31.8278 178.0459 115 T 4.0757 7.8215 109.9115 63.7843 69.7146 176.4464 116 A 3.9656 7.9047 124.8171 54.7245 18.4016 177.7695 117 P 4.2264 0.0000 0.0000 65.1105 31.4239 176.9430 118 A 4.4561 7.8309 118.6314 52.1996 18.8597 176.5585 119 C 4.7479 7.7708 114.4529 57.9040 30.0909 174.9565 120 R 3.9983 8.7918 121.8967 59.4462 30.4282 176.7534 121 G 3.9070 7.0835 100.8450 45.8903 0.0000 172.1533 122 I 5.4535 8.2493 119.1233 59.0784 41.5731 174.6500 123 V 4.7595 8.6543 127.0686 60.0572 34.3083 174.4424 124 S 5.0917 9.0329 118.6386 58.1682 65.6767 174.3179 125 G 3.7199 8.8592 110.0139 45.5452 0.0000 173.9591 126 F 4.7933 8.1916 117.7256 56.4416 40.1010 176.9988 127 G 4.2511 8.0617 110.5962 45.7665 0.0000 174.1658 128 P 4.5250 0.0000 0.0000 66.1364 31.3698 177.7207 129 L 4.0312 7.9994 115.5599 56.6579 41.4693 179.3999 130 S 4.3147 8.6118 116.3502 61.6981 62.7587 176.0869 131 Y 4.0006 8.5264 119.6732 60.7207 37.5778 177.9753 132 K 3.4452 7.9037 120.1125 59.4635 32.0561 178.4999 133 L 3.7881 7.6603 118.6670 57.7926 41.5297 179.3876 134 A 4.0567 7.8905 120.5237 55.1274 18.1478 179.7609 135 L 4.0203 8.0234 117.8375 57.8544 41.7626 180.0640 136 V 3.5728 8.0709 119.5309 64.7863 31.1118 177.4367 137 Y 4.0525 7.6498 119.3170 60.7855 38.7527 178.3079 138 L 3.9291 7.9888 119.1550 57.3853 41.4543 179.3014 139 A 3.9631 8.0970 120.7461 55.1268 18.3810 179.0525 140 E 3.9482 7.8164 116.2887 57.7448 29.8477 176.6689 141 T 4.2335 6.5928 116.8557 62.0031 71.1280 175.0029 *142 L 4.1415 8.2324 121.2922 54.7418 41.6354 176.1187 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 1 M 8.15 4.91 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.82 0.00 2 V 8.86 4.77 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 0.73 0.00 0.00 0.96 0.00 0.00 3 L 9.15 4.46 0.00 0.74 1.09 0.59 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.68 4.85 1.77 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 0.61 0.92 0.00 0.00 5 L 9.01 5.15 0.00 1.47 1.54 1.01 0.21 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 6 N 8.86 5.31 0.00 2.71 2.68 0.00 0.00 6.72 8.85 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 7 G 8.61 4.44 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 0.00 8 P 0.00 4.51 0.00 2.19 1.95 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 9 N 9.20 4.61 0.00 2.94 2.96 0.00 0.00 7.12 6.89 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 10 L 7.60 4.08 0.00 1.91 1.78 1.01 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.21 4.44 0.00 2.86 3.20 0.00 0.00 5.99 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 12 L 7.77 4.51 0.00 1.81 1.68 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.41 4.02 0.00 1.68 1.76 0.75 1.16 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 14 G 8.95 4.44 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 0.00 15 R 7.93 4.10 0.00 1.82 2.01 0.00 3.38 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 16 R 7.39 4.10 0.00 1.93 1.94 0.00 2.92 0.00 0.00 2.89 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.00 17 E 9.49 4.19 0.00 2.26 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 2.17 2.40 0.00 18 P 0.00 5.15 0.00 2.17 2.09 0.00 3.91 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 1.89 1.99 0.00 19 E 8.07 4.60 0.00 1.91 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 2.21 2.23 0.00 20 V 7.24 3.34 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 0.08 0.00 0.00 0.90 0.00 0.00 21 Y 7.71 4.22 0.00 3.33 3.09 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 0.00 0.00 0.00 0.00 22 G 8.15 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 23 R 8.17 4.42 0.00 2.01 2.20 0.00 2.99 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 24 T 7.81 4.37 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 1.25 0.00 0.00 25 T 8.07 4.83 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 1.19 0.00 0.00 26 L 8.22 3.90 0.00 1.95 1.72 1.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.17 3.76 0.00 1.96 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 2.33 2.38 0.00 28 E 7.94 3.80 0.00 2.18 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 2.24 2.23 0.00 29 L 7.97 3.71 0.00 1.81 1.59 0.70 0.46 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 30 E 7.45 2.82 0.00 1.67 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 1.54 2.06 0.00 31 A 7.73 3.75 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 32 L 7.61 3.26 0.00 1.34 0.25 0.60 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.74 4.43 0.00 3.20 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 34 E 8.10 3.90 0.00 1.91 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 2.44 0.00 35 A 7.71 4.09 1.17 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 36 W 8.10 4.74 0.00 3.70 3.18 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 37 G 8.98 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 0.00 0.00 0.00 38 A 7.68 4.66 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.25 4.12 0.00 2.18 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 2.36 2.43 0.00 40 L 7.84 4.36 0.00 1.64 1.86 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.49 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 42 L 8.43 4.75 0.00 1.74 1.63 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.71 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 44 V 8.16 5.80 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 0.73 0.00 0.00 1.08 0.00 0.00 45 V 8.52 4.67 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 1.05 0.00 0.00 0.89 0.00 0.00 46 F 8.57 5.07 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 47 R 8.25 4.70 0.00 0.97 0.66 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.11 0.00 48 Q 8.61 5.50 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.74 0.00 0.00 0.00 0.00 0.00 2.49 2.23 0.00 49 T 8.53 4.88 4.19 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 1.11 0.00 0.00 50 N 9.07 4.68 0.00 2.68 2.65 0.00 0.00 6.80 7.46 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 51 Y 8.06 4.44 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.17 3.96 0.00 1.98 1.95 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 2.34 2.31 0.00 53 G 8.13 3.63 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 0.00 0.00 0.00 54 Q 7.81 3.56 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 55 L 7.46 3.93 0.00 1.81 1.61 0.91 1.22 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 56 I 7.97 3.63 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.90 0.00 0.00 57 E 8.25 3.96 0.00 1.93 1.97 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 2.27 2.39 0.00 58 W 7.78 4.59 0.00 3.53 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 59 V 8.06 3.90 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 0.95 0.00 0.00 0.97 0.00 0.00 60 Q 8.13 4.15 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 61 Q 8.15 4.29 0.00 2.59 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 62 A 7.74 4.35 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 63 H 8.33 4.47 0.00 3.47 3.63 0.00 5.67 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 64 Q 7.66 3.93 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.09 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 65 E 7.90 4.15 0.00 2.23 1.83 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 2.37 2.38 0.00 66 G 7.82 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 0.00 0.00 0.00 67 F 7.66 4.40 0.00 3.29 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 68 L 8.73 4.65 0.00 1.70 1.96 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.88 4.89 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 70 I 8.72 4.90 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 1.02 0.67 0.86 0.00 0.00 71 V 8.42 4.63 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 0.79 0.00 0.00 0.96 0.00 0.00 72 L 9.28 5.01 0.00 1.66 1.39 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.34 5.35 0.00 2.64 2.75 0.00 0.00 7.09 7.57 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 74 P 0.00 4.43 0.00 2.23 1.99 0.00 3.79 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 2.07 2.03 0.00 75 G 8.41 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 0.00 0.00 0.00 0.00 76 A 8.59 4.33 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.54 3.25 0.00 1.69 1.37 0.81 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.77 3.72 4.19 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 1.24 0.00 0.00 79 H 8.08 5.08 0.00 3.51 3.73 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.25 4.57 0.00 2.91 2.88 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 81 S 7.46 4.35 0.00 3.41 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.17 0.00 3.12 2.89 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 83 A 8.05 4.01 1.33 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 0.00 0.00 0.00 84 L 7.75 3.89 0.00 1.77 1.65 0.85 0.35 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 85 L 7.58 3.91 0.00 1.75 1.98 1.09 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.50 4.45 0.00 2.75 2.72 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 87 A 7.81 4.05 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.73 3.84 1.88 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 1.52 0.68 0.95 0.00 0.00 89 R 7.77 4.14 0.00 1.99 2.04 0.00 3.34 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 90 A 7.96 4.32 1.35 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 0.00 0.00 91 Q 7.02 4.58 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 92 P 0.00 4.50 0.00 2.18 2.18 0.00 3.68 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 93 L 7.89 4.19 0.00 1.82 1.70 1.10 1.15 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 94 P 0.00 4.59 0.00 2.20 2.23 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 95 V 8.31 4.81 2.07 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 1.03 0.00 0.00 0.94 0.00 0.00 96 V 8.87 4.57 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 0.97 0.00 0.00 97 E 8.73 4.86 0.00 2.04 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 2.09 2.24 0.00 98 V 8.32 4.90 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 -0.06 0.00 0.00 0.76 0.00 0.00 99 H 8.82 5.00 0.00 3.19 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.17 4.45 0.00 1.87 1.93 1.14 0.95 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 0.00 101 T 7.79 4.45 4.10 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 1.00 0.00 0.00 102 N 8.19 4.40 0.00 2.59 2.65 0.00 0.00 6.88 6.66 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 0.00 103 L 8.26 3.90 0.00 1.37 1.63 0.76 1.06 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 0.00 104 H 8.37 4.31 0.00 3.07 3.34 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.59 4.67 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 0.00 106 R 7.23 4.51 0.00 1.54 1.53 0.00 3.04 0.00 0.00 3.07 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.59 0.00 107 E 8.25 4.03 0.00 1.28 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 0.00 2.47 2.31 0.00 108 E 8.98 3.87 0.00 2.03 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 2.40 2.39 0.00 109 F 7.97 4.37 0.00 3.21 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 0.00 110 R 6.51 3.37 0.00 1.53 1.70 0.00 2.90 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 111 R 7.63 3.89 0.00 1.90 2.01 0.00 3.09 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 112 H 7.91 4.70 0.00 3.37 3.43 0.00 5.25 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.47 4.74 0.00 3.85 3.83 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 0.00 114 V 8.37 3.74 1.61 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 0.26 0.00 0.00 0.53 0.00 0.00 115 T 7.82 4.08 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 1.13 0.00 0.00 116 A 7.90 3.97 1.33 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 0.00 0.00 0.00 117 P 0.00 4.23 0.00 2.07 2.16 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 118 A 7.83 4.46 1.32 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 0.00 0.00 119 C 7.77 4.75 0.00 3.11 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 0.00 120 R 8.79 4.00 0.00 1.73 1.81 0.00 3.48 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 121 G 7.08 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 0.00 122 I 8.25 5.45 1.84 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 1.42 1.08 0.90 0.00 0.00 123 V 8.65 4.76 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 0.67 0.00 0.00 1.13 0.00 0.00 124 S 9.03 5.09 0.00 4.03 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 0.00 125 G 8.86 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 0.00 0.00 0.00 126 F 8.19 4.79 0.00 3.33 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 0.00 127 G 8.06 4.25 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 0.00 128 P 0.00 4.52 0.00 2.47 2.37 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 129 L 8.00 4.03 0.00 2.15 1.66 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.61 4.31 0.00 4.02 3.94 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 0.00 131 Y 8.53 4.00 0.00 3.53 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 0.00 132 K 7.90 3.45 0.00 0.79 1.24 0.00 1.21 0.00 0.00 1.21 0.00 0.00 2.55 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 L 7.66 3.79 0.00 1.61 1.55 0.24 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.89 4.06 1.33 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 0.00 0.00 0.00 135 L 8.02 4.02 0.00 1.91 1.81 1.21 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.07 3.57 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 0.74 0.00 0.00 0.90 0.00 0.00 137 Y 7.65 4.05 0.00 2.99 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 0.00 138 L 7.99 3.93 0.00 2.14 1.71 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.10 3.96 1.27 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 0.00 0.00 140 E 7.82 3.95 0.00 2.01 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 2.23 2.29 0.00 141 T 6.59 4.23 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 1.08 0.00 0.00 *142 L 8.23 4.14 0.00 1.41 1.48 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.