NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9991 8.0549 120.3111 60.8618 32.6451 174.6961 2 L 3.7683 8.5813 124.0380 53.4733 41.6458 176.2086 3 S 4.5736 9.2078 120.3031 56.8060 66.5685 172.9483 4 P 4.2112 0.0000 0.0000 65.6177 31.0293 178.6153 5 A 3.9778 8.0100 119.0029 55.4167 17.7894 179.1183 6 D 4.7250 7.9532 118.3713 57.0940 40.9732 179.2582 7 K 3.9466 8.3941 119.1490 59.8283 32.0046 179.5968 8 T 3.8955 8.0495 116.0362 66.5564 68.3817 176.5419 9 N 4.3151 8.1913 118.4009 56.3077 38.6092 177.5738 10 V 3.4974 7.9687 119.7206 65.9485 31.5424 178.0006 11 K 3.8962 8.0575 117.9252 59.5014 31.8816 178.9707 12 A 3.9566 8.1386 120.4852 55.1107 18.4524 179.2548 13 A 3.9889 8.4460 119.3281 55.3094 18.5523 179.7078 14 W 4.0299 8.9733 127.1152 60.4682 30.5687 178.1041 15 G 3.8085 8.4024 105.1919 48.1603 0.0000 175.4571 16 K 4.1069 7.9393 119.5856 58.9830 32.2266 179.3638 17 V 3.5538 7.5262 118.5174 63.9901 31.5960 177.3454 18 G 3.5934 8.2149 107.8365 46.6600 0.0000 174.9843 19 A 4.1950 8.5176 126.3084 53.3500 18.4786 178.4127 20 H 4.2462 8.2560 113.4385 56.1691 28.8189 176.8554 21 A 3.7599 7.2499 124.3370 55.2173 18.1866 179.7230 22 G 3.6366 7.9825 103.2674 48.1821 0.0000 175.4337 23 E 4.0117 7.9521 120.7182 59.4220 29.5541 179.0298 24 Y 4.4464 7.9990 116.8430 60.6677 37.8269 178.5962 25 G 3.6722 8.7702 107.1531 47.9204 0.0000 175.6934 26 A 4.0736 7.9866 123.7449 54.6271 18.3585 179.3549 27 E 3.9035 8.4326 117.7523 59.2667 29.6205 178.8944 28 A 3.9777 8.1296 120.8735 55.1348 18.3695 179.6175 29 L 3.4914 7.8390 117.5098 57.6340 41.6316 179.3301 30 E 4.0037 8.1147 119.2221 59.4175 29.5326 179.0378 31 R 3.8743 8.3464 118.4627 59.4118 30.0917 178.7085 32 M 4.1557 8.0596 118.1360 58.8543 32.0250 178.3449 33 F 4.6003 7.7520 116.8959 60.5021 39.1073 177.4951 34 L 4.1920 7.8363 117.9698 58.0196 41.6378 179.3762 35 S 4.1593 8.0572 113.9012 59.8312 64.1411 174.6936 36 F 4.9986 8.1803 120.0160 53.7444 39.4644 173.1944 37 P 4.5877 0.0000 0.0000 65.6103 31.5493 177.7455 38 T 4.0833 8.1329 108.1791 64.5060 68.5370 176.0939 39 T 4.4168 8.3232 112.4901 64.0464 68.8525 176.5350 40 K 4.1177 8.4456 122.0319 59.1435 31.7805 178.8863 41 T 3.8324 7.7546 109.1754 64.1547 68.6528 175.1542 42 Y 4.2428 7.6413 117.9038 58.1576 39.2186 175.0776 43 F 4.8109 8.3966 119.7882 56.1039 39.7486 175.0898 44 P 4.3595 0.0000 0.0000 65.5220 31.7895 176.8737 45 H 4.7872 8.5099 112.6975 55.4023 28.8259 174.5504 46 F 4.7882 7.8527 118.9400 56.1454 40.4194 174.9679 47 D 4.5828 8.7579 124.3860 53.9342 41.0897 176.1069 48 L 4.6874 8.3503 126.6774 54.3954 42.4536 176.8188 49 S 4.4071 8.0072 113.6179 57.5634 63.8780 173.0611 50 H 4.2689 8.6611 121.8414 58.1841 29.8002 175.5535 51 G 3.8294 9.0043 113.9991 45.6870 0.0000 173.7845 52 S 4.0687 8.0647 114.1805 58.7475 63.9164 175.0899 53 A 4.0098 8.5168 129.8103 55.1176 18.1870 180.0043 54 Q 3.6449 7.8250 116.1810 59.0411 28.7987 178.9959 55 V 3.7698 7.2910 117.6714 65.9338 31.5561 177.8577 56 K 3.9817 8.1249 118.3684 59.8111 31.9027 179.5132 57 G 3.6559 8.1194 105.6205 48.0779 0.0000 175.1795 58 H 4.6564 8.7787 120.8384 58.8179 29.9288 177.5129 59 G 3.7105 8.6171 108.3451 47.6840 0.0000 175.6026 60 K 4.0445 8.0083 121.5261 59.2766 32.0499 179.1750 61 K 4.0562 7.9425 118.5828 59.2460 31.9023 179.6442 62 V 3.6270 7.9659 118.5546 65.7581 31.4601 177.8218 63 A 4.2409 8.1423 120.5264 55.6577 18.2119 179.3434 64 D 4.4628 8.4424 117.0721 57.5274 40.8355 179.0504 65 A 4.0146 7.8769 121.3008 55.1102 18.3693 179.7238 66 L 3.9334 8.0276 117.5561 57.8915 41.5943 179.7863 67 T 3.8272 8.3319 116.3725 66.6762 68.4318 176.0037 68 N 4.2886 8.4513 118.9902 56.7805 38.6954 176.7486 69 A 4.0857 7.7650 121.2431 54.7616 18.6097 179.5594 70 V 3.4997 7.9151 116.7747 66.2010 31.4376 178.2114 71 A 4.1311 7.8852 118.8196 54.2782 18.4550 177.3849 72 H 4.9016 7.9471 115.0697 55.3217 29.6424 176.7912 73 V 3.7231 7.5560 121.4962 64.5931 31.3644 176.5733 74 D 4.6977 7.9867 117.7812 54.9690 41.1594 175.9718 75 D 4.8198 8.3586 119.6809 53.0255 42.4408 177.0213 76 M 4.0253 8.6298 119.1353 57.6941 31.6769 175.8982 77 P 4.2163 0.0000 0.0000 65.9703 31.6748 177.9496 78 N 4.4618 8.1045 113.9563 56.3709 38.4368 177.1412 79 A 4.1893 7.7594 119.5048 53.6570 18.6064 177.9318 80 L 4.5713 7.7004 116.4705 54.4006 42.7773 177.9958 81 S 4.0500 7.9981 115.4844 61.8540 62.1233 176.4233 82 A 4.0197 7.9355 122.4655 55.2175 18.1453 179.4406 83 L 4.0814 7.8510 116.9828 57.6227 41.7550 179.5113 84 S 4.0806 8.4211 113.7995 61.3148 62.3659 175.8145 85 D 4.2881 8.1018 121.6024 57.3823 40.5398 178.5647 86 L 3.9626 8.0229 120.6727 58.4973 42.1628 178.7109 87 H 4.2546 8.6004 115.9013 58.5302 28.6619 177.4410 88 A 4.1775 8.1840 121.2827 54.0320 18.6205 177.7559 89 H 4.6941 8.3622 112.8520 56.3135 31.0464 175.6913 90 K 4.3322 8.0909 117.0130 58.3738 32.9167 177.8516 91 L 4.0489 8.1846 117.5666 55.6793 42.2274 177.5045 92 R 3.7819 7.8672 115.1538 57.0928 27.1312 176.8108 93 V 3.5096 7.6717 116.7026 61.9411 32.5949 175.0071 94 D 4.5083 8.7058 127.3346 53.6482 41.8522 174.9361 95 P 4.3319 0.0000 0.0000 66.1127 30.7204 178.4985 96 V 3.6223 8.1219 116.7764 66.4293 31.2811 177.8655 97 N 4.3672 8.5527 115.9469 55.8769 38.2174 177.4292 98 F 3.9311 8.3418 119.7446 60.2830 39.0656 177.7290 99 K 3.9690 7.8651 117.2519 59.3601 31.7916 179.4174 100 L 3.6378 7.4894 118.8896 57.4186 41.6189 179.0048 101 L 3.9289 7.8371 120.3342 58.0834 41.9058 179.1640 102 S 4.1495 8.2650 115.3111 61.8259 62.7096 176.0878 103 H 4.2138 8.1609 120.5614 59.6690 29.6359 177.0783 104 C 4.0945 8.0565 117.9448 62.6239 27.7811 176.2370 105 L 3.9869 8.0360 120.6452 57.8996 41.2301 179.3651 106 L 4.0591 8.2544 119.2312 57.8653 41.4578 179.8288 107 V 3.3723 7.9396 118.2399 66.1327 31.3144 178.1551 108 T 3.6947 7.7136 115.3189 66.7073 68.3238 176.5370 109 L 3.6477 7.9724 120.7858 57.6327 41.3786 179.5023 110 A 2.9395 7.2106 119.5860 54.7215 18.2610 179.3371 111 A 3.9435 7.7777 118.1868 54.3438 18.5151 178.4048 112 H 4.6958 7.4341 112.1689 55.1154 31.8184 174.1326 113 L 4.8790 7.6597 120.4023 52.7322 42.0952 175.7490 114 P 4.2349 0.0000 0.0000 65.6831 32.1023 178.4803 115 A 4.1644 7.9906 120.9329 54.8039 18.4967 178.2026 116 E 4.1769 8.0983 113.7679 58.4643 30.5071 177.2734 117 F 4.4628 7.6841 123.4716 57.2231 37.9307 175.1346 118 T 4.3238 7.2030 114.9057 60.3529 71.9041 173.7127 119 P 4.0823 0.0000 0.0000 65.7130 31.2418 178.9266 120 A 3.9400 7.7933 119.1247 55.1071 18.4060 179.6710 121 V 3.5133 7.5659 116.4181 66.1236 31.4781 177.5874 122 H 3.6571 8.1105 118.0073 59.0861 29.6864 176.7913 123 A 3.9440 7.6369 121.8760 55.4278 18.2987 179.7137 124 S 4.3056 7.9920 114.5804 61.3594 62.9543 176.9629 125 L 4.1989 8.2706 121.8768 57.8860 41.3441 179.1995 126 D 4.4131 8.4388 118.0441 57.4479 41.2563 178.5509 127 K 4.0454 8.2377 119.0374 59.1115 31.9780 179.1836 128 F 4.2230 8.6697 121.5058 61.4994 39.3743 177.3268 129 L 3.6927 8.5167 118.6954 57.3618 41.2545 179.3474 130 A 3.9504 8.1190 121.0287 55.1883 18.2800 179.8942 131 S 3.9509 8.0230 113.6832 61.5926 62.9055 177.0090 132 V 3.3667 7.3275 120.9186 65.9938 31.2443 178.2437 133 S 3.8472 7.9802 114.7896 61.7985 62.4301 176.6799 134 T 3.6822 7.8911 118.5637 66.7599 67.9659 176.8254 135 V 3.6117 7.3852 118.8059 65.7741 31.6428 177.6737 136 L 4.1341 7.6898 117.3430 56.2188 41.6088 178.1185 137 T 4.3222 6.9794 107.8700 61.1515 69.2824 176.0316 138 S 4.1705 7.4088 116.3140 61.5737 63.7293 176.6363 139 K 4.3411 7.9486 124.3240 56.4789 31.8751 178.9164 *140 Y 4.1611 7.8703 119.3626 59.4199 37.4744 178.1359 141 R 4.2199 7.5574 120.4061 56.2776 29.3057 174.5555 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 V 8.05 4.00 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 0.92 0.00 0.00 0.93 0.00 0.00 2 L 8.58 3.77 0.00 1.77 1.74 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.21 4.57 0.00 4.08 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 4 P 0.00 4.21 0.00 2.17 2.15 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 5 A 8.01 3.98 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 6 D 7.95 4.73 0.00 2.98 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 7 K 8.39 3.95 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.71 7.81 8 T 8.05 3.90 4.36 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 1.21 0.00 0.00 9 N 8.19 4.32 0.00 2.89 2.86 0.00 0.00 6.69 7.00 0.00 0.00 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 V 7.97 3.50 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 0.13 0.00 0.00 0.80 0.00 0.00 11 K 8.06 3.90 0.00 2.06 1.86 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.47 7.81 12 A 8.14 3.96 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 13 A 8.45 3.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.97 4.03 0.00 3.45 3.13 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 15 G 8.40 3.81 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 0.00 0.00 0.00 16 K 7.94 4.11 0.00 1.92 1.87 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.60 7.81 17 V 7.53 3.55 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 0.41 0.00 0.00 0.66 0.00 0.00 18 G 8.21 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 19 A 8.52 4.19 1.22 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 20 H 8.26 4.25 0.00 2.61 2.29 0.00 5.65 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 21 A 7.25 3.76 1.28 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 0.00 0.00 0.00 22 G 7.98 3.64 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 0.00 0.00 0.00 23 E 7.95 4.01 0.00 2.03 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 2.34 2.25 0.00 24 Y 8.00 4.45 0.00 3.02 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 25 G 8.77 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 26 A 7.99 4.07 1.38 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 0.00 0.00 0.00 27 E 8.43 3.90 0.00 2.12 1.99 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 2.30 2.34 0.00 28 A 8.13 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 3.49 0.00 1.78 1.39 0.95 0.65 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 30 E 8.11 4.00 0.00 2.25 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 0.00 2.37 2.46 0.00 31 R 8.35 3.87 0.00 1.98 1.93 0.00 3.13 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 32 M 8.06 4.16 0.00 1.75 2.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 33 F 7.75 4.60 0.00 3.09 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 34 L 7.84 4.19 0.00 1.86 1.69 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.06 4.16 0.00 3.54 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 36 F 8.18 5.00 0.00 3.20 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 37 P 0.00 4.59 0.00 2.22 2.17 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 38 T 8.13 4.08 4.32 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 1.29 0.00 0.00 39 T 8.32 4.42 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 1.32 0.00 0.00 40 K 8.45 4.12 0.00 2.02 1.86 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.23 1.69 7.81 41 T 7.75 3.83 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 1.18 0.00 0.00 42 Y 7.64 4.24 0.00 2.86 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 43 F 8.40 4.81 0.00 2.72 2.47 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 44 P 0.00 4.36 0.00 2.20 2.18 0.00 3.87 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 2.01 1.92 0.00 45 H 8.51 4.79 0.00 3.39 3.48 0.00 5.51 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.85 4.79 0.00 3.09 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 47 D 8.76 4.58 0.00 2.59 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 48 L 8.35 4.69 0.00 1.55 1.44 0.58 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.01 4.41 0.00 4.06 4.05 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 50 H 8.66 4.27 0.00 3.09 3.30 0.00 5.96 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 51 G 9.00 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 0.00 0.00 0.00 52 S 8.06 4.07 0.00 4.04 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 53 A 8.52 4.01 1.28 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 0.00 0.00 0.00 54 Q 7.82 3.64 0.00 1.74 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.85 0.00 0.00 0.00 0.00 0.00 1.84 2.12 0.00 55 V 7.29 3.77 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 1.14 0.00 0.00 1.18 0.00 0.00 56 K 8.12 3.98 0.00 2.05 1.87 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.63 7.81 57 G 8.12 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.78 4.66 0.00 3.71 3.62 0.00 5.80 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 59 G 8.62 3.71 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 0.00 0.00 0.00 60 K 8.01 4.04 0.00 1.86 1.98 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.50 7.81 61 K 7.94 4.06 0.00 2.07 1.94 0.00 1.94 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.74 7.81 62 V 7.97 3.63 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 1.05 0.00 0.00 0.91 0.00 0.00 63 A 8.14 4.24 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 64 D 8.44 4.46 0.00 2.76 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 65 A 7.88 4.01 1.38 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 0.00 0.00 0.00 66 L 8.03 3.93 0.00 1.82 1.21 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.33 3.83 4.54 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 1.40 0.00 0.00 68 N 8.45 4.29 0.00 2.94 2.98 0.00 0.00 7.16 8.95 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 69 A 7.77 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.50 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 0.90 0.00 0.00 0.24 0.00 0.00 71 A 7.89 4.13 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 72 H 7.95 4.90 0.00 3.32 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.56 3.72 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 0.68 0.00 0.00 1.02 0.00 0.00 74 D 7.99 4.70 0.00 2.69 2.75 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 0.00 0.00 0.00 0.00 75 D 8.36 4.82 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.63 4.03 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.68 0.00 77 P 0.00 4.22 0.00 2.00 2.11 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 78 N 8.10 4.46 0.00 2.97 2.87 0.00 0.00 6.90 7.11 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 79 A 7.76 4.19 1.22 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 80 L 7.70 4.57 0.00 1.75 1.61 0.85 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.00 4.05 0.00 3.85 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 82 A 7.94 4.02 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 83 L 7.85 4.08 0.00 1.85 1.80 0.95 0.90 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 84 S 8.42 4.08 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 85 D 8.10 4.29 0.00 2.89 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 86 L 8.02 3.96 0.00 1.77 1.81 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.60 4.25 0.00 3.53 3.52 0.00 5.86 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 88 A 8.18 4.18 1.38 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 0.00 0.00 0.00 89 H 8.36 4.69 0.00 3.28 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.09 4.33 0.00 1.95 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.45 7.81 91 L 8.18 4.05 0.00 1.55 1.65 0.68 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.87 3.78 0.00 2.00 2.03 0.00 3.22 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 93 V 7.67 3.51 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 0.10 0.00 0.00 0.52 0.00 0.00 94 D 8.71 4.51 0.00 2.89 2.84 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 95 P 0.00 4.33 0.00 2.20 2.06 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 96 V 8.12 3.62 2.36 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 1.03 0.00 0.00 0.94 0.00 0.00 97 N 8.55 4.37 0.00 2.68 2.65 0.00 0.00 6.97 8.47 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 98 F 8.34 3.93 0.00 3.24 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 99 K 7.87 3.97 0.00 1.94 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 L 7.49 3.64 0.00 1.53 0.95 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.84 3.93 0.00 1.62 1.51 0.84 0.69 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 0.00 102 S 8.26 4.15 0.00 3.94 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 0.00 103 H 8.16 4.21 0.00 3.32 3.43 0.00 5.79 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 0.00 104 C 8.06 4.09 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 0.00 105 L 8.04 3.99 0.00 2.03 1.82 1.09 0.55 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 0.00 106 L 8.25 4.06 0.00 1.89 1.90 1.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.94 3.37 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 1.02 0.00 0.00 0.79 0.00 0.00 108 T 7.71 3.69 4.32 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 0.95 0.00 0.00 109 L 7.97 3.65 0.00 1.71 1.72 1.21 1.03 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 0.00 110 A 7.21 2.94 0.54 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 0.00 0.00 111 A 7.78 3.94 1.22 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 0.00 112 H 7.43 4.70 0.00 2.46 3.12 0.00 5.60 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 0.00 113 L 7.66 4.88 0.00 1.81 1.58 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.23 0.00 2.18 2.17 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 115 A 7.99 4.16 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 0.00 116 E 8.10 4.18 0.00 2.02 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 0.00 2.33 2.38 0.00 117 F 7.68 4.46 0.00 3.03 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 0.00 118 T 7.20 4.32 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 1.24 0.00 0.00 119 P 0.00 4.08 0.00 2.14 2.12 0.00 3.56 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 2.15 0.00 120 A 7.79 3.94 1.28 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 0.00 0.00 0.00 121 V 7.57 3.51 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 1.12 0.00 0.00 0.93 0.00 0.00 122 H 8.11 3.66 0.00 2.50 3.16 0.00 5.68 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 0.00 123 A 7.64 3.94 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 0.00 124 S 7.99 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 0.00 125 L 8.27 4.20 0.00 1.94 1.94 1.15 1.26 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 0.00 126 D 8.44 4.41 0.00 2.97 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 0.00 127 K 8.24 4.05 0.00 2.03 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.46 7.81 128 F 8.67 4.22 0.00 3.04 3.26 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 0.00 129 L 8.52 3.69 0.00 1.72 1.68 1.05 0.57 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 0.00 130 A 8.12 3.95 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 0.00 131 S 8.02 3.95 0.00 3.90 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 0.00 132 V 7.33 3.37 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 0.88 0.00 0.00 0.28 0.00 0.00 133 S 7.98 3.85 0.00 3.94 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 0.00 134 T 7.89 3.68 4.31 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 1.13 0.00 0.00 135 V 7.39 3.61 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 0.77 0.00 0.00 0.89 0.00 0.00 136 L 7.69 4.13 0.00 1.39 1.54 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 137 T 6.98 4.32 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 0.42 0.00 0.00 138 S 7.41 4.17 0.00 4.04 4.15 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 0.00 139 K 7.95 4.34 0.00 2.01 2.00 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.43 7.81 *140 Y 7.87 4.16 0.00 2.33 2.21 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 0.00 141 R 7.56 4.22 0.00 1.84 1.83 0.00 3.02 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.