NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3168 8.0333 117.3699 62.6338 70.3378 174.3074 4 P 3.7690 0.0000 0.0000 64.9606 31.3486 177.4209 5 S 4.1265 8.0978 111.7028 61.5981 62.8553 175.2814 6 M 3.9872 7.9664 120.4372 58.7125 31.9148 177.9176 7 E 4.0015 8.3804 119.0249 59.3291 29.5664 178.9758 8 D 4.4073 8.1677 119.0857 57.4713 40.8560 178.4564 9 Y 3.8530 8.2856 117.1383 61.2504 37.9660 178.6162 10 I 3.8273 7.9279 120.6700 64.2360 37.2434 178.1269 11 E 3.9504 8.4327 120.1956 59.5370 29.5775 178.9591 12 Q 4.0239 8.2371 118.0408 58.9811 28.7614 178.8322 13 I 3.7260 8.2866 121.2484 64.6081 37.2725 177.8081 14 Y 4.0269 8.1510 120.3015 61.0551 38.6086 178.1388 15 M 4.1275 8.2015 119.4030 58.2714 31.9493 178.7814 16 L 3.9249 8.0166 119.2440 57.7881 41.7787 179.5856 17 I 3.5463 7.6798 119.7850 64.4105 36.7790 178.3725 18 E 3.8790 7.6444 118.2185 58.6023 29.2706 178.7101 19 E 4.0230 7.8340 118.8354 58.7460 30.0578 177.9501 20 K 4.1005 8.3648 116.4830 55.8715 33.0932 177.6829 21 G 3.8825 8.9376 106.7877 44.9286 0.0000 172.0864 22 Y 4.5603 6.2184 114.9773 56.2826 40.2580 173.4520 23 A 4.5904 8.4775 122.0385 49.9430 21.3338 176.3943 24 R 4.4472 8.4300 121.8423 55.2350 33.0186 177.7045 25 V 3.6270 8.2597 121.3308 66.3052 31.5043 178.6362 26 S 4.1268 8.0283 113.3981 61.6970 62.8513 176.1430 27 D 4.3638 8.0484 122.0777 56.9287 40.6202 178.6546 28 I 3.6184 7.9306 120.1716 64.1553 37.0500 178.1280 29 A 3.9590 8.1351 121.7250 55.5345 17.7325 179.6872 30 E 3.8774 8.2003 116.5983 59.2725 29.2332 179.4901 31 A 4.0341 7.8762 120.4416 54.2972 18.5016 178.6556 32 L 4.2941 7.6590 114.1735 53.0487 43.0382 176.4470 33 A 3.7195 7.3779 120.3466 53.2778 16.3544 175.9716 34 V 4.5476 7.8257 112.7660 59.9153 36.7141 175.4826 35 H 4.7779 8.4309 117.4332 54.1527 29.9413 175.0050 36 P 4.3686 0.0000 0.0000 66.2401 30.7115 178.9745 37 S 4.1721 8.0840 113.6674 61.4373 63.2532 176.4533 38 S 4.1518 8.2488 118.8825 61.1751 62.5569 176.6713 39 V 3.8958 7.9265 120.3435 66.6599 31.4085 177.7870 40 T 4.0123 7.9507 115.2761 66.9072 68.0655 176.6375 41 K 4.0127 7.9927 119.6898 59.5789 31.9491 179.1603 42 M 3.9219 7.8255 118.2238 58.4815 32.0157 178.3204 43 V 3.6377 8.2203 118.8579 66.2109 31.5738 178.0943 44 Q 4.0067 8.0223 117.3537 58.7712 28.5547 178.5643 45 K 3.9795 7.7269 119.3431 59.4951 32.1841 178.9348 46 L 4.2021 8.2890 119.6521 57.6742 41.4923 178.9677 47 D 5.0389 8.3834 119.6346 57.0738 41.0323 178.5885 48 K 4.0859 8.0575 117.5561 59.1998 32.0899 178.1708 49 D 4.6205 8.0277 116.4913 53.7203 40.9380 176.0914 50 E 3.7851 7.8339 117.8975 57.8257 27.4567 174.9890 51 Y 4.6012 8.2060 118.8178 59.6147 39.8159 175.4236 52 L 5.0047 7.8369 117.5164 54.8660 44.6373 174.1768 53 I 4.7710 10.2072 120.6354 58.9062 39.6797 175.6828 54 Y 4.7147 8.4091 126.7970 57.4738 44.4494 170.6124 *59 G 3.8631 7.8567 107.6472 45.5097 0.0000 171.5847 60 L 4.5707 8.1521 121.7755 54.9959 41.8513 176.1397 61 V 4.5262 8.2355 122.0960 60.9334 34.3453 174.4712 62 L 4.9188 8.5567 127.2214 54.6444 42.8961 176.8970 63 T 4.4375 8.6539 113.8204 60.7031 70.7198 175.7243 64 S 4.1504 8.7480 115.9685 61.4788 62.7029 176.3979 65 K 4.0388 8.0654 122.8727 59.3317 32.0044 178.9597 66 G 3.8747 8.1384 106.0498 47.7797 0.0000 175.9286 67 K 4.2895 8.4603 120.9330 59.1243 32.1634 179.6483 68 K 3.9481 8.1219 118.8084 59.6166 31.9689 179.5138 69 I 3.8863 7.8853 120.1374 64.1890 37.0418 178.6788 70 G 3.3913 8.2301 106.7078 47.6618 0.0000 175.5063 71 K 3.2897 7.5110 122.5490 58.9480 32.0597 179.0284 72 R 4.0693 7.8067 118.0239 59.3516 30.0222 179.0915 73 L 4.0642 8.2193 119.0177 57.7796 41.5169 179.7745 74 V 3.6574 7.8842 118.3329 65.9315 31.3694 177.4515 75 Y 4.1152 8.1699 119.4273 60.7221 38.6737 178.0030 76 R 3.6745 8.4063 119.7552 59.5871 30.1454 177.9225 77 H 3.9155 8.2939 117.8900 59.2572 29.9268 176.7816 78 E 3.9589 8.4056 121.3387 59.1636 29.3542 178.5013 79 L 3.8267 7.8564 120.5291 58.2139 42.1543 179.0277 80 L 4.0726 7.7795 118.8896 57.7232 41.4854 179.4012 81 E 3.9509 8.1873 118.7276 59.3958 29.3533 179.0829 82 Q 3.9763 8.1370 119.6460 59.0077 29.1938 178.0939 83 F 4.2847 8.5267 121.8362 61.5565 39.5522 177.1845 84 L 3.4268 7.8426 118.4732 57.3927 41.3185 179.6250 85 R 3.7993 8.0008 118.7671 59.4874 29.8425 178.6498 86 I 3.6620 7.6368 118.8112 63.9266 37.1301 177.5085 87 I 3.9125 7.0241 110.8798 60.7864 37.5999 176.4492 88 G 3.7861 7.5007 108.3370 45.6941 0.0000 174.0876 89 V 3.6363 7.3219 118.9499 61.8919 32.1393 175.7824 90 D 4.3400 8.6676 125.9267 54.8172 41.0006 176.9439 91 E 3.8709 9.1281 124.5524 59.8728 29.2154 178.8029 92 E 4.0767 8.1527 116.2963 58.2868 29.7822 178.1451 93 K 4.3739 8.1838 117.9982 56.9936 32.6576 178.6547 94 I 3.6314 7.3494 120.5991 64.4663 36.9888 177.2993 95 Y 4.0157 8.0688 119.6268 61.1082 38.5075 177.9944 96 N 4.2631 8.2558 116.6063 56.2311 38.6620 177.1463 97 D 4.2855 7.8946 120.3245 57.2787 40.9670 178.8626 98 V 3.4685 7.8507 118.9574 66.0763 31.2642 177.8946 99 E 4.1327 7.3482 118.8201 58.5671 29.2334 179.2444 100 G 3.7483 7.4780 105.4570 47.2167 0.0000 175.4567 101 I 4.0863 7.8390 115.2062 62.5528 37.5183 177.6336 102 E 3.6880 8.0410 119.1051 59.4597 29.1700 178.5014 103 H 4.5224 7.7784 113.8678 57.0533 29.2202 175.3189 104 H 4.7860 8.1244 115.5968 55.1397 28.9429 173.7914 105 L 4.5973 7.3626 119.9187 52.6645 43.5538 177.2213 106 S 4.2978 8.1985 118.0697 57.7838 65.1965 175.4388 107 W 4.1321 8.5259 121.8526 59.5463 28.7691 178.3603 108 N 4.3723 8.2659 116.9636 56.8174 38.4474 176.9055 109 S 4.0929 7.8500 116.4465 61.6436 62.8905 176.7206 110 I 3.6264 7.6949 122.4491 64.5186 36.8419 178.2469 111 D 4.4934 8.6002 119.9836 57.5858 40.6621 179.1470 112 R 3.9769 8.1354 118.5486 59.2281 29.9656 179.2077 113 I 3.6740 8.0350 120.0134 63.9335 36.9487 178.6764 114 G 3.6706 8.1930 106.9190 48.0142 0.0000 175.5884 115 D 4.4721 8.1921 121.3994 56.7728 40.8880 178.6748 116 L 3.9705 7.8901 121.1814 58.1000 42.1251 179.1579 117 V 3.8742 8.1538 118.4005 66.1269 31.4789 177.7177 118 Q 4.0212 8.2402 119.3651 59.2459 28.6574 177.3327 119 Y 4.0339 8.0132 119.5957 61.1834 38.7118 178.3270 120 F 4.2325 8.2614 117.8042 60.2702 38.7740 177.4931 121 E 4.0019 8.1460 117.8469 58.5388 29.4519 178.1484 122 E 4.4734 7.9961 115.9594 56.7936 30.3818 176.4302 123 D 4.3317 7.4232 120.6088 52.1949 42.7778 175.1660 124 D 4.5078 8.7550 128.1843 55.8847 39.3186 178.0155 125 A 4.0701 8.4525 122.8295 55.0426 18.3714 179.7499 126 R 3.9900 8.0732 117.0016 59.3192 30.0791 179.3484 127 K 4.1225 8.0388 118.0147 59.2951 32.1533 179.4523 128 K 4.0390 7.9953 118.6519 59.5450 31.8201 179.1944 129 D 4.4321 8.3036 119.2761 57.1701 40.6796 178.6069 130 L 4.0423 8.0511 120.9341 57.9436 41.8813 178.8740 131 K 3.9415 8.0038 118.7922 59.4160 32.3584 178.6276 132 S 4.2833 8.0545 115.4840 61.8372 62.6982 176.7690 133 I 3.7549 7.5231 122.3468 64.5296 36.5695 178.5427 134 Q 4.0093 7.6707 117.6436 58.7244 28.5061 178.7055 135 K 4.1413 7.7226 119.1559 59.0827 32.2023 177.1949 136 K 4.1670 7.5811 122.2825 56.6266 32.0405 176.6542 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 3 T 8.03 4.32 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 1.21 0.00 0.00 4 P 0.00 3.77 0.00 2.13 1.88 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 5 S 8.10 4.13 0.00 3.91 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 6 M 7.97 3.99 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 7 E 8.38 4.00 0.00 2.22 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 2.32 2.49 0.00 8 D 8.17 4.41 0.00 3.01 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 9 Y 8.29 3.85 0.00 3.21 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 10 I 7.93 3.83 1.84 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.93 0.00 0.00 11 E 8.43 3.95 0.00 2.16 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 0.00 2.34 2.39 0.00 12 Q 8.24 4.02 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 13 I 8.29 3.73 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.96 0.97 0.00 0.00 14 Y 8.15 4.03 0.00 3.24 3.17 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 15 M 8.20 4.13 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.71 0.00 16 L 8.02 3.92 0.00 1.82 1.79 0.90 0.57 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 17 I 7.68 3.55 1.81 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 1.50 0.77 0.80 0.00 0.00 18 E 7.64 3.88 0.00 1.96 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 0.00 1.87 2.07 0.00 19 E 7.83 4.02 0.00 1.95 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 2.20 2.27 0.00 20 K 8.36 4.10 0.00 1.29 0.85 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.23 7.81 21 G 8.94 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 22 Y 6.22 4.56 0.00 2.97 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 23 A 8.48 4.59 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 24 R 8.43 4.45 0.00 1.91 1.85 0.00 3.13 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 25 V 8.26 3.63 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 1.23 0.00 0.00 0.95 0.00 0.00 26 S 8.03 4.13 0.00 4.10 4.13 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 27 D 8.05 4.36 0.00 2.87 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 28 I 7.93 3.62 2.02 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 1.44 0.77 0.81 0.00 0.00 29 A 8.14 3.96 1.46 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 0.00 0.00 0.00 30 E 8.20 3.88 0.00 2.03 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 2.31 2.47 0.00 31 A 7.88 4.03 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 32 L 7.66 4.29 0.00 1.43 1.53 -0.21 0.73 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 33 A 7.38 3.72 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 34 V 7.83 4.55 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 0.83 0.00 0.00 1.00 0.00 0.00 35 H 8.43 4.78 0.00 3.22 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.37 0.00 2.31 2.38 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 37 S 8.08 4.17 0.00 4.10 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 0.00 38 S 8.25 4.15 0.00 4.17 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 39 V 7.93 3.90 2.35 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 1.30 0.00 0.00 1.05 0.00 0.00 40 T 7.95 4.01 4.43 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 1.28 0.00 0.00 41 K 7.99 4.01 0.00 2.01 1.84 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 42 M 7.83 3.92 0.00 1.69 1.41 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.89 0.00 43 V 8.22 3.64 2.38 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 1.37 0.00 0.00 1.09 0.00 0.00 44 Q 8.02 4.01 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 45 K 7.73 3.98 0.00 1.85 1.91 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.49 7.81 46 L 8.29 4.20 0.00 1.95 1.84 0.94 1.11 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 47 D 8.38 5.04 0.00 2.88 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 48 K 8.06 4.09 0.00 2.02 1.88 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.53 7.81 49 D 8.03 4.62 0.00 3.01 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 50 E 7.83 3.79 0.00 1.94 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 2.19 2.34 0.00 51 Y 8.21 4.60 0.00 3.16 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 52 L 7.84 5.00 0.00 1.99 1.85 1.13 0.69 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 53 I 10.21 4.77 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.12 0.96 0.00 0.00 54 Y 8.41 4.71 0.00 3.10 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 *59 G 7.86 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 0.00 0.00 0.00 60 L 8.15 4.57 0.00 1.73 1.30 0.92 0.31 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 61 V 8.24 4.53 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 1.01 0.00 0.00 0.98 0.00 0.00 62 L 8.56 4.92 0.00 1.67 1.70 1.12 1.10 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 63 T 8.65 4.44 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 1.28 0.00 0.00 64 S 8.75 4.15 0.00 4.08 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 0.00 65 K 8.07 4.04 0.00 1.78 1.90 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.44 7.81 66 G 8.14 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 67 K 8.46 4.29 0.00 2.06 2.04 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.73 7.81 68 K 8.12 3.95 0.00 2.01 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.73 7.81 69 I 7.89 3.89 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.25 0.96 0.00 0.00 70 G 8.23 3.39 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 0.00 71 K 7.51 3.29 0.00 1.66 1.83 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.49 7.81 72 R 7.81 4.07 0.00 2.22 2.29 0.00 2.93 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 73 L 8.22 4.06 0.00 1.81 1.74 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.88 3.66 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 1.19 0.00 0.00 1.09 0.00 0.00 75 Y 8.17 4.12 0.00 3.18 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.41 3.67 0.00 2.14 2.06 0.00 2.77 0.00 0.00 2.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.00 77 H 8.29 3.92 0.00 3.46 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.41 3.96 0.00 2.17 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 2.32 2.36 0.00 79 L 7.86 3.83 0.00 1.22 1.45 0.90 0.89 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 80 L 7.78 4.07 0.00 1.77 1.69 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.19 3.95 0.00 2.20 2.02 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 2.31 2.46 0.00 82 Q 8.14 3.98 0.00 2.16 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 83 F 8.53 4.28 0.00 3.09 3.28 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 84 L 7.84 3.43 0.00 1.63 1.53 0.87 0.40 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 85 R 8.00 3.80 0.00 1.96 2.03 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 86 I 7.64 3.66 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.78 0.63 0.00 0.00 87 I 7.02 3.91 1.64 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.23 0.62 0.00 0.00 88 G 7.50 3.79 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 0.00 0.00 0.00 89 V 7.32 3.64 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 0.73 0.00 0.00 0.80 0.00 0.00 90 D 8.67 4.34 0.00 2.75 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 91 E 9.13 3.87 0.00 2.05 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 2.38 2.49 0.00 92 E 8.15 4.08 0.00 1.95 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 2.31 2.45 0.00 93 K 8.18 4.37 0.00 1.84 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.58 7.81 94 I 7.35 3.63 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.91 0.00 0.00 95 Y 8.07 4.02 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 96 N 8.26 4.26 0.00 2.79 2.86 0.00 0.00 7.05 8.08 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 97 D 7.89 4.29 0.00 2.88 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 98 V 7.85 3.47 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 0.69 0.00 0.00 0.85 0.00 0.00 99 E 7.35 4.13 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.78 0.00 100 G 7.48 3.75 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 0.00 0.00 0.00 101 I 7.84 4.09 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.71 0.91 0.00 0.00 102 E 8.04 3.69 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.73 0.00 103 H 7.78 4.52 0.00 2.92 3.21 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.12 4.79 0.00 3.04 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.36 4.60 0.00 1.41 1.41 0.81 0.85 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 0.00 106 S 8.20 4.30 0.00 4.06 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 0.00 107 W 8.53 4.13 0.00 3.48 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 0.00 108 N 8.27 4.37 0.00 2.89 2.84 0.00 0.00 7.25 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 0.00 109 S 7.85 4.09 0.00 3.94 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 0.00 110 I 7.69 3.63 2.16 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.27 1.08 0.00 0.00 111 D 8.60 4.49 0.00 2.97 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 0.00 112 R 8.14 3.98 0.00 1.93 1.93 0.00 3.28 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 113 I 8.04 3.67 1.81 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.44 0.35 0.00 0.00 114 G 8.19 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 0.00 115 D 8.19 4.47 0.00 2.86 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 0.00 116 L 7.89 3.97 0.00 1.88 1.90 0.98 1.14 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 0.00 117 V 8.15 3.87 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.12 0.00 0.00 118 Q 8.24 4.02 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 119 Y 8.01 4.03 0.00 2.93 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 0.00 120 F 8.26 4.23 0.00 3.36 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 0.00 121 E 8.15 4.00 0.00 2.14 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 2.74 2.54 0.00 122 E 8.00 4.47 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.18 0.00 123 D 7.42 4.33 0.00 2.36 2.35 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 0.00 124 D 8.76 4.51 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.45 4.07 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 0.00 126 R 8.07 3.99 0.00 1.96 1.88 0.00 2.62 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 127 K 8.04 4.12 0.00 1.98 1.84 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.58 1.77 7.81 128 K 8.00 4.04 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.67 7.81 129 D 8.30 4.43 0.00 2.94 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 0.00 130 L 8.05 4.04 0.00 1.96 1.83 0.97 -0.14 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 0.00 131 K 8.00 3.94 0.00 1.91 2.01 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.51 7.81 132 S 8.05 4.28 0.00 4.12 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 0.00 133 I 7.52 3.75 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 0.93 0.00 0.00 134 Q 7.67 4.01 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 135 K 7.72 4.14 0.00 1.87 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.83 1.62 7.81 136 K 7.58 4.17 0.00 1.84 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.