NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5113 8.3044 120.2828 55.5624 34.4761 176.2759 2 D 4.5623 7.3215 120.6297 52.7235 39.4178 173.8967 3 F 4.9848 8.9218 120.7721 57.2629 41.0128 175.1931 4 R 4.9143 9.3752 120.4699 54.5408 34.2250 174.1838 5 I 4.9306 8.4659 115.3952 59.3066 40.8096 174.5065 6 G 4.3662 9.0857 110.4233 44.5789 0.0000 171.2869 7 Q 5.2313 8.7370 118.1889 54.1342 31.8573 174.6945 8 G 4.3990 9.3334 107.8369 44.8446 0.0000 170.7866 9 Y 5.3614 8.5397 122.2129 55.8761 42.0957 173.6377 10 D 4.6981 8.4464 124.7920 52.7490 45.4163 174.1199 11 V 4.9442 7.7989 122.0175 60.6328 34.5143 173.7644 12 H 5.0222 9.0613 119.3673 54.0736 33.4745 172.9274 13 Q 4.6017 8.7024 119.8000 55.9470 30.3270 175.0997 14 L 5.0125 8.6347 123.3168 53.8969 42.5355 176.6097 15 V 4.6805 9.2378 118.0804 58.7045 35.4353 173.7199 16 P 4.7346 0.0000 0.0000 61.6059 32.7120 176.1358 17 G 4.1910 8.0307 108.4266 44.9728 0.0000 173.7381 18 R 4.1129 7.6913 117.7539 55.0695 31.1567 174.7543 19 P 4.5091 0.0000 0.0000 62.7504 32.5283 175.5969 20 L 4.3434 8.5825 125.4105 54.5326 43.2408 175.2001 21 I 5.0251 8.3255 127.4758 59.6211 40.6226 174.9292 22 I 4.5030 8.2628 128.1572 60.3040 39.6336 176.1210 23 G 3.9941 9.9803 113.8048 46.5859 0.0000 175.0925 24 G 3.9516 9.1276 108.3208 44.7657 0.0000 174.3527 25 V 4.1057 7.3596 120.0149 61.4604 32.6834 174.5384 26 T 4.6953 8.4002 124.1735 63.1395 69.0081 173.9528 27 I 4.2730 8.4650 128.6998 58.6030 38.9079 173.9989 28 P 4.3588 0.0000 0.0000 63.4706 31.5627 175.2522 29 Y 4.7994 8.2520 123.2807 56.3377 41.8748 173.8824 30 E 3.9214 8.0267 124.1003 58.7500 29.9087 176.9861 31 R 4.8048 7.0440 116.3380 54.4445 32.8390 175.3707 32 G 4.4154 9.2461 107.6003 43.3631 0.0000 171.3512 33 L 4.8819 8.3701 119.8484 53.8868 42.4701 176.6989 34 L 4.2460 8.6515 127.2342 54.7050 42.8729 176.2469 35 G 3.9873 8.1198 115.7442 46.4733 0.0000 173.2147 *36 H 4.4152 9.0643 115.6322 57.4437 28.9883 171.6319 37 S 4.7980 7.5630 121.7812 58.2550 61.0224 174.7819 38 D 4.4408 8.7964 118.2689 52.7986 39.4658 176.3968 39 A 3.6784 7.4433 120.0044 53.2236 16.6823 178.6103 40 D 4.6546 7.3519 121.8240 54.7946 40.5851 175.6311 41 V 4.4241 8.0360 128.8441 63.9855 31.3736 177.9847 42 L 3.8866 7.7986 120.2655 58.0038 42.0443 178.8360 43 L 4.0291 7.8623 118.8826 57.9287 41.4995 179.2413 44 H 4.2729 8.4655 116.3346 58.7920 28.6395 177.6593 45 A 4.0385 7.9351 122.2628 55.2359 18.2137 179.7911 46 I 3.6365 7.7935 118.3013 64.7045 37.1248 178.6439 47 T 3.6499 8.1246 116.8427 66.9363 68.2536 176.3775 48 D 4.5371 8.3161 120.3201 57.3151 40.8063 178.7239 49 A 4.0841 8.0813 121.4319 55.0527 18.3703 179.7763 50 L 3.8680 7.8946 117.5786 57.8957 41.7109 179.6562 51 F 4.5929 8.1898 118.0107 60.5616 38.9692 177.9302 52 G 3.6484 8.5952 105.4841 47.8643 0.0000 175.6353 53 A 4.1968 8.2230 123.3432 53.8479 18.4936 178.7013 54 A 3.2122 7.6939 116.0229 50.8648 19.7402 176.7435 55 A 3.6873 7.4191 119.0176 53.5952 16.5173 177.8067 56 L 4.6443 8.8526 117.0185 54.9229 43.4682 177.9850 57 G 4.0020 8.6943 109.0834 45.1349 0.0000 175.1410 58 D 4.9897 8.0589 125.3107 50.3314 42.7544 175.3155 59 I 4.2769 9.8137 118.8378 64.6557 37.5601 177.9832 60 G 3.7083 8.1318 104.3318 47.6241 0.0000 175.0155 61 R 3.9544 8.1877 119.7005 58.5257 30.1284 177.1379 62 H 4.2490 7.6449 114.1624 57.1958 30.1936 174.9026 63 F 4.8347 7.8068 120.8104 56.2004 40.5897 173.4183 *74 D 4.4102 8.3567 125.4984 54.2534 41.6724 176.4425 75 S 4.1436 8.8027 114.8266 61.6167 62.4838 177.3446 76 R 3.9156 7.9947 120.4042 58.9892 29.7690 178.6268 77 A 3.9543 8.2431 120.6242 55.2027 18.3581 179.7027 78 L 3.6479 7.6250 116.9953 57.6854 41.5308 179.5393 79 L 3.8888 8.3155 120.7507 58.1799 42.1429 179.2585 80 R 3.9027 8.2285 118.2667 59.1996 30.0542 178.6685 81 E 4.0427 8.5712 119.4799 59.2185 29.6307 178.1697 82 C 3.9437 8.8027 119.0009 62.6525 31.5412 175.4008 83 A 3.9483 8.1183 122.2206 55.2365 17.7998 179.4742 84 S 4.0708 7.9881 110.9845 61.7946 62.5326 176.7581 85 R 4.0103 8.0750 120.5862 59.0419 29.9129 179.1116 86 V 3.7063 8.1029 118.0062 66.1530 31.4647 178.0090 87 A 4.4572 8.1693 121.7615 54.7465 17.9908 179.2291 88 Q 3.9051 8.3313 117.3089 59.3199 29.1853 178.0817 89 A 4.3128 8.0936 119.7814 53.0832 18.3571 178.1020 90 G 3.7627 8.4414 106.7877 44.7750 0.0000 172.7303 91 F 5.1052 8.1545 117.5763 55.5034 41.7372 174.5395 92 A 4.9175 9.1876 123.8850 50.2128 21.7139 175.7814 93 I 4.1924 8.3531 122.5056 61.4813 37.5892 175.8576 94 R 4.5238 9.3437 127.1353 58.0253 31.0489 176.3056 95 N 5.1208 7.7389 113.6936 51.9428 40.9629 173.0034 96 V 4.9279 8.6482 119.2272 61.2201 34.7991 173.8028 97 D 5.5433 9.0662 126.4298 51.9330 44.8223 174.2928 98 S 5.1118 8.1118 115.1425 58.0494 66.5154 173.3757 99 T 4.9385 8.9965 117.0920 62.0795 72.7569 172.9537 100 I 4.7195 9.1410 127.2167 59.8337 39.6492 174.6848 101 I 4.9024 8.8400 128.3907 59.8091 38.8505 174.7628 102 A 4.7366 8.7250 129.2610 50.6168 21.6369 175.8531 103 Q 3.9764 9.0204 124.2066 58.4905 29.5498 176.1528 104 A 4.6102 7.4414 117.6381 49.7805 22.2559 173.7722 105 P 4.6262 0.0000 0.0000 60.8265 33.7320 175.3462 106 K 4.0127 8.4600 117.6283 57.1717 32.2928 176.9144 107 L 4.5392 8.4165 121.8009 55.0952 44.1203 178.3302 108 A 3.9623 8.2949 121.8302 54.9768 18.0633 177.5132 109 P 4.4522 0.0000 0.0000 64.3757 31.6673 177.1390 110 H 4.8386 8.1278 115.0755 55.3734 29.7218 175.9987 111 I 3.6845 7.5325 122.4445 64.7168 36.9326 177.8754 112 D 4.3198 8.0862 118.7615 57.2556 40.6038 178.6017 113 A 3.9811 7.9297 120.9002 55.1936 18.4762 179.3081 114 M 4.2164 7.8624 118.4262 58.1671 32.0631 179.1132 115 R 3.9109 8.2645 118.0557 59.2314 30.2315 179.0264 116 A 3.9730 8.1792 120.6035 55.1680 18.4007 179.3242 117 N 4.2583 8.3234 115.1275 56.6049 38.6710 177.7447 118 I 3.6700 7.8812 120.7528 64.2597 37.2234 178.2790 119 A 3.9756 8.1576 121.4413 55.0807 18.2413 179.5197 120 A 3.8900 8.0054 119.0754 55.6153 18.3204 179.6228 121 D 4.3514 8.0223 115.8658 56.9088 40.9653 178.1244 122 L 4.3472 7.8374 116.4081 53.2356 43.0995 175.6490 123 D 4.3686 7.7944 117.7196 55.6203 39.8576 172.8015 124 L 4.9038 8.2370 117.7742 51.9103 45.8525 175.7128 125 P 4.4951 0.0000 0.0000 62.3697 32.3799 177.3314 126 L 3.9959 8.5910 119.8625 58.0560 41.6168 178.8250 127 D 4.6140 8.0512 115.2329 54.7145 39.9083 176.5372 128 R 4.6213 8.0749 118.9311 55.9069 31.6450 175.2597 129 V 4.9011 7.7945 119.0089 61.1020 33.9640 174.3839 130 N 5.0882 9.1720 125.6335 51.7990 42.5518 172.9355 131 V 4.7799 8.3386 124.2493 59.9606 34.3818 174.5155 132 K 4.8424 9.0127 126.3526 54.5297 35.7006 174.8378 133 A 5.2529 8.4274 122.6209 50.3466 21.9959 175.6621 134 K 4.7478 9.1634 119.6162 55.0163 37.0911 176.2482 135 T 4.7837 8.4262 113.2210 60.5750 71.2144 173.7317 136 N 4.7296 8.6893 116.4863 52.4911 39.0579 174.2276 137 E 3.5620 8.3786 112.5069 57.3759 27.5826 174.8724 138 K 4.1240 8.1963 110.1300 56.5687 30.1822 175.4027 139 L 4.5233 7.7337 118.7208 53.8645 43.7868 178.3799 140 G 4.1057 8.5169 112.3681 45.4565 0.0000 173.1317 141 Y 4.2155 8.3094 115.9119 60.2439 37.8184 178.0973 142 L 4.1041 7.0108 120.5008 57.4790 41.2734 179.4976 143 G 3.6183 8.0101 105.6431 47.3716 0.0000 175.3905 144 R 4.3255 7.9260 118.2967 56.4233 30.3001 177.2438 145 G 3.9485 7.6488 106.6795 46.2597 0.0000 174.6553 146 E 4.1891 8.8471 121.3159 57.8348 29.8547 176.5147 147 G 4.2157 7.3530 105.1281 45.1471 0.0000 171.9753 148 I 4.8170 8.4273 119.1943 59.4072 40.9373 174.8236 149 E 5.1431 8.9117 126.5016 54.4376 32.6509 174.3494 150 A 5.2325 8.9007 125.8670 50.2650 22.7744 175.0034 151 Q 5.2626 9.2540 119.8802 54.2257 32.6385 174.6656 152 A 5.2442 9.0443 122.5933 50.4988 23.3435 174.9394 153 A 5.2302 9.2242 121.2204 50.1990 22.9683 175.1817 154 A 5.0777 8.9839 121.7028 50.2219 23.2371 174.7124 155 L 5.1174 8.7482 123.9308 53.4474 44.6936 175.7448 156 V 5.2161 8.8643 118.4542 59.7750 36.5932 174.6080 157 V 5.0155 8.9488 120.3756 60.3212 34.9357 175.2287 158 R 4.5073 8.3420 118.8387 55.5055 28.9762 175.7113 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 8.30 4.51 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 2 D 7.32 4.56 0.00 2.78 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.92 4.98 0.00 3.01 2.98 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 4 R 9.38 4.91 0.00 1.56 1.72 0.00 3.30 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 5 I 8.47 4.93 1.88 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 1.29 0.94 0.93 0.00 0.00 6 G 9.09 4.37 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 0.00 7 Q 8.74 5.23 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 8 G 9.33 4.40 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 0.00 9 Y 8.54 5.36 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.70 0.00 2.74 2.45 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 11 V 7.80 4.94 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 0.77 0.00 0.00 1.09 0.00 0.00 12 H 9.06 5.02 0.00 3.05 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.70 4.60 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 14 L 8.63 5.01 0.00 1.59 1.74 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.24 4.68 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 0.87 0.00 0.00 1.01 0.00 0.00 16 P 0.00 4.73 0.00 2.05 2.00 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 17 G 8.03 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 0.00 0.00 0.00 18 R 7.69 4.11 0.00 1.90 1.87 0.00 3.25 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 19 P 0.00 4.51 0.00 2.07 2.05 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 20 L 8.58 4.34 0.00 2.11 1.85 0.90 0.83 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 21 I 8.33 5.03 1.83 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 1.32 1.11 0.87 0.00 0.00 22 I 8.26 4.50 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.05 0.86 0.00 0.00 23 G 9.98 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 0.00 0.00 0.00 24 G 9.13 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 25 V 7.36 4.11 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 0.95 0.00 0.00 1.00 0.00 0.00 26 T 8.40 4.70 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 1.20 0.00 0.00 27 I 8.47 4.27 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.54 0.77 0.00 0.00 28 P 0.00 4.36 0.00 1.98 2.05 0.00 3.71 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 2.06 2.11 0.00 29 Y 8.25 4.80 0.00 2.75 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.03 3.92 0.00 1.96 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 1.63 1.96 0.00 31 R 7.04 4.80 0.00 1.81 1.96 0.00 3.38 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 32 G 9.25 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.37 4.88 0.00 1.49 1.56 0.99 0.95 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 34 L 8.65 4.25 0.00 1.65 1.59 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.12 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 0.00 0.00 0.00 *36 H 9.06 4.42 0.00 2.95 2.99 0.00 7.20 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.56 4.80 0.00 3.94 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 38 D 8.80 4.44 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.44 3.68 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 40 D 7.35 4.65 0.00 2.79 2.43 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 41 V 8.04 4.42 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 0.55 0.00 0.00 1.04 0.00 0.00 42 L 7.80 3.89 0.00 1.74 1.80 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.86 4.03 0.00 1.62 1.68 0.93 1.35 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 44 H 8.47 4.27 0.00 3.46 3.37 0.00 5.64 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 45 A 7.94 4.04 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 46 I 7.79 3.64 1.85 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 1.51 0.62 0.87 0.00 0.00 47 T 8.12 3.65 4.45 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 1.19 0.00 0.00 48 D 8.32 4.54 0.00 2.89 2.82 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 49 A 8.08 4.08 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 50 L 7.89 3.87 0.00 1.61 1.52 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.19 4.59 0.00 3.21 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.60 3.65 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 0.00 0.00 0.00 53 A 8.22 4.20 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 54 A 7.69 3.21 1.23 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 0.00 0.00 0.00 55 A 7.42 3.69 1.36 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 0.00 0.00 0.00 56 L 8.85 4.64 0.00 1.68 1.69 1.17 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.69 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.06 4.99 0.00 2.92 2.68 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 59 I 9.81 4.28 2.23 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 1.10 0.00 0.00 60 G 8.13 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 61 R 8.19 3.95 0.00 1.85 1.86 0.00 3.09 0.00 0.00 3.03 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 62 H 7.64 4.25 0.00 2.24 2.18 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.81 4.83 0.00 3.04 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.41 0.00 3.18 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 75 S 8.80 4.14 0.00 3.85 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 76 R 7.99 3.92 0.00 1.98 2.04 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 77 A 8.24 3.95 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 78 L 7.63 3.65 0.00 1.71 1.28 0.65 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.32 3.89 0.00 1.79 1.79 0.85 0.86 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 80 R 8.23 3.90 0.00 2.05 1.97 0.00 3.18 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 81 E 8.57 4.04 0.00 2.25 2.32 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 2.76 2.79 0.00 82 C 8.80 3.94 0.00 2.84 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 83 A 8.12 3.95 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 84 S 7.99 4.07 0.00 3.98 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 85 R 8.08 4.01 0.00 2.31 2.11 0.00 3.16 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 86 V 8.10 3.71 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.93 0.00 0.00 87 A 8.17 4.46 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 3.91 0.00 2.22 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 89 A 8.09 4.31 1.68 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 0.00 0.00 90 G 8.44 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 0.00 0.00 0.00 91 F 8.15 5.11 0.00 3.19 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 92 A 9.19 4.92 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 93 I 8.35 4.19 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.91 0.00 0.00 94 R 9.34 4.52 0.00 1.90 2.07 0.00 3.48 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 95 N 7.74 5.12 0.00 2.86 2.88 0.00 0.00 5.55 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 96 V 8.65 4.93 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 0.92 0.00 0.00 0.91 0.00 0.00 97 D 9.07 5.54 0.00 2.80 2.44 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 98 S 8.11 5.11 0.00 3.97 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 99 T 9.00 4.94 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 1.21 0.00 0.00 100 I 9.14 4.72 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.70 0.91 0.00 0.00 101 I 8.84 4.90 1.85 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 1.15 0.63 0.91 0.00 0.00 102 A 8.73 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 9.02 3.98 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 104 A 7.44 4.61 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 0.00 105 P 0.00 4.63 0.00 2.11 1.95 0.00 3.34 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.44 0.00 106 K 8.46 4.01 0.00 1.77 1.80 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.41 7.81 107 L 8.42 4.54 0.00 1.65 1.66 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.29 3.96 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 0.00 109 P 0.00 4.45 0.00 1.80 2.01 0.00 3.54 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 110 H 8.13 4.84 0.00 3.30 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.53 3.68 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.95 0.92 0.00 0.00 112 D 8.09 4.32 0.00 2.67 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 0.00 113 A 7.93 3.98 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 0.00 114 M 7.86 4.22 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.60 0.00 115 R 8.26 3.91 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 116 A 8.18 3.97 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 0.00 117 N 8.32 4.26 0.00 2.98 2.87 0.00 0.00 7.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.88 3.67 1.86 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 1.43 0.96 0.89 0.00 0.00 119 A 8.16 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 3.89 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 0.00 121 D 8.02 4.35 0.00 2.84 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 0.00 122 L 7.84 4.35 0.00 1.66 1.68 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.79 4.37 0.00 2.78 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 0.00 124 L 8.24 4.90 0.00 1.57 1.51 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.50 0.00 2.40 2.18 0.00 3.72 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 2.16 1.99 0.00 126 L 8.59 4.00 0.00 1.73 1.77 0.92 0.95 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 0.00 127 D 8.05 4.61 0.00 2.78 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 0.00 128 R 8.07 4.62 0.00 1.93 2.08 0.00 3.08 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.79 4.90 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 0.79 0.00 0.00 0.93 0.00 0.00 130 N 9.17 5.09 0.00 2.84 2.73 0.00 0.00 6.19 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 0.00 131 V 8.34 4.78 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 1.19 0.00 0.00 0.92 0.00 0.00 132 K 9.01 4.84 0.00 1.75 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 A 8.43 5.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 9.16 4.75 0.00 1.58 1.62 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.43 4.78 4.38 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 1.19 0.00 0.00 136 N 8.69 4.73 0.00 2.75 2.69 0.00 0.00 7.79 7.45 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 0.00 137 E 8.38 3.56 0.00 2.13 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 2.24 2.39 0.00 138 K 8.20 4.12 0.00 1.89 1.89 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.40 7.81 139 L 7.73 4.52 0.00 1.80 1.51 0.90 0.90 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 0.00 140 G 8.52 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 0.00 0.00 0.00 141 Y 8.31 4.22 0.00 3.35 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 0.00 142 L 7.01 4.10 0.00 1.46 1.64 0.83 1.11 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 0.00 143 G 8.01 3.62 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 0.00 0.00 0.00 144 R 7.93 4.33 0.00 1.87 2.03 0.00 3.24 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 145 G 7.65 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 0.00 146 E 8.85 4.19 0.00 2.31 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 2.38 2.33 0.00 147 G 7.35 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 0.00 0.00 0.00 0.00 148 I 8.43 4.82 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.01 0.94 0.00 0.00 149 E 8.91 5.14 0.00 2.09 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 150 A 8.90 5.23 1.16 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 0.00 0.00 151 Q 9.25 5.26 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 152 A 9.04 5.24 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 9.22 5.23 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 0.00 154 A 8.98 5.08 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 0.00 155 L 8.75 5.12 0.00 1.81 1.71 1.05 0.83 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 0.00 156 V 8.86 5.22 2.22 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 0.69 0.00 0.00 0.67 0.00 0.00 157 V 8.95 5.02 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 0.64 0.00 0.00 0.17 0.00 0.00 158 R 8.34 4.51 0.00 1.43 1.05 0.00 2.94 0.00 0.00 2.88 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 * Residues marked with a * may have inaccurate shift predictions.