NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 K 4.3222 8.1733 122.1397 53.8872 34.1591 174.7871 1 L 5.1087 7.6640 118.2831 52.2352 43.1499 174.8216 2 A 4.2013 10.0566 127.7083 54.2273 20.4527 176.3978 3 Y 5.0598 7.9039 111.1768 56.7336 42.9704 174.5037 4 S 5.2462 9.2407 118.4662 56.4192 66.3227 173.3844 5 L 3.8741 8.6337 126.4807 54.9837 42.2899 176.8182 6 D 4.5208 9.4953 126.6824 53.2037 39.9711 176.3827 7 A 4.0717 8.3977 129.7197 55.0058 18.7568 179.0978 8 T 4.0656 7.8456 104.4984 64.1002 69.2762 175.5805 9 A 4.1924 7.8834 124.0500 53.5905 18.9183 177.5252 10 S 5.1113 7.5155 110.8770 57.6025 64.5222 173.4347 11 F 5.2464 8.5781 117.2709 55.4984 42.0300 173.2459 12 L 5.3414 8.8055 121.2933 54.0732 45.3139 174.5511 13 N 5.8159 9.9351 124.0699 51.6898 42.2523 173.6026 14 F 5.5738 8.8864 115.1207 55.4562 42.1337 173.3488 15 V 4.8547 8.7333 120.1052 61.2508 33.4670 175.0964 16 S 4.9559 8.8181 122.5545 57.0396 65.6123 172.9040 17 S 5.2057 8.5136 115.0442 56.4455 65.3815 172.6896 18 K 4.7124 8.5435 125.3899 55.2191 35.7124 177.0135 19 K 3.8009 8.3018 119.4133 57.5174 30.9267 179.0580 20 T 4.1050 8.3448 115.2053 64.5933 67.1108 173.8745 21 H 3.9985 7.7813 125.4070 55.5977 26.6717 177.0091 22 V 4.0223 7.6947 120.4421 62.0460 31.5615 174.5197 23 L 4.9646 8.2176 126.8810 53.8454 43.0914 176.1133 24 E 4.6083 9.0397 121.9998 54.8705 33.6384 174.6065 25 T 4.6317 8.3607 120.7102 62.6369 69.8470 173.9390 26 H 4.9758 8.5661 123.5305 53.8140 32.3741 173.2978 27 R 5.0729 8.3079 115.3582 54.6757 33.4483 173.9453 28 F 5.2989 8.5050 118.5735 56.2845 39.6145 176.1167 29 D 4.6410 9.1345 124.4229 55.8630 41.6733 176.7178 30 V 4.4434 7.9198 118.6690 61.0114 34.2384 174.0951 31 L 5.4086 8.6852 127.1726 53.0353 45.4003 175.6743 32 S 4.6711 9.5800 115.5670 56.1617 67.4915 173.1050 33 G 3.9560 8.0158 104.6749 47.8335 0.0000 170.7816 34 G 4.6259 7.3551 106.0490 46.2462 0.0000 172.5549 35 I 5.2121 8.4281 120.6660 59.1101 40.1797 176.2579 36 S 4.9204 8.9900 122.7241 58.1229 63.8950 175.7473 37 T 3.8277 8.5631 111.3215 64.0939 68.5378 174.9981 38 A 4.2295 7.9544 123.4547 52.3356 19.1468 177.1589 39 G 3.7575 8.5920 104.9356 46.2424 0.0000 173.0543 40 E 4.9167 8.3121 119.3950 54.0498 32.1993 175.5372 41 A 4.7040 9.0143 127.8264 51.1288 20.5626 175.7654 42 Q 4.9678 9.3499 122.1339 54.1640 33.3076 173.5562 43 L 5.0186 8.9504 127.1225 53.2297 45.3590 174.9275 44 V 4.6181 8.9210 126.8282 61.2864 33.8513 174.1140 45 I 4.3312 8.6739 129.8043 59.6649 39.1027 174.6512 46 D 4.7521 8.5589 128.2175 53.2648 40.9032 176.9798 47 L 3.8276 8.6010 127.9863 57.3914 41.8293 179.5293 48 N 4.5275 8.0873 114.9004 55.3190 38.7583 175.7057 49 S 4.6919 8.2624 113.1835 57.7005 63.4214 174.2717 50 V 3.9527 7.5244 121.2771 62.4977 31.4938 175.4385 51 N 4.7488 9.2854 121.7707 52.4596 40.1476 174.0972 52 T 4.3144 9.3781 115.5246 60.9331 69.3030 175.9294 53 G 3.9138 8.5667 110.3253 46.1671 0.0000 174.3401 54 I 4.4972 7.2577 119.9464 58.6380 40.6246 175.4787 55 D 4.3382 8.7124 125.6753 57.3597 40.8478 178.8048 56 V 3.6054 7.7911 118.1785 66.1317 31.3075 177.8410 57 R 3.9227 7.9050 116.5036 59.4636 30.0470 177.6169 58 N 4.6110 8.2766 115.6279 56.3185 38.8228 177.2388 59 G 3.8531 8.2298 106.9811 47.7410 0.0000 176.9314 60 R 4.4132 7.9288 118.5730 56.3572 29.9001 179.0239 *62 R 4.4656 7.9575 119.3933 56.6020 32.1850 177.8460 63 D 4.1151 8.1884 117.3683 56.5477 41.1161 177.6743 64 Y 4.8039 8.0499 114.8116 57.7331 39.3776 176.2443 65 L 4.3165 7.3158 119.9790 56.6200 43.3889 177.2660 66 F 4.4858 7.5503 118.7526 58.4098 40.1815 175.4655 67 E 4.1173 8.6016 118.9060 56.7263 26.1834 175.6049 68 T 4.7770 8.7143 107.0656 63.3605 69.6421 176.4724 69 A 4.0920 7.9634 124.5073 54.6823 18.8040 178.2372 70 T 4.0125 7.7784 111.1702 64.7811 69.6590 174.4636 71 Y 4.7409 7.7581 121.2879 55.9269 38.4409 175.9016 72 S 4.4202 8.3889 120.2532 60.3307 64.6683 174.5267 73 V 4.9475 7.7411 110.7817 59.2164 35.7207 174.7862 74 A 4.8415 8.3667 123.8120 50.4608 21.9182 175.6278 75 T 4.8599 8.4868 117.7973 61.6017 72.2213 173.1455 76 V 4.9534 8.9632 126.3531 61.1828 34.3754 174.2931 77 T 5.1098 8.7808 117.3757 59.9618 72.1653 173.1583 78 V 4.7186 8.6223 124.4323 60.6371 35.0066 172.2336 79 P 4.8819 0.0000 0.0000 62.8821 32.0650 175.8306 80 V 4.3697 8.6886 122.1032 60.6548 35.2200 175.5969 81 D 4.6055 8.5597 125.7298 53.1329 41.1047 176.9096 82 L 4.0699 8.3628 128.1372 57.5694 41.7720 179.1783 83 A 3.9893 8.1173 120.2848 54.9093 18.1529 179.3666 84 A 3.9476 8.0570 118.7118 55.2142 18.8767 179.7742 85 V 3.6371 7.7610 116.2437 66.1444 31.4330 178.0700 86 A 4.2149 8.2164 119.7138 55.0708 18.3060 179.1543 87 G 3.8330 8.0196 101.5796 44.7333 0.0000 173.9885 88 L 4.1892 7.2913 121.7889 54.3961 42.1879 177.1662 89 A 4.2021 9.1082 127.2688 51.4138 19.0671 176.8189 90 V 3.7946 8.1148 120.2192 64.4218 31.9394 176.3960 91 G 4.0560 9.1521 116.5595 45.3818 0.0000 173.5208 92 E 4.1653 8.2068 121.2403 55.8967 30.4905 175.5823 93 D 6.3000 8.0272 124.2343 50.9017 41.9544 174.6319 *95 L 4.3288 8.2030 117.2542 55.2253 43.1356 176.6490 96 V 4.3581 8.5803 122.5587 61.1243 34.4745 173.9364 97 D 5.0972 8.8056 128.2432 53.9190 41.6294 176.2501 98 V 4.4256 8.9355 116.9450 59.7736 35.6867 175.3210 99 S 5.2940 8.6650 120.1984 57.0900 62.4909 172.2427 100 A 4.5962 8.9819 126.6087 51.1933 20.3065 176.2583 101 T 4.6355 8.7175 113.4328 60.8416 70.8953 173.4343 102 L 4.8232 9.1658 128.7060 53.3571 44.5177 174.6321 103 D 5.0565 9.2410 128.2440 52.8407 42.1363 174.5309 104 L 4.7138 7.8498 127.4632 53.8027 45.7574 175.5936 105 H 3.2804 9.6038 124.7382 57.0105 28.2722 174.9689 106 G 3.6819 7.6371 101.8180 45.4605 0.0000 174.6663 107 V 4.2039 7.5434 118.6714 59.7825 32.3470 172.9668 108 P 4.8015 0.0000 0.0000 62.4997 32.0866 175.9994 109 G 4.2347 9.2738 110.0085 45.0093 0.0000 171.1025 110 V 4.8638 8.2930 119.8461 61.2056 33.3837 174.9859 111 I 4.3468 9.1981 129.4941 60.0278 38.7284 174.7218 112 D 5.1605 8.6692 128.4948 53.7590 41.4806 175.6659 113 T 4.6068 8.6499 118.0145 61.2475 71.9822 171.3578 114 Q 5.0892 8.6394 123.1769 54.2355 31.6780 174.1266 115 L 5.0940 8.9792 126.0969 53.1384 45.0906 174.6183 116 N 5.0318 8.9966 121.0841 51.9851 41.2089 173.5945 117 V 4.6773 8.3194 125.4965 61.0896 34.2404 173.6610 118 Q 5.0989 8.4760 128.2591 54.2043 32.6607 173.9275 119 R 4.4019 8.8311 126.6968 55.8004 30.9102 176.7363 120 L 4.5640 8.8010 125.5689 56.0981 42.6558 176.0342 121 S 4.5367 7.5784 110.7913 57.0703 65.4326 174.5335 122 A 3.8960 8.7298 122.7800 54.7480 18.2017 178.2960 123 T 4.5609 7.6808 103.7403 61.0711 70.7171 173.4605 124 R 5.3127 8.1704 123.7128 54.7534 32.9776 174.4194 125 I 4.9158 8.4803 119.6985 58.5737 41.4729 173.4808 *127 V 4.4032 8.2977 120.1258 63.3775 32.8329 175.7217 128 Q 4.9157 8.9859 124.5583 53.6066 32.5218 173.6856 129 N 4.3856 7.2693 118.5598 53.1219 37.2222 174.7921 130 Q 4.1829 8.9406 125.8789 58.0635 29.6775 176.1087 131 S 4.8296 7.7075 110.8843 55.0584 65.9622 171.7697 132 P 4.2862 0.0000 0.0000 63.0344 31.7453 175.5896 133 L 4.8322 8.4121 122.8320 53.2676 45.0776 174.7314 134 L 5.2263 8.7367 125.5135 53.0596 44.5485 175.6230 135 I 4.6039 8.8084 124.0873 59.5761 40.0451 174.6104 136 K 4.9053 8.6504 125.7322 54.8117 33.4680 177.0192 137 A 4.1573 9.3251 128.1522 55.2490 19.1123 179.6466 138 A 4.7096 8.1094 116.9789 54.5608 18.7804 179.1595 139 D 4.3127 7.9767 115.1449 56.7656 40.8495 176.7411 140 Y 4.5968 7.4901 115.2882 57.2209 38.9198 175.2391 141 S 3.9199 7.6508 112.8497 59.9394 61.2594 173.6234 142 L 4.5183 7.9699 117.4408 54.7401 42.1054 177.5955 143 E 4.0375 8.0270 119.3066 59.1227 29.7510 178.7729 144 A 4.0777 8.0548 121.5627 54.8818 18.5070 179.4340 145 G 3.6763 8.1119 103.7698 49.0094 0.0000 175.7234 146 I 3.6970 7.6655 122.2754 64.0331 37.1303 178.2022 147 E 3.9857 8.3088 120.1378 59.4613 29.3182 179.0584 148 T 3.8399 7.9627 115.9402 66.4951 68.4918 176.6557 149 L 3.9542 8.0774 121.0095 57.6316 41.6445 179.4376 150 R 3.8419 8.3353 119.0116 59.6714 29.9680 178.3217 151 N 4.3322 8.1414 116.0995 56.3804 38.3071 177.4502 152 L 3.9987 8.0622 119.3309 57.0429 41.7529 178.4058 153 A 4.4321 7.7832 117.8296 50.7166 19.6114 176.7501 154 S 3.6543 7.5174 112.5072 59.5651 61.2008 172.4949 155 L 4.6351 7.6763 118.1842 53.2135 43.2796 177.3955 156 N 4.5440 8.6590 119.4176 55.6835 38.0216 175.3568 157 V 4.5531 7.3035 116.3755 60.2415 34.7321 173.1068 158 I 5.0283 8.1549 123.4787 59.3357 40.1595 175.3069 159 S 4.4310 8.9099 122.1114 58.7452 62.9437 173.9392 160 T 4.4563 8.6919 114.5737 62.2091 70.2079 173.5837 161 T 4.9872 7.7715 120.0092 62.1989 70.3596 174.3541 162 V 4.5706 9.0932 126.1921 60.3651 34.5440 173.0062 163 P 5.0229 0.0000 0.0000 62.7776 32.6226 175.7348 164 V 5.2002 8.7347 122.5166 61.4847 34.6139 174.4242 165 D 5.2081 9.2299 126.2524 52.7918 45.0867 174.4165 166 F 5.1143 8.5892 115.4261 55.5409 41.9958 173.3757 167 V 4.4014 7.4233 120.1237 61.1481 34.0537 174.0660 168 L 4.8816 8.7828 128.1363 52.7751 44.6515 176.0887 169 F 4.9856 8.8863 120.9468 55.9760 42.0566 173.7150 170 Y 5.2024 9.0970 121.5393 56.2177 40.9543 174.6210 171 E 5.3973 9.6994 122.3549 54.4734 32.9024 175.6403 172 A 4.5076 9.1556 126.3863 50.0217 19.5343 175.6159 173 P 4.0956 0.0000 0.0000 64.2550 31.9155 177.1600 *174 H 4.4982 8.6593 118.2952 54.6256 28.8606 170.3550 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 *0 K 8.17 4.32 0.00 1.70 1.88 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 1 L 7.66 5.11 0.00 1.58 1.63 0.96 0.57 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 2 A 10.06 4.20 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 3 Y 7.90 5.06 0.00 2.85 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 4 S 9.24 5.25 0.00 3.80 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 5 L 8.63 3.87 0.00 1.35 1.54 0.10 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 6 D 9.50 4.52 0.00 2.71 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 7 A 8.40 4.07 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 8 T 7.85 4.07 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 1.22 0.00 0.00 9 A 7.88 4.19 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.52 5.11 0.00 3.94 3.77 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 0.00 0.00 0.00 11 F 8.58 5.25 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.81 5.34 0.00 1.81 1.73 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 13 N 9.94 5.82 0.00 2.80 2.71 0.00 0.00 6.05 7.98 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 14 F 8.89 5.57 0.00 3.28 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 V 8.73 4.85 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 0.85 0.00 0.00 0.93 0.00 0.00 16 S 8.82 4.96 0.00 4.02 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 17 S 8.51 5.21 0.00 3.90 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 18 K 8.54 4.71 0.00 1.86 1.86 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.37 7.81 19 K 8.30 3.80 0.00 1.92 1.67 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.34 7.81 20 T 8.34 4.11 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 1.26 0.00 0.00 21 H 7.78 4.00 0.00 3.30 3.35 0.00 5.74 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.69 4.02 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 0.94 0.00 0.00 0.93 0.00 0.00 23 L 8.22 4.96 0.00 1.54 1.56 0.98 0.91 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 24 E 9.04 4.61 0.00 1.76 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 0.00 2.17 2.23 0.00 25 T 8.36 4.63 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 1.14 0.00 0.00 26 H 8.57 4.98 0.00 1.40 2.72 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.31 5.07 0.00 1.89 2.06 0.00 2.77 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 28 F 8.50 5.30 0.00 3.07 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 29 D 9.13 4.64 0.00 2.65 2.77 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 0.00 0.00 0.00 30 V 7.92 4.44 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 1.03 0.00 0.00 0.97 0.00 0.00 31 L 8.69 5.41 0.00 1.50 1.46 0.97 0.88 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 32 S 9.58 4.67 0.00 3.82 3.90 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 33 G 8.02 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.36 4.63 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 35 I 8.43 5.21 2.01 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.34 0.87 0.00 0.00 36 S 8.99 4.92 0.00 3.90 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 37 T 8.56 3.83 4.24 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 1.22 0.00 0.00 38 A 7.95 4.23 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 39 G 8.59 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 40 E 8.31 4.92 0.00 1.86 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 2.19 2.35 0.00 41 A 9.01 4.70 1.06 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 0.00 0.00 42 Q 9.35 4.97 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 43 L 8.95 5.02 0.00 1.69 1.32 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.92 4.62 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 0.84 0.00 0.00 0.90 0.00 0.00 45 I 8.67 4.33 1.36 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.52 -0.12 0.00 0.00 46 D 8.56 4.75 0.00 2.79 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 47 L 8.60 3.83 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0.00 3.73 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 0.00 100 A 8.98 4.60 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 0.00 101 T 8.72 4.64 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 0.00 102 L 9.17 4.82 0.00 1.67 1.62 0.70 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 103 D 9.24 5.06 0.00 2.77 2.63 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 0.00 104 L 7.85 4.71 0.00 1.41 0.98 0.73 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 105 H 9.60 3.28 0.00 3.23 3.41 0.00 5.89 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 0.00 106 G 7.64 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 0.00 0.00 0.00 107 V 7.54 4.20 2.14 0.00 0.00 0.00 0.00 0.00 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1.22 0.00 0.00 124 R 8.17 5.31 0.00 2.09 1.87 0.00 3.27 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 125 I 8.48 4.92 1.82 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 0.93 1.38 0.92 0.00 0.00 *127 V 8.30 4.40 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 0.96 0.00 0.00 0.89 0.00 0.00 128 Q 8.99 4.92 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 129 N 7.27 4.39 0.00 2.63 2.22 0.00 0.00 6.03 7.39 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 0.00 130 Q 8.94 4.18 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 131 S 7.71 4.83 0.00 3.96 3.77 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 0.00 0.00 0.00 132 P 0.00 4.29 0.00 2.06 2.04 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 133 L 8.41 4.83 0.00 1.73 1.72 0.99 0.80 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 0.00 134 L 8.74 5.23 0.00 1.58 1.59 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.81 4.60 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.99 0.00 0.00 136 K 8.65 4.91 0.00 1.92 1.77 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.48 7.81 137 A 9.33 4.16 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 0.00 138 A 8.11 4.71 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 0.00 139 D 7.98 4.31 0.00 2.79 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 0.00 140 Y 7.49 4.60 0.00 2.94 3.05 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 0.00 141 S 7.65 3.92 0.00 4.11 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 0.00 142 L 7.97 4.52 0.00 1.88 1.62 0.99 0.46 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 0.00 143 E 8.03 4.04 0.00 2.17 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 0.00 2.37 2.32 0.00 144 A 8.05 4.08 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 0.00 145 G 8.11 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 0.00 0.00 0.00 146 I 7.67 3.70 2.00 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 1.39 0.73 0.92 0.00 0.00 147 E 8.31 3.99 0.00 2.09 2.10 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 2.30 2.38 0.00 148 T 7.96 3.84 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 1.02 0.00 0.00 149 L 8.08 3.95 0.00 1.85 1.71 0.87 0.69 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 0.00 150 R 8.34 3.84 0.00 1.93 2.07 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 151 N 8.14 4.33 0.00 2.95 2.81 0.00 0.00 7.11 6.40 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 0.00 152 L 8.06 4.00 0.00 1.72 1.71 0.79 1.00 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 0.00 153 A 7.78 4.43 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 0.00 154 S 7.52 3.65 0.00 3.96 3.92 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 0.00 155 L 7.68 4.64 0.00 1.63 1.58 0.92 0.81 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 0.00 156 N 8.66 4.54 0.00 2.86 3.06 0.00 0.00 5.62 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 0.00 157 V 7.30 4.55 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 0.65 0.00 0.00 0.92 0.00 0.00 158 I 8.15 5.03 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 1.24 0.68 0.93 0.00 0.00 159 S 8.91 4.43 0.00 3.90 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 0.00 160 T 8.69 4.46 4.27 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 1.23 0.00 0.00 161 T 7.77 4.99 4.28 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 1.26 0.00 0.00 162 V 9.09 4.57 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 1.31 0.00 0.00 1.05 0.00 0.00 163 P 0.00 5.02 0.00 2.18 2.00 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 164 V 8.73 5.20 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 1.11 0.00 0.00 1.14 0.00 0.00 165 D 9.23 5.21 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 8.59 5.11 0.00 3.02 3.05 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 0.00 167 V 7.42 4.40 1.30 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 0.64 0.00 0.00 0.77 0.00 0.00 168 L 8.78 4.88 0.00 1.47 1.25 0.87 0.70 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 0.00 169 F 8.89 4.99 0.00 2.87 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 0.00 170 Y 9.10 5.20 0.00 2.76 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 0.00 171 E 9.70 5.40 0.00 1.89 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 2.33 2.43 0.00 172 A 9.16 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.10 0.00 2.00 2.01 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 *174 H 8.66 4.50 0.00 2.88 2.77 0.00 7.23 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 * Residues marked with a * may have inaccurate shift predictions.