NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.7692 8.4449 117.8720 55.9668 30.0827 173.2933 5 E 4.4010 8.3636 121.8402 54.1534 28.6434 173.3617 6 L 4.2776 8.9225 123.3804 54.4790 43.8847 175.9534 7 D 5.0350 8.6765 123.1512 53.4004 42.6680 175.1019 8 Y 5.3804 8.0424 119.9670 55.7841 42.2419 174.6426 9 R 4.5031 8.8355 119.5292 55.3488 33.3638 173.8273 10 I 4.4199 8.8149 128.5715 61.2482 37.9714 175.4335 11 L 4.5804 9.5807 128.4373 54.2844 43.9936 177.5676 12 G 4.0895 9.0775 107.8293 45.7170 0.0000 171.8017 13 E 4.4163 7.9872 115.6234 56.9374 31.1256 177.6820 14 S 4.6367 7.6872 113.9678 58.4803 63.6451 174.2072 *16 Q 4.3730 7.8209 117.1779 56.4966 29.4918 174.2662 17 T 4.7820 8.4063 114.6536 61.9628 73.2646 173.2933 18 V 4.3882 8.2337 126.1786 60.2082 33.4648 174.6358 19 E 4.5077 8.9339 128.2898 54.9957 30.8168 174.9664 20 I 4.4262 8.6997 129.5636 60.5090 38.7101 174.6413 21 E 4.5595 9.2484 129.6645 55.2835 30.7116 175.3299 22 L 4.7014 9.3013 128.6848 52.9067 43.7541 176.0150 23 D 4.7670 8.6478 124.2152 53.1669 42.3548 174.5266 24 P 4.5064 0.0000 0.0000 63.8920 31.6995 176.7305 25 G 4.0591 9.1859 112.1107 45.0895 0.0000 173.5357 26 E 4.5958 8.2577 119.5019 56.2557 31.5304 175.9098 27 T 5.2554 8.1714 118.3080 61.7960 72.6812 173.0803 28 V 4.9645 9.0815 126.2979 59.8360 34.4480 174.7265 29 I 5.0348 8.4571 116.5715 59.7759 40.3278 174.1873 30 A 4.8156 8.1681 122.3530 50.8732 22.5599 176.0938 31 E 4.2579 8.2990 120.0641 55.8537 31.1009 176.4288 32 A 4.3028 8.4605 127.0253 53.3896 19.0891 178.0834 33 G 3.9253 8.9002 109.3996 45.4707 0.0000 174.5024 34 A 4.6997 7.1557 122.9829 51.6511 16.5219 177.8448 *36 N 4.6031 7.8714 120.5166 52.8852 41.2974 174.4955 37 Y 4.5168 6.3445 113.4777 56.4674 40.9725 173.1964 *39 T 4.3633 8.1963 108.4416 62.7529 71.0041 176.7507 40 G 3.9442 8.4169 112.8989 47.1058 0.0000 176.1852 41 D 4.9634 8.4024 118.7216 51.3552 38.2300 173.5629 42 I 4.2234 7.9800 121.8717 62.2146 38.5988 176.8946 43 R 4.9277 9.3211 124.4353 54.3110 33.9661 174.4325 44 F 5.6823 8.5268 116.3753 54.3474 40.8393 175.6083 45 T 4.1289 8.3608 106.8154 61.4244 69.9782 173.3765 46 A 3.5289 8.9505 122.1794 54.0814 15.1766 177.0224 47 R 3.6307 8.0351 123.8279 57.8378 28.8177 176.4538 *76 T 4.2265 7.6038 111.9081 63.7258 70.5545 173.3321 77 H 5.2687 8.7306 123.0544 54.4393 31.2566 173.9146 78 F 5.3724 9.7081 122.0179 55.9755 41.6634 174.4280 79 T 5.1030 9.1585 114.3527 59.7353 72.0479 173.0089 80 N 4.9600 8.7728 122.9087 53.0347 39.3228 174.9958 81 E 4.5839 8.6790 125.4637 56.2091 30.8302 177.4747 82 G 4.8295 7.9475 108.5679 44.1447 0.0000 172.4959 83 Q 4.4646 8.5673 120.1156 55.3187 31.2655 176.3947 84 G 3.8607 8.6853 107.6227 44.2737 0.0000 172.5048 85 K 4.1800 8.3095 118.1035 56.5677 32.3759 177.1813 86 Q 4.7687 8.8258 123.1400 54.3324 32.9033 174.0658 87 H 5.4294 9.2035 119.0151 54.0279 32.1473 173.4487 88 V 4.3076 8.6496 121.5010 60.8647 34.0638 173.9829 89 A 4.6382 7.5879 129.0895 49.9251 21.8686 175.3342 90 F 5.1432 8.4298 118.0665 55.6640 43.2086 174.0434 91 A 4.8864 9.0836 122.5180 49.8688 23.1467 175.9531 92 A 3.7900 8.2485 122.7525 51.5316 18.9885 176.3888 93 P 4.6621 0.0000 0.0000 62.8735 31.5267 175.3780 94 Y 5.0560 6.7627 114.8197 54.7907 41.2950 172.9643 95 P 4.4632 0.0000 0.0000 62.0054 32.5208 177.0118 96 G 4.0201 7.3893 106.3804 46.1666 0.0000 171.2777 97 S 4.9242 8.0449 116.7538 56.6988 66.8680 173.3848 98 V 4.7744 8.9143 122.6450 61.2189 33.2513 175.0838 99 V 4.4217 9.1356 128.1454 60.8371 34.2576 174.0778 100 A 3.7586 8.4684 129.9274 51.2554 19.6144 176.5804 101 V 4.0120 7.6964 122.5605 60.5372 34.2279 174.2577 102 D 4.6126 8.6025 128.8243 54.2569 40.8815 176.2515 103 L 3.9753 8.6410 126.5121 57.8254 42.4899 179.3895 104 D 4.7044 8.6864 119.6785 57.5108 40.9560 178.1128 105 D 4.4560 8.1016 115.0186 55.8079 40.7985 177.2298 106 V 4.3129 7.1808 115.7778 61.7391 32.9894 175.8604 107 G 3.8113 8.8895 106.7137 46.5962 0.0000 174.2045 108 G 4.1138 10.5213 107.6164 45.4100 0.0000 173.2565 109 R 4.8908 7.5303 117.5694 54.9519 33.3021 173.9315 110 L 4.5721 7.9772 126.8634 53.6392 46.0560 174.1710 111 F 4.9568 8.4696 124.7942 56.4844 40.7535 174.6480 112 C 5.2796 9.0196 117.5893 56.3946 33.4879 173.4634 113 Q 4.5195 9.1062 122.9325 56.3523 29.8161 177.2759 114 K 3.9498 8.5476 124.5924 59.8105 32.3594 179.0226 115 D 4.5757 8.1985 116.2729 56.7337 41.0050 177.5249 116 S 4.5327 7.9662 114.5313 59.6061 63.5089 173.8187 117 F 4.4039 8.1057 123.5809 57.9098 37.8008 173.6343 118 L 4.2450 7.6232 130.9998 55.9680 42.7266 175.6342 119 C 4.6086 6.6015 110.4746 57.3216 33.1209 171.4796 120 A 5.2460 8.9897 119.9908 50.2334 22.9502 175.6454 121 A 4.3712 9.0747 122.8125 51.9646 19.6510 176.7496 122 Y 4.3510 8.3750 124.1155 58.8127 38.6756 175.7789 123 G 3.8316 8.7287 114.9817 46.0115 0.0000 174.4358 124 T 3.9715 7.5655 117.0035 63.9360 69.1918 174.5275 125 R 4.1949 9.5583 126.9562 55.1386 31.2948 175.9604 126 V 4.3360 8.2611 125.7765 61.2004 32.1980 174.8387 127 G 4.2666 8.4987 114.5995 43.9893 0.0000 170.7542 128 I 4.2477 8.3108 120.5336 61.4404 37.4591 175.9935 129 A 4.2956 8.6011 124.2756 53.2615 21.4704 176.4639 *144 F 4.6742 7.9059 116.9052 58.2878 40.0690 174.6438 145 I 4.0981 7.8277 126.6985 59.1369 40.4503 174.3839 146 L 4.4481 7.7892 129.8970 54.2432 43.4464 175.3149 147 Q 5.1711 8.8964 123.5239 54.1151 32.5528 174.0739 148 K 4.6225 9.4000 120.1274 55.0588 35.6735 175.1715 149 L 4.6079 8.3585 122.5611 53.1250 43.8695 174.4553 150 E 4.6196 9.3288 124.4849 53.6515 31.6899 176.8693 151 G 4.0126 7.0484 111.0809 46.1910 0.0000 172.2241 152 D 4.8171 8.4199 120.6007 52.9659 41.3053 175.7827 153 G 4.1488 7.7473 107.7042 44.9564 0.0000 172.3279 154 L 4.5302 8.3432 119.2731 54.3753 42.9873 177.0770 155 V 4.7848 7.9401 115.8487 59.5125 35.5041 174.6375 156 F 4.8942 8.7480 120.7178 55.7779 42.2239 174.7199 157 V 4.7241 8.4938 116.5923 59.6463 35.2140 173.9659 158 H 5.2930 9.0603 122.9924 54.3394 32.1191 173.0833 159 A 4.7264 9.2462 128.4120 49.7239 21.3355 176.1481 160 G 4.5961 9.4051 111.5579 46.2467 0.0000 172.9210 161 G 4.0998 9.0325 115.4720 47.0340 0.0000 176.8710 162 T 4.2661 9.3703 123.9683 62.5375 69.5747 172.2764 163 L 4.6543 8.5981 128.7758 54.8932 42.4487 175.7805 164 I 4.5044 9.7804 128.7622 59.6104 39.7814 174.4473 165 R 4.6409 8.6277 127.6493 54.5272 31.8747 175.2931 166 R 4.6346 9.0334 124.3543 54.4591 34.6286 174.1266 167 Q 5.0136 8.4335 121.2584 54.3583 30.3601 175.3084 168 L 4.1149 8.9760 125.8424 54.4884 43.0055 176.5206 169 N 4.8195 9.2933 122.0571 51.6603 37.6501 175.4528 170 G 4.0581 9.1778 112.6125 45.8859 0.0000 172.0357 171 E 4.2306 8.0303 116.5849 56.7362 30.3596 176.7786 172 T 4.8329 8.1481 116.5780 62.3266 71.3138 174.2951 173 L 4.3776 8.3611 124.9952 54.4318 45.7703 174.2504 174 R 5.1361 8.6064 125.2564 54.9894 32.5128 176.0910 175 V 4.5187 8.6667 114.4753 59.4002 36.7799 174.3746 176 D 4.5613 8.7087 123.8776 54.3824 41.8716 177.0946 177 T 3.5803 8.4868 117.6080 64.6367 68.7640 176.5526 178 G 3.8273 8.0967 109.8182 48.1986 0.0000 173.6043 179 C 4.2986 8.2996 116.5756 60.3147 28.6490 172.9951 180 L 4.3940 7.8956 123.0984 54.9468 41.9062 176.0491 181 V 4.2407 9.1577 126.9875 64.7377 32.5507 175.3101 182 A 5.3283 8.0811 119.8165 51.5160 22.8702 174.2484 183 F 5.7676 8.6070 113.0316 56.0205 41.4495 174.0531 184 T 4.6182 8.9179 111.6885 61.1870 69.7572 174.0295 185 D 4.6242 8.8948 122.2931 56.6464 41.6147 177.1575 186 G 3.9232 9.4627 109.3786 46.4252 0.0000 172.7143 187 I 4.9667 7.7785 118.6330 59.3298 40.6950 175.3286 188 D 4.9426 9.3705 127.3964 53.5760 42.8534 175.1374 189 Y 5.9174 7.8114 117.8806 55.4477 41.4018 173.8701 190 D 4.8387 8.6223 119.7936 51.9563 43.1526 173.7794 191 V 4.9721 8.2791 121.4350 60.7322 33.8126 174.3600 192 Q 4.6388 8.3767 124.3529 54.4350 33.5427 173.0331 193 L 4.1601 8.6238 122.2175 56.3299 42.1332 176.1530 194 A 4.2821 8.0024 124.7211 53.7396 20.2567 177.4042 *207 L 4.1476 7.5378 114.8815 54.5298 43.3461 176.1759 208 L 4.4253 8.4417 123.9981 54.3589 43.2584 175.5217 209 L 4.9467 8.5504 124.4427 53.5268 45.2657 174.9189 210 T 4.8050 9.0505 122.8814 62.2139 71.0252 173.3189 211 T 4.7718 8.5780 123.5277 62.0882 71.0423 173.8635 212 L 5.3907 8.6985 125.4456 52.7643 45.6020 175.7177 213 K 4.6441 8.8692 122.0473 55.3112 36.3670 176.6541 214 G 3.6570 7.6240 108.8498 45.3973 0.0000 171.7235 215 S 5.7140 7.6648 116.9694 56.3993 67.6524 173.1331 216 G 3.9900 8.5437 105.4193 44.3867 0.0000 172.1362 217 T 4.9559 8.7997 116.7798 61.6605 71.8162 173.7222 218 V 4.9597 9.0706 126.2644 60.8864 34.7706 173.9728 219 W 5.1781 9.8424 128.2178 55.1228 30.9470 175.0916 220 L 5.5357 10.1658 125.0696 52.8587 44.9686 175.4164 221 Q 5.6842 9.1044 118.8204 53.6465 30.6671 175.8422 222 S 4.3200 8.9721 115.9875 60.2465 64.4228 174.1271 223 L 4.7343 8.2424 122.7043 52.2247 42.8805 173.3397 224 P 4.7016 0.0000 0.0000 61.5744 32.5711 177.1797 225 F 3.6892 8.5231 123.7819 61.6559 39.0101 177.8948 226 S 4.0103 7.9848 113.0427 61.0695 62.8246 176.4364 227 R 3.7897 7.7043 122.2107 59.0526 29.7966 177.8116 228 L 3.7906 7.7900 119.4018 58.2892 41.9790 178.5304 229 A 3.8356 7.7991 120.8138 55.1030 18.1998 179.8736 230 G 3.5097 7.7178 103.5843 48.1123 0.0000 176.2232 231 R 4.0182 8.0370 120.6020 58.5635 29.8230 179.1253 232 I 3.6834 7.8208 119.5363 64.5198 37.3549 177.2055 233 Y 4.1943 8.1252 120.2142 61.1587 38.4783 177.8298 234 D 4.3851 8.4997 119.3252 57.7123 40.7620 179.0858 235 A 4.0891 7.9859 120.1385 54.6373 18.6540 178.6299 236 T 4.2985 7.7035 107.7223 61.8376 68.9249 176.3586 237 F 3.8420 7.7772 125.7133 61.7880 39.1322 176.9073 238 R 3.7932 8.1464 115.8620 59.6586 29.9875 177.8268 239 A 4.0693 7.8300 118.6397 54.8946 18.7488 179.1091 240 R 4.0585 7.7441 114.1794 58.5328 29.5455 177.9250 241 E 3.9735 7.6143 117.5236 55.8568 29.3582 176.1807 242 E 4.0450 7.6324 122.4270 56.5573 30.2074 174.2385 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 4 H 8.44 4.77 0.00 3.20 3.41 0.00 5.83 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 5 E 8.36 4.40 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 6 L 8.92 4.28 0.00 1.84 1.76 1.05 1.21 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 7 D 8.68 5.04 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.04 5.38 0.00 2.79 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 9 R 8.84 4.50 0.00 1.92 1.82 0.00 3.10 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 10 I 8.81 4.42 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.06 0.95 0.00 0.00 11 L 9.58 4.58 0.00 1.62 1.57 0.98 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.08 4.09 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 0.00 0.00 0.00 13 E 7.99 4.42 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 14 S 7.69 4.64 0.00 3.86 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 *16 Q 7.82 4.37 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 17 T 8.41 4.78 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 1.12 0.00 0.00 18 V 8.23 4.39 1.78 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 0.43 0.00 0.00 0.16 0.00 0.00 19 E 8.93 4.51 0.00 2.03 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 2.30 2.25 0.00 20 I 8.70 4.43 2.01 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.97 0.00 0.00 21 E 9.25 4.56 0.00 1.97 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 2.22 2.04 0.00 22 L 9.30 4.70 0.00 1.57 1.60 1.08 0.95 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 23 D 8.65 4.77 0.00 2.85 2.60 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 0.00 0.00 0.00 0.00 24 P 0.00 4.51 0.00 2.05 2.25 0.00 3.71 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 25 G 9.19 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 0.00 0.00 0.00 26 E 8.26 4.60 0.00 2.02 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 2.40 2.51 0.00 27 T 8.17 5.26 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 0.94 0.00 0.00 28 V 9.08 4.96 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 1.07 0.00 0.00 0.90 0.00 0.00 29 I 8.46 5.03 1.90 0.00 0.00 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 1.46 1.36 0.67 0.00 0.00 30 A 8.17 4.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.30 4.26 0.00 2.21 1.87 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 2.33 2.34 0.00 32 A 8.46 4.30 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 33 G 8.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.16 4.70 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 *36 N 7.87 4.60 0.00 2.42 2.93 0.00 0.00 7.03 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 6.34 4.52 0.00 2.77 2.99 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 *39 T 8.20 4.36 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 1.33 0.00 0.00 40 G 8.42 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 0.00 0.00 0.00 41 D 8.40 4.96 0.00 2.69 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 42 I 7.98 4.22 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.86 1.20 0.00 0.00 43 R 9.32 4.93 0.00 1.70 1.66 0.00 3.12 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 44 F 8.53 5.68 0.00 2.06 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 0.00 0.00 0.00 0.00 45 T 8.36 4.13 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 1.02 0.00 0.00 46 A 8.95 3.53 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 47 R 8.04 3.63 0.00 1.96 1.99 0.00 3.41 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 *76 T 7.60 4.23 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 0.98 0.00 0.00 77 H 8.73 5.27 0.00 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0.00 1.86 1.98 0.00 94 Y 6.76 5.06 0.00 3.34 3.22 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 95 P 0.00 4.46 0.00 2.32 2.29 0.00 4.11 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 96 G 7.39 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.04 4.92 0.00 3.72 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 98 V 8.91 4.77 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 0.72 0.00 0.00 0.94 0.00 0.00 99 V 9.14 4.42 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 0.31 0.00 0.00 1.03 0.00 0.00 100 A 8.47 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.70 4.01 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.14 0.00 0.00 102 D 8.60 4.61 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.64 3.98 0.00 1.79 1.77 0.81 0.70 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 0.00 104 D 8.69 4.70 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.46 0.00 2.67 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 0.00 106 V 7.18 4.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.09 0.00 0.00 107 G 8.89 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 0.00 108 G 10.52 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 0.00 109 R 7.53 4.89 0.00 1.71 1.70 0.00 3.28 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.15 0.00 110 L 7.98 4.57 0.00 1.63 1.26 0.96 0.76 0.00 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0.00 1.44 1.51 1.03 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 150 E 9.33 4.62 0.00 1.77 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 2.09 2.28 0.00 151 G 7.05 4.01 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 0.00 0.00 0.00 152 D 8.42 4.82 0.00 2.72 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 0.00 153 G 7.75 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 0.00 0.00 0.00 154 L 8.34 4.53 0.00 1.67 1.23 1.21 0.66 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 0.00 155 V 7.94 4.78 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 0.85 0.00 0.00 0.74 0.00 0.00 156 F 8.75 4.89 0.00 2.70 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 0.00 157 V 8.49 4.72 1.97 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 166 R 9.03 4.63 0.00 1.58 1.67 0.00 3.26 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 167 Q 8.43 5.01 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 168 L 8.98 4.11 0.00 1.55 1.70 0.87 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 169 N 9.29 4.82 0.00 2.57 2.70 0.00 0.00 6.59 7.47 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 0.00 170 G 9.18 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 0.00 0.00 0.00 171 E 8.03 4.23 0.00 1.96 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 2.28 2.27 0.00 172 T 8.15 4.83 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 1.18 0.00 0.00 173 L 8.36 4.38 0.00 1.73 1.42 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.61 5.14 0.00 1.69 1.78 0.00 3.20 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 175 V 8.67 4.52 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 0.62 0.00 0.00 0.86 0.00 0.00 176 D 8.71 4.56 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 T 8.49 3.58 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 1.09 0.00 0.00 178 G 8.10 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 0.00 179 C 8.30 4.30 0.00 3.11 3.07 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 0.00 0.00 0.00 180 L 7.90 4.39 0.00 1.71 1.66 0.79 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 181 V 9.16 4.24 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 1.06 0.00 0.00 1.05 0.00 0.00 182 A 8.08 5.33 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 0.00 183 F 8.61 5.77 0.00 3.35 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 T 8.92 4.62 4.39 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 1.42 0.00 0.00 185 D 8.89 4.62 0.00 2.81 2.81 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 0.00 186 G 9.46 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 0.00 0.00 0.00 187 I 7.78 4.97 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.71 0.00 0.00 188 D 9.37 4.94 0.00 2.68 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 0.00 189 Y 7.81 5.92 0.00 2.76 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 0.00 190 D 8.62 4.84 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 0.00 191 V 8.28 4.97 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 1.16 0.00 0.00 1.03 0.00 0.00 192 Q 8.38 4.64 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 193 L 8.62 4.16 0.00 1.64 1.59 0.92 0.97 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 0.00 194 A 8.00 4.28 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 *207 L 7.54 4.15 0.00 1.63 1.65 0.91 0.62 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 0.00 208 L 8.44 4.43 0.00 1.58 1.54 0.97 0.52 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 0.00 209 L 8.55 4.95 0.00 1.74 1.44 0.91 0.60 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 0.00 210 T 9.05 4.81 4.07 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 0.00 0.00 1.08 0.00 0.00 211 T 8.58 4.77 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 1.18 0.00 0.00 212 L 8.70 5.39 0.00 1.54 1.37 0.79 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.87 4.64 0.00 1.82 1.81 0.00 1.20 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.40 7.81 214 G 7.62 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 0.00 215 S 7.66 5.71 0.00 3.84 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 0.00 216 G 8.54 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 0.00 217 T 8.80 4.96 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 0.51 0.00 0.00 218 V 9.07 4.96 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 1.00 0.00 0.00 0.91 0.00 0.00 219 W 9.84 5.18 0.00 3.30 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 0.00 220 L 10.17 5.54 0.00 1.69 1.57 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 221 Q 9.10 5.68 0.00 2.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.54 2.19 0.00 222 S 8.97 4.32 0.00 3.92 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 0.00 223 L 8.24 4.73 0.00 1.80 1.60 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 224 P 0.00 4.70 0.00 2.21 2.14 0.00 3.68 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 2.12 2.17 0.00 225 F 8.52 3.69 0.00 1.51 2.61 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 0.00 0.00 0.00 226 S 7.98 4.01 0.00 4.07 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 0.00 227 R 7.70 3.79 0.00 1.91 2.02 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 228 L 7.79 3.79 0.00 1.63 1.55 0.97 1.15 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 0.00 229 A 7.80 3.84 0.76 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 0.00 230 G 7.72 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 R 8.04 4.02 0.00 1.84 1.98 0.00 3.30 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 232 I 7.82 3.68 2.00 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 1.58 0.73 0.94 0.00 0.00 233 Y 8.13 4.19 0.00 3.06 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 0.00 234 D 8.50 4.39 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 A 7.99 4.09 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 0.00 236 T 7.70 4.30 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 237 F 7.78 3.84 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 R 8.15 3.79 0.00 1.94 1.98 0.00 3.30 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 239 A 7.83 4.07 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 0.00 240 R 7.74 4.06 0.00 1.97 2.05 0.00 2.62 0.00 0.00 2.68 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.32 0.00 241 E 7.61 3.97 0.00 1.16 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.77 0.00 242 E 7.63 4.04 0.00 2.08 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 2.20 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.