NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Y 4.6891 8.1449 118.8978 56.8292 38.7519 174.2626 7 D 4.1439 8.2360 121.2491 55.1419 41.5492 174.4576 8 Y 4.8533 7.5539 117.7379 56.0760 41.9893 174.9279 9 L 3.9538 8.4145 125.7518 53.6335 42.4301 175.6908 10 I 4.2655 8.0286 127.6503 59.2738 38.6123 175.0465 11 K 4.3046 8.4038 127.6815 55.7202 33.2754 175.4033 12 L 5.3139 8.4673 126.2964 52.9020 45.2723 175.6077 13 L 4.6679 8.8411 121.2899 52.8247 44.8931 175.3435 14 A 4.7849 8.5827 124.6302 51.0072 19.8924 176.5396 15 L 4.6179 10.1083 123.0120 52.1433 45.3943 176.5299 16 G 4.4312 8.0735 110.5373 44.2153 0.0000 172.0211 17 D 4.4959 7.7833 119.7626 53.5643 41.4944 176.4574 18 S 4.0196 8.4056 116.9965 60.5194 62.3016 175.8040 19 G 3.9653 8.8479 110.2312 45.8280 0.0000 175.5016 20 V 3.6678 7.3036 119.1367 64.1106 31.8866 176.7025 21 G 4.2146 7.8685 105.3244 45.5225 0.0000 175.4160 22 K 3.8262 8.4731 120.2999 60.0526 32.1400 179.1563 23 T 4.0074 7.9197 115.0123 66.9965 68.4013 176.7892 24 T 4.0602 7.9614 117.3153 66.1372 68.5504 176.4942 25 F 4.0586 8.6792 123.2460 61.5025 39.6236 177.2486 26 L 4.1380 8.2111 118.5497 57.8001 41.2378 178.9822 27 Y 3.8782 8.0234 119.1747 60.5537 38.5444 177.9397 28 R 3.9177 7.8301 118.2509 59.8432 30.2657 177.5460 29 Y 4.0373 7.5922 117.6289 61.1945 38.8333 176.4848 30 T 4.0888 7.7655 115.0832 59.5056 69.0660 171.4353 31 D 3.3700 7.7611 135.0000 54.2828 40.2544 173.3991 32 N 4.2172 8.1408 121.1802 53.0442 40.7503 174.0965 33 K 3.8465 8.1680 127.4941 58.9242 32.6752 175.7071 34 F 5.1998 7.6029 116.2582 55.6711 41.9164 174.5705 35 N 5.1120 8.3905 118.9262 50.6311 40.0809 172.5429 36 P 4.3853 0.0000 0.0000 62.4169 32.3964 175.7406 37 K 4.5184 7.8570 118.7690 54.4903 35.4954 175.6413 38 F 4.8493 8.6866 120.3413 55.6770 41.7885 174.5071 39 I 4.7456 8.1893 123.7794 60.0399 41.0557 173.3702 40 T 4.6012 8.1619 118.1302 61.3102 70.1354 172.5108 41 T 4.4745 8.3335 115.1649 60.2033 70.1310 174.4623 42 V 4.5419 7.7182 118.8082 59.7813 34.8796 174.5702 43 G 4.1477 8.0470 108.5177 46.2336 0.0000 172.0258 44 I 5.4070 8.4824 112.6645 59.2552 40.8459 174.2861 45 D 4.7253 9.0223 121.8461 52.0485 43.2140 173.5818 46 F 5.1176 7.3847 113.2688 55.0537 41.3790 173.3595 47 R 4.8122 8.8911 117.1997 54.7424 34.8037 174.0134 48 E 5.3237 8.5575 117.7393 55.2338 33.9512 175.3319 49 K 4.5621 9.1526 122.5587 55.2502 36.2212 174.8731 50 R 4.9656 8.5988 126.6407 55.2915 31.1807 176.0665 51 V 4.6260 9.0041 122.8806 60.0851 35.6895 174.0764 52 V 4.9364 8.4586 121.1060 61.4053 33.5473 173.7607 53 Y 4.8012 9.1672 129.6809 55.9560 40.9974 174.2182 54 N 4.8117 8.2525 124.2073 51.5846 38.5068 174.7530 55 A 3.8598 7.5679 129.1214 53.9245 18.8811 177.0056 *64 K 3.5968 7.7410 116.3869 55.4586 34.1747 175.6013 65 A 3.8723 7.8884 121.7798 51.9910 15.6492 176.4963 66 F 4.8141 9.2488 121.7397 56.0146 41.5751 176.7420 67 K 4.6420 8.9052 124.1280 55.4961 32.5184 175.3794 68 V 4.3801 8.9787 128.8189 61.2849 34.1296 173.8911 69 H 4.8830 8.8780 128.0057 54.7102 30.6234 173.5161 70 L 4.4274 8.8653 127.7474 53.8561 43.0447 175.7564 71 Q 5.0813 8.8243 125.5436 54.4903 30.8154 174.2280 72 L 4.9766 8.8868 127.3282 53.0233 43.9992 176.1432 73 W 5.3936 8.9964 122.6134 55.5056 32.4180 174.3645 74 D 4.9332 9.0416 119.5256 53.5879 44.4581 174.1492 75 T 5.1688 8.5728 113.5304 60.4048 71.2178 173.5290 76 A 4.6038 9.2064 125.0078 50.7617 23.2790 176.5367 77 G 3.8657 8.8457 106.8521 46.9536 0.0000 176.2231 78 Q 4.1232 8.1824 120.9560 58.9620 28.6381 177.4451 79 E 3.9376 8.1514 120.8591 59.1009 29.8784 178.6528 80 R 3.9578 8.1117 117.6644 59.3908 30.0911 178.6303 81 F 4.4230 8.3140 119.9592 60.9547 39.3036 177.4368 82 R 3.7431 8.1797 118.0386 59.4458 29.9591 178.8871 83 S 4.0870 8.1487 114.7012 61.5905 62.7925 176.4447 84 L 3.8825 7.6279 122.2053 58.8013 41.8054 179.2024 85 T 3.8172 7.6135 115.3138 66.8513 68.1889 176.8423 86 T 3.9484 8.1723 117.6779 66.6015 68.3124 176.5562 87 A 3.9445 8.3099 121.6443 55.0331 18.4364 178.8340 88 F 4.1552 8.2342 118.3968 61.9687 39.6763 177.3231 89 F 4.2950 8.4477 116.7265 58.5182 38.6410 175.6050 90 R 3.8835 7.7366 118.1668 57.9119 29.9241 175.2018 91 D 4.3990 9.0809 122.5548 54.8959 38.5903 173.4894 92 A 4.0761 7.9173 122.6482 52.8457 18.8816 178.1401 93 M 4.3539 8.7504 121.8893 55.8363 34.3315 176.3095 94 G 4.3197 7.7455 104.3961 44.4779 0.0000 171.5347 95 F 5.6105 8.8783 121.1235 55.5362 41.9739 174.8769 96 L 4.1720 9.5482 125.7200 53.8356 42.2207 175.6685 97 L 4.6752 8.9306 128.2346 54.0007 42.9824 174.8766 98 M 5.1428 9.0319 127.5691 53.3724 34.7924 175.3538 99 F 4.9806 8.6172 117.8929 54.8937 42.4467 173.3100 100 D 5.0333 9.8270 120.2268 52.8330 41.6448 177.2284 101 L 4.3326 8.9548 127.4967 57.2418 41.8541 178.6813 102 T 4.5997 7.9127 107.2554 61.0938 68.7839 175.0377 103 S 4.5255 8.3971 117.4433 56.5882 64.8645 174.1401 104 Q 4.0223 9.7726 131.9778 58.7101 28.7101 177.7906 105 Q 3.9939 8.0977 120.8842 59.1974 28.7761 177.8853 106 S 4.1583 8.1670 115.3821 61.7291 62.8203 176.3432 107 F 3.8334 8.1410 123.9482 60.5842 38.9327 177.3261 108 L 3.9500 7.9604 118.6991 57.8173 41.4551 178.8639 109 N 4.2836 8.4103 116.7845 56.4157 38.3878 177.5454 110 V 3.4796 7.3703 118.6125 65.9260 31.4602 177.6337 111 R 3.7075 6.9653 116.6941 59.6369 29.9530 177.2858 112 N 4.4159 8.3368 116.6538 56.6673 38.9533 176.5215 113 W 4.0935 8.4212 129.6803 60.4043 30.5923 176.6956 114 M 4.2234 8.4169 115.7530 56.1409 31.8853 176.7727 115 S 4.8466 7.9288 113.7857 58.6153 64.4550 174.4246 116 Q 4.3497 7.0864 118.1787 55.7470 28.5262 175.3312 117 L 3.8259 7.3661 118.9558 54.5221 42.1498 176.7790 118 Q 3.9983 8.3777 123.1404 55.3082 29.2345 176.1948 119 A 4.1962 8.4375 125.8125 52.4266 19.1203 176.0235 120 N 5.0484 7.9712 116.3284 50.6526 42.7857 174.6489 121 A 4.0414 8.9117 122.3323 53.8442 18.9724 179.3738 122 Y 3.9969 8.1379 123.9803 60.6520 40.1553 178.0348 123 C 4.4450 8.1744 115.5256 59.0714 40.7215 174.2420 124 E 3.9231 8.2739 117.1604 56.6918 29.3318 176.2389 125 N 4.4914 7.6836 118.1678 51.5409 38.0734 172.3186 126 P 4.2738 0.0000 0.0000 62.9476 32.0030 176.2591 127 D 4.5969 8.4606 122.9700 54.2807 42.2863 175.4408 128 I 4.9412 8.1895 121.1251 59.5791 40.9503 174.9601 129 V 4.5833 8.5268 125.4277 61.0307 34.4632 173.9857 130 L 4.9549 8.7978 130.6397 54.6103 43.7729 175.3532 131 I 4.9260 9.2580 126.5436 59.5565 41.1709 174.4781 132 G 3.2090 8.8432 115.2245 44.5810 0.0000 172.7110 133 N 5.0550 8.3487 125.6121 52.2548 41.6121 174.2543 134 K 4.1762 8.4805 117.1018 57.7220 28.7855 177.4565 135 A 4.3128 8.2457 120.4909 53.5090 18.6260 178.4719 136 D 4.7696 7.9364 114.4081 53.0343 40.2877 177.0992 137 L 4.7908 7.4514 119.8076 53.0200 41.7676 175.3409 138 P 4.1777 0.0000 0.0000 65.5661 32.3380 179.0276 139 D 4.3734 8.3003 116.9810 57.7107 40.6648 177.7455 140 Q 4.1947 7.4442 114.1470 56.4117 29.0535 176.5309 141 R 4.1975 7.3270 118.7242 57.2286 30.3634 176.4772 142 E 4.7211 8.4399 123.3483 55.2076 29.7915 175.3533 143 V 4.5000 7.6461 117.7158 60.0531 34.5364 174.4254 144 N 4.3807 8.4337 126.0239 53.5158 39.9966 175.2217 145 E 4.1554 8.7768 126.5522 58.9089 29.5997 178.8741 146 R 4.0708 7.8490 118.8182 58.6556 30.0969 178.2337 147 Q 3.9420 7.8934 119.0288 58.6488 29.0456 177.7649 148 A 4.0094 7.7471 121.8834 55.2668 18.4499 179.5834 149 R 3.8239 7.5623 115.9826 59.6700 30.0899 178.8952 150 E 3.9270 7.7378 117.1316 59.4784 29.3171 179.2476 151 L 4.0592 7.4333 117.2465 58.1386 42.4022 178.2060 152 A 4.1627 8.0765 120.7149 55.5472 18.3495 178.9883 153 D 4.3681 8.7879 116.5691 57.6062 40.9049 179.4437 154 K 4.0312 8.3857 118.4069 58.5012 31.8239 176.6969 155 Y 4.5050 7.9741 114.9851 56.6468 39.5612 175.3727 156 G 4.2397 7.9530 107.8108 46.7956 0.0000 173.9124 157 I 4.6633 7.2427 115.8826 58.7202 41.3556 174.4772 158 P 4.4871 0.0000 0.0000 62.7039 32.4939 174.6046 159 Y 5.8976 8.0661 122.9662 55.1723 41.9554 174.6072 160 F 4.5455 7.8788 121.5965 55.7244 43.9672 173.1157 161 E 5.0193 8.5835 121.9456 55.0926 30.7127 175.4332 162 T 5.0020 9.0885 115.1287 59.7956 72.8521 172.9818 163 S 4.9001 8.8066 117.2426 56.4839 64.2685 174.7167 164 A 3.9764 8.6140 130.8618 55.0991 17.8824 177.9494 165 A 4.0274 7.4853 118.1103 55.4208 19.0698 178.6694 166 T 3.8972 9.4421 113.8576 67.3892 68.9044 176.0005 167 G 3.9260 8.5607 107.3117 45.0229 0.0000 173.1148 168 Q 3.9630 8.0900 121.8124 57.5641 29.1616 177.0206 169 N 4.3515 9.0076 121.5134 54.0566 37.3992 176.2234 170 V 3.5621 7.2029 117.8997 66.1287 31.4367 177.3116 171 E 4.3081 8.1457 117.2880 59.7119 29.4840 179.4321 172 K 3.8018 7.9243 118.5679 59.1369 32.3338 178.3998 173 A 3.1332 8.2474 121.5509 54.9378 18.3236 179.6286 174 V 3.3953 7.4163 116.0974 66.2535 31.4979 178.1187 175 E 3.9671 8.1779 118.1243 59.7144 29.3777 179.3179 176 T 3.9537 7.8835 115.7812 66.7244 68.5044 176.3586 177 L 4.0051 7.9165 121.9449 57.8127 42.0842 178.6135 178 L 3.8960 7.9974 120.4890 58.3373 41.9747 178.2431 179 D 4.3418 8.5173 118.9875 57.6566 40.7544 178.6946 180 L 3.9395 7.7804 118.2998 58.3331 41.7723 179.7800 181 I 3.7578 7.5194 120.4869 64.1140 37.0440 178.4479 182 M 3.9158 7.9139 119.2876 57.8007 31.9969 178.5180 183 K 3.8403 8.0936 119.9083 59.6663 32.1444 178.6908 184 R 3.8587 7.8362 117.4037 59.7540 30.1265 177.9488 185 M 4.1214 8.1053 118.4570 58.4846 31.6679 178.6074 186 E 3.9948 8.0014 117.7847 59.3151 29.7508 178.6944 187 Q 4.3833 7.7256 114.9481 56.9793 29.0716 175.7289 188 C 5.0319 7.5671 115.8696 55.9443 42.1980 174.4270 189 V 3.8065 7.9471 124.9927 62.1149 30.7532 175.9020 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 6 Y 8.14 4.69 0.00 2.96 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 7 D 8.24 4.14 0.00 2.52 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 0.00 0.00 0.00 8 Y 7.55 4.85 0.00 2.88 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 9 L 8.41 3.95 0.00 0.72 1.41 0.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.03 4.27 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.86 0.00 0.00 11 K 8.40 4.30 0.00 1.79 1.76 0.00 1.59 0.00 0.00 1.90 0.00 0.00 2.64 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.38 7.81 12 L 8.47 5.31 0.00 1.49 1.49 0.86 0.92 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 13 L 8.84 4.67 0.00 1.50 1.20 0.51 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.58 4.78 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 15 L 10.11 4.62 0.00 1.16 1.00 -0.02 0.53 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 16 G 8.07 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 0.00 0.00 0.00 0.00 17 D 7.78 4.50 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.41 4.02 0.00 3.84 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 19 G 8.85 3.97 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 0.00 0.00 0.00 20 V 7.30 3.67 2.18 0.00 0.00 0.00 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 1.02 0.00 0.00 21 G 7.87 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 0.00 0.00 0.00 0.00 22 K 8.47 3.83 0.00 1.81 1.89 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 23 T 7.92 4.01 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 1.27 0.00 0.00 24 T 7.96 4.06 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 1.24 0.00 0.00 25 F 8.68 4.06 0.00 3.23 3.25 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 26 L 8.21 4.14 0.00 1.88 1.81 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.02 3.88 0.00 3.26 3.08 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 0.00 0.00 0.00 28 R 7.83 3.92 0.00 1.93 1.99 0.00 3.31 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 29 Y 7.59 4.04 0.00 2.65 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.77 4.09 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 31 D 7.76 3.37 0.00 2.44 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 32 N 8.14 4.22 0.00 2.55 2.55 0.00 0.00 7.14 6.68 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 33 K 8.17 3.85 0.00 1.52 1.55 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.58 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.30 0.51 7.81 34 F 7.60 5.20 0.00 3.06 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 35 N 8.39 5.11 0.00 2.82 2.77 0.00 0.00 6.11 7.75 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 36 P 0.00 4.39 0.00 1.90 2.00 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 37 K 7.86 4.52 0.00 1.59 1.65 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.38 7.81 38 F 8.69 4.85 0.00 3.02 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 39 I 8.19 4.75 1.89 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 1.33 0.85 0.93 0.00 0.00 40 T 8.16 4.60 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 41 T 8.33 4.47 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 42 V 7.72 4.54 1.95 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 0.59 0.00 0.00 0.75 0.00 0.00 43 G 8.05 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 44 I 8.48 5.41 2.21 0.00 0.00 1.18 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 1.06 1.02 0.00 0.00 45 D 9.02 4.73 0.00 2.43 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.38 5.12 0.00 2.22 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 0.00 0.00 0.00 0.00 47 R 8.89 4.81 0.00 1.72 1.81 0.00 3.05 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 48 E 8.56 5.32 0.00 1.81 1.73 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 2.29 2.48 0.00 49 K 9.15 4.56 0.00 1.73 1.58 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 R 8.60 4.97 0.00 1.73 1.87 0.00 3.43 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 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0.00 1.59 1.49 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.38 4.00 0.00 1.95 1.99 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 2.30 2.27 0.00 119 A 8.44 4.20 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 0.00 120 N 7.97 5.05 0.00 2.72 2.66 0.00 0.00 6.89 7.23 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 0.00 121 A 8.91 4.04 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 0.00 122 Y 8.14 4.00 0.00 2.89 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 0.00 123 C 8.17 4.45 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.27 3.92 0.00 1.92 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 2.32 2.38 0.00 125 N 7.68 4.49 0.00 2.75 2.63 0.00 0.00 7.06 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.48 4.18 0.00 2.05 1.93 0.00 1.99 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 135 A 8.25 4.31 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.94 4.77 0.00 2.80 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 0.00 137 L 7.45 4.79 0.00 1.73 1.63 0.94 1.00 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 0.00 138 P 0.00 4.18 0.00 2.19 2.11 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 139 D 8.30 4.37 0.00 2.65 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 0.00 140 Q 7.44 4.19 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 141 R 7.33 4.20 0.00 1.91 1.92 0.00 3.27 0.00 0.00 3.51 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 142 E 8.44 4.72 0.00 2.03 1.95 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 2.29 2.27 0.00 143 V 7.65 4.50 2.28 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 0.81 0.00 0.00 1.14 0.00 0.00 144 N 8.43 4.38 0.00 2.75 2.49 0.00 0.00 6.96 7.65 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 0.00 145 E 8.78 4.16 0.00 2.64 2.28 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 2.42 2.49 0.00 146 R 7.85 4.07 0.00 1.89 2.00 0.00 3.16 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 147 Q 7.89 3.94 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 148 A 7.75 4.01 0.79 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 0.00 149 R 7.56 3.82 0.00 2.04 2.06 0.00 3.37 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 150 E 7.74 3.93 0.00 2.09 2.01 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 2.46 2.49 0.00 151 L 7.43 4.06 0.00 1.72 1.70 1.09 0.73 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 0.00 152 A 8.08 4.16 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.79 4.37 0.00 2.80 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 0.00 154 K 8.39 4.03 0.00 1.66 1.98 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.71 1.10 7.81 155 Y 7.97 4.50 0.00 3.11 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 0.00 156 G 7.95 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 0.00 0.00 0.00 0.00 157 I 7.24 4.66 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.07 1.05 0.00 0.00 158 P 0.00 4.49 0.00 2.20 1.93 0.00 3.76 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 2.23 2.14 0.00 159 Y 8.07 5.90 0.00 2.89 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 0.00 160 F 7.88 4.55 0.00 2.91 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 0.00 161 E 8.58 5.02 0.00 1.82 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 2.08 2.18 0.00 162 T 9.09 5.00 4.50 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 1.28 0.00 0.00 163 S 8.81 4.90 0.00 3.90 3.74 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 0.00 164 A 8.61 3.98 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 0.00 165 A 7.49 4.03 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 0.00 166 T 9.44 3.90 4.33 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 1.21 0.00 0.00 167 G 8.56 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 0.00 168 Q 8.09 3.96 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 5.78 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 169 N 9.01 4.35 0.00 3.10 2.92 0.00 0.00 6.72 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 0.00 170 V 7.20 3.56 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 0.59 0.00 0.00 0.69 0.00 0.00 171 E 8.15 4.31 0.00 2.05 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 2.41 2.34 0.00 172 K 7.92 3.80 0.00 1.68 1.41 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 173 A 8.25 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 174 V 7.42 3.40 1.70 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 0.64 0.00 0.00 0.26 0.00 0.00 175 E 8.18 3.97 0.00 2.14 1.98 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 2.36 2.43 0.00 176 T 7.88 3.95 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 177 L 7.92 4.01 0.00 1.81 1.84 0.94 0.42 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 0.00 178 L 8.00 3.90 0.00 1.79 1.81 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 179 D 8.52 4.34 0.00 2.88 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 0.00 180 L 7.78 3.94 0.00 1.80 2.00 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 181 I 7.52 3.76 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.00 0.80 0.00 0.00 182 M 7.91 3.92 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 183 K 8.09 3.84 0.00 2.03 1.80 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.52 7.81 184 R 7.84 3.86 0.00 1.92 1.92 0.00 3.07 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.00 185 M 8.11 4.12 0.00 1.87 2.12 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 186 E 8.00 3.99 0.00 2.18 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 2.36 2.34 0.00 187 Q 7.73 4.38 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 188 C 7.57 5.03 0.00 2.86 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 0.00 189 V 7.95 3.81 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 0.69 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.