NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7875 8.2127 109.7368 45.5582 0.0000 175.2972 *2 R 4.1382 9.2822 122.6357 56.7961 32.4953 176.9294 3 K 4.3593 7.5516 123.3676 59.1847 31.5542 180.8471 4 G 3.7765 8.3529 107.0256 47.7087 0.0000 175.5357 5 Q 3.9573 8.0392 121.6352 59.0033 28.5738 178.2480 6 E 4.2236 8.1239 120.8817 59.1243 29.5018 179.3542 7 T 3.8566 8.0476 115.9383 66.5910 68.4047 176.6784 8 R 3.9475 7.8672 119.8264 59.4248 30.1635 178.6235 9 E 3.9635 8.0496 118.1274 59.7788 29.5440 179.8715 10 R 3.9379 7.9751 117.6154 59.1487 30.1303 179.3489 11 V 3.4746 7.8839 117.9555 66.0003 31.5459 178.1137 12 V 3.4073 8.0408 118.0195 65.9007 31.1685 177.8179 13 A 2.6269 7.5295 120.2462 54.8947 18.2766 179.7145 14 Q 3.8029 7.9316 116.3329 58.7792 28.6868 178.6980 15 A 3.4507 8.2182 122.0280 54.8651 18.3978 179.3458 16 A 4.1291 8.0281 119.1211 55.5134 18.2694 179.7812 17 A 3.9594 7.6962 119.2154 55.2054 18.4262 179.9376 18 L 3.7688 7.5937 117.2182 57.9944 41.7130 179.7983 19 F 4.5057 8.0862 119.4361 59.9340 38.6387 177.2523 20 N 4.3586 8.3654 116.7973 55.9392 38.4143 176.8993 21 V 3.7481 7.1258 118.4374 65.1104 31.9014 177.3894 22 S 4.6407 8.1936 112.4645 57.0544 63.0165 175.1071 23 G 3.8432 7.9649 109.6196 45.0588 0.0000 174.6779 24 Y 3.8091 9.4761 115.7554 60.9942 37.8798 178.8658 25 A 4.0515 8.4215 121.3539 54.8340 18.5179 178.5102 26 G 3.8626 8.0024 101.4281 45.6195 0.0000 173.3528 27 T 4.3455 7.6020 117.3625 61.7117 69.3582 174.3293 28 A 4.5130 8.6261 130.1395 50.8039 20.1231 177.8961 29 I 3.7411 8.3985 120.2430 63.9717 38.2815 178.5441 30 S 4.2729 8.0521 113.8979 61.1570 63.3498 175.3372 31 D 4.4323 8.2427 121.3780 57.4383 40.9061 179.7740 32 I 3.4549 7.1978 116.6915 61.5086 36.1669 177.9600 *34 A 4.1696 8.2343 124.8103 52.2473 20.1149 179.9187 35 A 3.7297 7.9358 117.4670 54.5282 18.5429 178.3881 36 T 4.1674 7.7000 104.2079 61.0517 69.7587 175.7084 37 G 3.8681 7.5469 109.5048 46.1931 0.0000 173.1855 38 L 4.7387 7.3029 117.8756 52.3237 44.3039 176.5092 39 E 4.2714 8.2835 120.2419 55.5725 30.7382 177.9066 40 K 3.8427 8.8738 121.3999 60.0406 32.0933 179.2318 41 G 3.8479 8.2197 105.1747 47.5255 0.0000 175.7488 42 G 3.6571 7.7656 107.4818 47.5946 0.0000 175.8381 43 I 3.9729 7.5269 121.5877 64.3758 37.1412 177.2794 44 Y 5.6118 7.5310 115.2163 58.2933 38.0102 177.2143 45 R 4.0018 7.8111 120.2672 59.2590 30.2628 177.2346 46 H 4.4060 7.9155 114.1348 55.3210 29.9156 175.3226 47 F 5.1093 7.4673 118.4805 55.5474 42.4671 175.6467 48 E 4.1780 9.5673 124.3591 58.9294 29.8128 177.2936 49 S 4.2894 7.7075 111.9777 56.0320 66.7613 175.4600 50 K 4.2051 8.5442 122.5583 59.6844 31.8497 178.5151 51 E 3.9136 8.1471 118.4625 59.4983 29.4536 178.9284 52 Q 4.0431 8.1880 119.6020 58.9822 29.1407 177.9241 53 L 3.4545 8.1504 121.2385 57.9448 42.0298 178.6333 54 A 4.0663 8.5746 121.0363 55.3638 18.2472 179.6270 55 L 3.9361 8.0358 117.0695 57.9325 41.6921 179.6819 56 A 4.1370 8.4395 120.6870 55.0902 18.3499 179.5027 57 A 4.0738 8.7668 119.7529 55.2460 18.3974 179.7147 58 F 4.0831 8.7581 119.3485 61.7149 39.5422 176.9512 59 D 4.2234 8.5320 118.5746 57.7214 40.5854 178.5699 60 Y 4.0168 8.2319 119.7049 60.5722 38.9027 177.5583 61 A 3.7500 8.0613 121.5278 54.9567 18.4686 179.4074 62 A 3.6739 8.1389 119.9547 55.2657 18.4432 179.4958 63 E 3.8511 8.1552 117.8616 59.0592 29.6792 178.9814 64 K 3.7182 7.7379 119.6895 59.3950 32.2771 178.6899 65 V 3.6120 7.6699 118.5351 66.2015 31.2925 177.8240 66 R 4.1175 8.1518 118.0661 59.6801 29.9433 178.2127 67 E 3.9643 8.2954 118.2803 59.4589 29.4639 179.4100 68 R 3.7847 7.9117 118.4934 59.5016 30.1497 178.6477 69 F 3.9361 8.3619 117.3935 60.2191 38.6461 177.3949 70 A 4.0944 8.1793 119.8955 55.3230 18.2569 179.6507 71 V 3.7940 7.9343 116.7448 66.1050 31.4530 178.4249 72 G 3.6407 7.8925 104.2544 47.3951 0.0000 174.7013 73 L 4.5606 7.9681 118.3040 54.0094 42.5933 176.9167 74 A 4.0718 7.1988 123.1367 53.2715 18.7851 177.7635 75 G 3.9135 8.9926 110.3856 45.7635 0.0000 173.2837 76 H 4.5222 7.9085 115.8953 55.2178 29.4100 175.4408 77 K 4.4350 8.5130 119.7758 57.4542 33.6110 176.4749 78 H 4.8852 7.7127 119.1024 53.9050 33.7993 173.6839 79 T 3.9414 8.8795 118.4039 64.8206 68.5026 177.1986 80 V 3.6650 7.9715 120.8394 65.8465 31.6711 177.4158 81 D 4.3574 8.1830 118.2316 57.8316 40.8281 178.8663 82 T 3.8285 7.9290 116.0766 66.6435 68.1349 176.9019 83 I 3.7828 7.8094 121.7620 64.4830 37.0998 178.6288 84 I 3.7541 8.2481 120.8201 64.1461 36.8625 178.3565 85 A 4.0882 8.1100 121.8721 54.7785 17.5963 179.3874 86 F 4.1763 8.1961 119.1611 61.5598 39.3952 177.2814 87 L 4.2402 8.0013 118.3662 58.0739 41.4568 179.0684 88 D 4.2514 8.5294 118.0214 57.0296 40.8617 178.3414 89 V 3.2214 7.4751 118.1391 65.9430 31.6942 177.6560 90 F 2.9916 7.1957 116.3820 60.1875 38.7040 177.5090 91 R 3.8947 8.2385 118.7663 59.4960 29.6806 178.4894 92 S 4.2414 8.0898 113.2563 60.8296 62.7571 175.7566 93 Y 4.5157 7.9222 121.1362 59.9303 37.5324 177.0085 94 A 4.1972 7.7582 122.7802 54.8122 18.4765 178.1580 95 E 4.5532 8.0582 111.5665 56.6858 31.2318 176.7743 96 R 4.4923 7.5821 119.2998 53.8442 30.7530 172.3176 97 P 3.9828 0.0000 0.0000 60.8673 32.4395 175.6127 98 P 4.1013 0.0000 0.0000 65.0162 31.3073 176.3339 99 L 4.6382 7.1997 113.6346 53.3635 43.6784 175.3164 100 V 3.4725 8.1808 118.3699 63.7593 31.1109 176.4600 101 G 3.8732 8.5682 111.9019 44.8345 0.0000 172.6723 102 G 3.7444 7.6647 105.4198 43.9665 0.0000 171.8811 103 C 4.4652 8.7635 119.8407 58.6125 32.5695 173.5224 104 P 4.8723 0.0000 0.0000 64.7728 31.1098 178.7025 105 I 3.9821 7.9279 120.0107 64.3811 37.3918 177.5250 106 L 4.0984 8.2489 120.5726 58.5307 41.6055 178.5870 107 N 4.4495 8.6221 116.5441 56.8609 38.4589 177.6583 108 T 4.2187 8.5299 116.8854 66.1445 68.5271 176.8249 109 A 3.9822 8.3488 123.1513 55.4000 18.2615 179.7048 110 I 3.7018 7.4694 116.4516 64.4357 37.2131 178.1378 111 E 4.1276 7.8077 118.9953 59.2871 29.9278 178.6048 112 S 4.3271 8.7372 115.8343 59.7903 63.1007 175.7431 113 D 4.3416 7.9012 121.9696 55.9082 38.9526 177.1665 114 D 4.9862 8.0491 116.0445 53.7055 41.4299 176.3083 115 T 4.3715 7.6622 110.2850 62.0363 70.9009 172.4667 116 N 4.6947 8.2376 120.0990 50.8391 39.9118 172.3297 117 P 4.1477 0.0000 0.0000 63.3318 32.1916 178.4320 *119 L 3.8200 8.0324 120.3030 54.6934 43.6403 179.0778 120 R 3.7197 8.0877 118.5180 59.5070 29.8319 178.1962 121 E 3.9258 8.1764 118.9555 59.2240 29.6860 179.0394 122 R 3.8673 7.5556 117.7477 59.0097 30.1881 178.9764 123 V 3.5715 7.6672 118.4190 66.0061 31.5278 177.9554 124 R 3.8180 8.3095 118.6176 59.4125 29.8688 178.1973 125 A 3.9672 8.1044 120.5521 55.0920 18.3384 179.8346 126 V 3.2433 7.6195 116.3930 66.1054 31.5641 178.2628 127 I 3.3650 7.3907 119.4383 64.5234 36.8631 178.2210 128 D 4.3598 8.4760 119.9925 56.9903 40.4521 178.5367 129 E 3.9053 8.0051 120.1086 59.0253 29.6923 178.7392 130 W 4.4527 7.9647 119.0015 60.0272 29.0840 178.6605 131 R 3.9326 8.3258 117.9272 59.2866 29.4693 178.7203 132 E 3.9238 8.4382 119.1648 59.4768 29.6033 178.8242 133 T 3.8697 8.2331 116.0652 66.9335 68.5091 176.6400 134 I 3.5906 7.7134 121.4357 64.3127 36.9970 178.7321 135 R 3.8883 8.2862 119.3155 59.5655 29.8173 179.2652 136 T 3.8577 8.1253 115.6154 66.6099 68.3611 176.7677 137 L 3.9635 7.8922 120.9448 57.6409 41.5445 179.7670 138 V 3.5255 7.9945 118.4222 66.1109 31.4842 177.9312 139 Q 3.9287 8.2940 119.4679 59.3248 28.8430 178.2248 140 T 3.9385 8.2172 117.1789 66.6572 68.4623 176.8098 141 G 3.6680 8.3058 109.2408 47.1684 0.0000 175.8623 142 I 3.9969 8.2779 123.4072 63.7432 36.9537 178.3302 143 A 4.0325 7.9391 120.2762 54.9293 18.2628 179.0022 144 R 4.2732 7.8157 113.8913 55.8292 29.6307 177.4142 145 G 3.9096 7.8453 107.5797 46.2119 0.0000 175.0656 146 E 4.7264 8.3640 121.2001 56.3501 31.0418 176.2844 147 I 5.0084 7.3674 119.5127 58.8620 41.4050 175.2833 148 R 4.0025 8.7682 125.6850 55.9995 30.3415 176.4178 149 P 4.3025 0.0000 0.0000 65.2867 31.5227 177.1953 150 E 4.1560 7.9963 115.5798 57.1189 29.8395 176.9524 151 V 3.5197 7.5018 120.3941 62.7082 32.0135 175.3388 152 D 4.5774 8.6638 126.6761 53.0588 41.6589 176.3883 153 A 3.9503 8.4541 129.7792 55.4931 18.5402 178.5491 154 D 4.2656 8.1047 115.9745 57.2335 41.2824 178.4119 155 R 3.8988 8.3901 118.8555 59.1256 30.0479 178.6748 156 L 3.9666 8.0375 119.8030 58.0319 41.9975 178.8224 157 A 3.8959 8.1355 120.7153 55.3334 18.3966 179.7118 158 L 3.9773 8.1894 117.6876 57.5555 41.5528 179.5119 159 L 3.9241 8.1401 120.5163 58.1719 41.8525 178.9369 160 I 3.6873 7.8126 118.6099 64.6217 37.1798 178.1548 161 I 3.7862 7.8277 118.9115 64.2020 37.1817 178.0785 162 A 4.2087 8.0816 121.4763 55.5266 18.2908 179.9449 163 T 3.9734 7.9043 110.2154 65.2229 68.3030 175.8441 *165 E 4.2745 8.1333 122.7522 56.3723 31.5206 178.3153 166 G 3.7261 8.2710 106.6118 48.5186 0.0000 174.6724 167 A 4.0846 8.2322 123.2186 54.9843 18.8439 180.0433 168 V 3.7090 7.4366 111.0865 64.0308 31.4577 177.2377 *170 L 4.2136 8.0574 121.5924 54.6094 43.9102 178.6698 171 A 4.3513 8.3672 121.1463 54.7751 18.6348 179.8873 172 R 3.9737 7.9117 113.9268 59.3471 30.3632 178.1667 173 I 3.8769 7.7347 116.5295 63.7631 38.1404 176.5703 174 L 4.1669 8.2456 118.6710 54.9714 41.9108 176.2818 175 E 3.8092 7.9492 116.8921 56.8135 27.2966 174.2771 176 T 4.5740 7.3619 110.1708 59.6536 70.7555 173.7657 177 A 4.1681 8.5857 128.7213 54.2742 18.3869 179.8940 178 T 3.7096 7.7944 115.1674 66.3756 68.5655 174.6139 179 P 4.2831 0.0000 0.0000 65.5406 31.2728 178.6996 180 L 4.0788 7.8562 117.4532 57.6694 41.6142 179.1861 181 E 3.9859 8.2177 118.6393 59.6862 29.3513 179.1120 182 H 4.3122 8.5253 116.3378 58.7829 28.7951 177.6662 183 A 3.9948 8.1160 122.4734 55.3453 18.2513 178.6792 184 Y 4.0171 8.2423 118.1518 61.4534 38.8155 178.6877 185 T 3.8734 8.2961 116.2768 66.8079 68.5032 175.9695 186 H 4.1147 8.5870 120.4279 59.5116 29.8846 177.3415 187 L 3.9818 8.0794 120.4116 57.6180 41.3570 179.2917 188 A 3.8326 8.0899 121.1880 55.3642 18.1404 179.9322 189 T 3.7678 7.9530 114.2051 66.7793 68.4954 176.3770 190 Y 4.1010 8.1447 121.6881 60.8427 38.7648 178.3099 191 I 3.2987 8.0535 120.9799 64.6546 36.9844 178.6618 192 T 3.7903 7.8244 115.5533 66.4926 68.2749 176.3758 193 Q 4.1651 8.0521 119.2219 57.7813 29.1053 177.3393 194 Q 4.4371 8.0698 116.4378 55.4634 30.8445 176.5830 195 V 3.8878 7.1127 118.7378 64.1121 32.8023 175.6250 196 R 4.2915 7.8293 119.9132 56.7259 29.9249 175.5861 197 L 4.5166 8.9843 128.2729 56.3736 43.5894 175.9464 198 A 4.2698 7.4691 122.0043 52.3165 19.5327 175.7901 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 G 8.21 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 R 9.28 4.14 0.00 1.92 1.97 0.00 3.24 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 3 K 7.55 4.36 0.00 1.80 1.81 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 0.94 7.81 4 G 8.35 3.78 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 0.00 0.00 0.00 5 Q 8.04 3.96 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 6 E 8.12 4.22 0.00 2.21 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 2.33 2.29 0.00 7 T 8.05 3.86 4.16 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 1.15 0.00 0.00 8 R 7.87 3.95 0.00 1.98 2.01 0.00 2.89 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.39 0.00 9 E 8.05 3.96 0.00 2.21 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 2.39 2.51 0.00 10 R 7.98 3.94 0.00 2.01 1.93 0.00 3.10 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 11 V 7.88 3.47 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 12 V 8.04 3.41 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 0.97 0.00 0.00 1.14 0.00 0.00 13 A 7.53 2.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.93 3.80 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 15 A 8.22 3.45 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 16 A 8.03 4.13 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 0.00 0.00 0.00 0.00 0.00 17 A 7.70 3.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 3.77 0.00 1.45 1.49 0.74 0.84 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 19 F 8.09 4.51 0.00 2.90 1.94 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 20 N 8.37 4.36 0.00 3.06 3.05 0.00 0.00 6.72 7.03 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 21 V 7.13 3.75 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.91 0.00 0.00 22 S 8.19 4.64 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.96 3.84 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 0.00 0.00 0.00 24 Y 9.48 3.81 0.00 2.99 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 25 A 8.42 4.05 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 26 G 8.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.60 4.35 4.57 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 0.94 0.00 0.00 28 A 8.63 4.51 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 29 I 8.40 3.74 2.01 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.16 1.00 0.00 0.00 30 S 8.05 4.27 0.00 4.01 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 31 D 8.24 4.43 0.00 2.79 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 32 I 7.20 3.45 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.88 0.72 0.00 0.00 *34 A 8.23 4.17 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 35 A 7.94 3.73 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 36 T 7.70 4.17 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 1.17 0.00 0.00 37 G 7.55 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.30 4.74 0.00 1.55 1.54 0.92 1.32 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 39 E 8.28 4.27 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.58 0.00 0.00 0.63 0.00 0.00 90 F 7.20 2.99 0.00 3.09 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 91 R 8.24 3.89 0.00 1.81 1.89 0.00 3.18 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 92 S 8.09 4.24 0.00 4.05 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 0.00 93 Y 7.92 4.52 0.00 3.01 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 94 A 7.76 4.20 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 95 E 8.06 4.55 0.00 2.19 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 2.22 1.83 0.00 96 R 7.58 4.49 0.00 1.71 1.73 0.00 3.05 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 97 P 0.00 3.98 0.00 2.31 1.93 0.00 3.77 0.00 0.00 3.62 0.00 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8.05 4.99 0.00 2.64 2.66 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 0.00 115 T 7.66 4.37 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 1.22 0.00 0.00 116 N 8.24 4.69 0.00 2.55 2.50 0.00 0.00 7.11 7.29 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 0.00 117 P 0.00 4.15 0.00 2.15 2.02 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 *119 L 8.03 3.82 0.00 1.46 1.29 -0.07 0.30 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 0.00 120 R 8.09 3.72 0.00 1.81 1.99 0.00 3.06 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 121 E 8.18 3.93 0.00 2.11 1.84 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 2.26 2.30 0.00 122 R 7.56 3.87 0.00 1.59 1.66 0.00 3.08 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 123 V 7.67 3.57 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 1.04 0.00 0.00 0.69 0.00 0.00 124 R 8.31 3.82 0.00 1.87 2.06 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 125 A 8.10 3.97 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 0.00 126 V 7.62 3.24 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 0.13 0.00 0.00 0.97 0.00 0.00 127 I 7.39 3.37 1.93 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 1.57 0.17 0.99 0.00 0.00 128 D 8.48 4.36 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.01 3.91 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 130 W 7.96 4.45 0.00 3.71 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 0.00 131 R 8.33 3.93 0.00 2.05 2.11 0.00 3.18 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 132 E 8.44 3.92 0.00 2.18 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 0.00 2.32 2.41 0.00 133 T 8.23 3.87 4.44 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 1.25 0.00 0.00 134 I 7.71 3.59 1.71 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.22 0.77 0.00 0.00 135 R 8.29 3.89 0.00 1.95 1.97 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 1.63 1.89 0.00 136 T 8.13 3.86 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 1.22 0.00 0.00 137 L 7.89 3.96 0.00 1.83 1.69 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.99 3.53 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 139 Q 8.29 3.93 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 140 T 8.22 3.94 4.36 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 1.20 0.00 0.00 141 G 8.31 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.28 4.00 1.97 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 1.63 1.47 0.90 0.00 0.00 143 A 7.94 4.03 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 0.00 144 R 7.82 4.27 0.00 1.89 1.94 0.00 3.23 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 145 G 7.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.36 4.73 0.00 1.91 1.81 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 2.12 2.02 0.00 147 I 7.37 5.01 1.83 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 1.31 0.78 0.92 0.00 0.00 148 R 8.77 4.00 0.00 1.72 2.04 0.00 3.27 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 149 P 0.00 4.30 0.00 2.03 2.11 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 150 E 8.00 4.16 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 151 V 7.50 3.52 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.94 0.00 0.00 152 D 8.66 4.58 0.00 2.75 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 0.00 153 A 8.45 3.95 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 0.00 154 D 8.10 4.27 0.00 2.80 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 0.00 155 R 8.39 3.90 0.00 2.11 1.98 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 156 L 8.04 3.97 0.00 1.80 1.84 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.14 3.90 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 0.00 158 L 8.19 3.98 0.00 1.71 1.75 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.14 3.92 0.00 1.80 1.85 0.85 0.73 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 0.00 160 I 7.81 3.69 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.76 1.05 0.00 0.00 161 I 7.83 3.79 2.01 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 1.81 0.73 1.25 0.00 0.00 162 A 8.08 4.21 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 0.00 163 T 7.90 3.97 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 1.19 0.00 0.00 *165 E 8.13 4.27 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 166 G 8.27 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 0.00 0.00 0.00 167 A 8.23 4.08 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 0.00 168 V 7.44 3.71 2.42 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 1.12 0.00 0.00 1.22 0.00 0.00 *170 L 8.06 4.21 0.00 1.99 1.84 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.37 4.35 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 0.00 172 R 7.91 3.97 0.00 1.90 2.03 0.00 3.21 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 173 I 7.73 3.88 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 1.43 0.63 0.98 0.00 0.00 174 L 8.25 4.17 0.00 1.72 1.71 0.93 0.84 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 0.00 175 E 7.95 3.81 0.00 2.17 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 2.25 2.37 0.00 176 T 7.36 4.57 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 1.21 0.00 0.00 177 A 8.59 4.17 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 0.00 178 T 7.79 3.71 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 179 P 0.00 4.28 0.00 2.17 2.12 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 180 L 7.86 4.08 0.00 1.86 1.73 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 181 E 8.22 3.99 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 182 H 8.53 4.31 0.00 3.31 3.32 0.00 5.62 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 0.00 183 A 8.12 3.99 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 0.00 184 Y 8.24 4.02 0.00 3.16 3.23 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 0.00 185 T 8.30 3.87 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 1.27 0.00 0.00 186 H 8.59 4.11 0.00 3.26 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 8.08 3.98 0.00 1.68 1.70 0.92 0.86 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 0.00 188 A 8.09 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 T 7.95 3.77 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 1.21 0.00 0.00 190 Y 8.14 4.10 0.00 2.83 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 0.00 191 I 8.05 3.30 1.85 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 1.43 0.51 0.81 0.00 0.00 192 T 7.82 3.79 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 1.16 0.00 0.00 193 Q 8.05 4.17 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 194 Q 8.07 4.44 0.00 1.51 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 195 V 7.11 3.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.58 0.00 0.00 196 R 7.83 4.29 0.00 1.89 1.95 0.00 3.21 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 197 L 8.98 4.52 0.00 1.66 1.64 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 198 A 7.47 4.27 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 * Residues marked with a * may have inaccurate shift predictions.