NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3100 8.1233 123.5822 51.9783 20.5414 177.7570 1 M 4.2991 8.0598 114.1325 53.9546 31.8435 174.1237 2 T 4.7318 8.1742 110.4444 59.8691 72.4420 172.7142 3 D 4.8445 8.1448 120.3605 52.3108 44.9410 175.2459 4 A 4.3002 8.3581 124.2680 51.4332 19.3834 177.8972 5 V 3.7906 8.1556 122.2443 60.8119 32.3161 175.7899 6 L 3.9249 8.5828 126.5592 54.9700 42.1453 175.6730 7 E 4.5360 8.4581 126.0705 54.2264 30.8329 175.7881 8 L 3.8915 8.2408 124.7250 53.4197 42.5755 175.7754 9 P 4.3505 0.0000 0.0000 62.1944 32.2023 177.0038 10 A 4.2428 8.9629 123.1766 55.8163 18.1658 180.1095 11 A 4.0075 8.1017 118.3155 55.5774 18.2091 179.5692 12 T 3.6902 7.8140 114.3784 67.0011 68.5177 176.2801 13 F 4.4231 7.9564 118.1794 59.1737 38.7761 176.2251 14 D 4.8887 7.8018 116.7970 53.7550 41.8575 176.6812 15 L 4.0622 7.4874 120.8353 54.1536 41.9417 175.2933 16 P 4.5703 0.0000 0.0000 62.6397 32.4478 176.0774 17 L 4.6836 9.0280 124.4605 52.6066 42.6302 175.9546 18 S 4.5337 8.6111 120.2190 58.6381 64.0560 173.9592 19 L 4.9031 8.6839 126.9222 52.7894 44.0797 175.9976 20 S 4.4580 8.3507 113.3480 59.0778 64.2369 174.0423 21 G 3.9978 8.9504 107.0243 46.2539 0.0000 173.8472 22 G 3.9023 8.2778 104.6601 46.8480 0.0000 173.0726 23 T 4.9276 7.2492 108.0059 59.9411 73.1056 172.8067 24 Q 5.0044 8.3128 118.0938 56.1210 31.8268 172.5808 25 T 4.8197 8.5826 113.7015 61.5519 71.5035 171.6238 26 T 4.9614 8.2161 111.4688 60.0680 71.8767 174.2731 27 L 4.2011 8.7339 121.5234 57.9074 42.2115 179.8563 28 R 3.9146 8.5007 118.7522 59.1740 30.1385 178.2959 29 A 4.0829 7.8782 119.5968 54.9995 18.5644 177.5680 30 H 4.6259 8.4222 112.1695 55.4949 28.8993 174.9651 31 A 4.2039 7.7143 123.4952 54.1866 18.4377 178.3372 32 G 3.9888 8.9611 111.2781 44.8999 0.0000 173.2062 33 H 5.2194 8.1245 116.6142 53.5795 31.8164 174.2963 34 W 4.5219 9.2640 122.0122 56.6880 30.6772 175.0215 35 L 5.1966 9.3623 124.5457 53.3937 45.1835 175.1247 36 V 4.7844 8.8160 126.5342 61.3975 33.5678 174.2585 37 I 4.6853 8.9451 130.1721 59.6075 39.3744 174.1829 38 Y 5.2944 8.2792 125.8883 55.1265 40.7333 174.6510 39 F 5.1846 9.9521 121.9993 56.0590 41.6698 174.3316 40 Y 5.3447 8.5251 120.2564 54.6727 41.0418 173.3947 41 P 4.5353 0.0000 0.0000 62.1796 32.6020 177.5031 42 K 4.2312 8.2149 119.6856 56.8761 30.1864 176.5172 *47 G 3.9198 7.9644 115.3034 46.4661 0.0000 172.7496 48 A 3.7228 7.8749 122.0362 54.7265 18.5170 179.3938 49 T 3.6395 7.7566 110.9954 65.5087 67.3649 176.2042 50 T 3.8025 7.7462 117.0604 66.6796 68.6070 176.0541 51 E 3.8476 8.3348 121.4409 59.1103 29.5798 179.0913 52 G 3.7997 8.0436 105.7653 47.6032 0.0000 175.7725 53 L 4.2537 8.3336 121.9526 57.4313 41.3468 179.4141 54 D 4.2728 8.1250 118.5496 57.4136 41.1664 178.4984 55 F 4.2762 8.1395 118.3145 60.5191 38.8853 177.2954 56 N 4.6359 8.9605 116.6645 56.7255 38.5456 176.7545 57 A 4.1658 8.3497 121.5459 54.1906 18.6687 178.5362 58 L 4.5963 7.6641 115.3969 54.4171 42.1277 177.7827 59 L 4.1973 7.9839 123.3495 58.2915 41.9646 177.3413 60 P 4.5433 0.0000 0.0000 65.7416 31.2685 178.4722 61 E 3.9461 8.1165 116.9461 59.3651 29.4513 179.1729 62 F 4.1432 8.2794 117.9015 60.4411 38.8650 177.4333 63 D 4.4545 8.7620 119.0470 57.4762 40.5055 178.7691 64 K 3.9424 8.0411 118.2525 59.1830 32.2020 177.6426 65 A 4.3794 7.6589 118.0112 51.6214 18.9005 177.2997 66 G 3.8790 8.6870 106.3191 46.4656 0.0000 173.1625 67 A 5.6380 8.2073 119.7313 49.7996 22.0851 176.8673 68 K 4.7558 9.0514 117.8323 54.6350 36.1923 175.4967 69 I 4.6419 8.1546 122.6363 59.4106 40.0679 175.0828 70 L 4.7330 8.4940 125.2209 52.9607 45.6094 175.5040 71 G 3.3359 8.9603 111.6493 44.1659 0.0000 172.5759 72 V 4.6740 8.2851 124.0646 61.0044 34.9573 174.3200 73 S 4.5978 8.3102 120.7248 56.8932 66.1532 174.5547 74 R 3.9916 8.5400 121.6268 58.9388 29.8051 175.7883 75 D 5.4403 7.8087 114.7699 51.9522 42.4092 174.7302 *78 K 4.1646 8.6481 117.2796 56.1252 34.4681 175.4030 79 S 4.8964 7.7541 113.1511 55.9940 63.4022 172.3351 80 H 4.9742 8.5026 124.6760 53.9342 30.5870 174.4414 81 D 4.5010 8.8934 124.3104 57.5042 41.4394 177.3183 82 N 4.8259 7.9137 117.0059 50.9321 37.4044 173.7566 83 F 4.9573 7.3738 118.6319 57.5645 42.6614 173.2356 84 C 4.1469 7.0251 118.3837 58.5143 30.0685 173.1718 85 A 4.8307 7.0203 123.4793 49.9497 21.7184 177.1472 86 K 4.1657 8.5780 118.7848 58.8993 33.1822 176.8874 87 Q 4.8084 6.8616 117.1255 54.1355 32.6263 175.6661 88 G 3.7988 10.0339 108.2801 45.3122 0.0000 171.1653 89 F 2.7623 7.4768 118.4188 56.0607 42.1717 174.5495 90 A 4.1816 5.8000 124.1586 54.4332 18.1011 177.3221 91 F 5.0994 6.3408 106.9263 54.2476 41.6069 173.3410 92 P 4.2866 0.0000 0.0000 63.3083 32.2772 175.6037 93 L 4.9554 8.3378 124.2340 52.4762 42.0275 175.3998 94 V 3.7852 8.7532 123.6136 62.7619 33.3142 174.5355 95 S 4.4247 8.1688 120.4187 56.4676 63.3889 173.2107 96 D 4.9286 8.7581 132.7756 51.9407 39.6472 176.6750 97 G 3.8390 8.1485 112.8237 48.6537 0.0000 172.2005 98 D 4.5237 8.0517 116.0714 52.3605 39.9831 175.9273 99 E 4.0043 8.4479 118.3085 57.6489 28.1790 176.4383 100 A 3.9586 8.4459 123.4954 55.2353 18.4384 180.3840 101 L 4.0277 8.1845 118.3794 58.4282 42.3328 178.7024 102 C 3.8599 8.6343 116.7822 62.9690 28.1084 176.4084 103 R 3.8940 8.3050 119.5580 59.0845 29.3665 178.9428 104 A 3.8961 7.7225 119.5874 54.7180 18.4411 178.7439 105 F 3.8690 7.8112 112.7306 56.2549 39.5115 175.1164 106 D 4.3102 7.7273 117.1475 55.6032 39.9296 174.0854 107 V 4.1709 7.5980 109.3246 61.2205 33.1943 176.3324 108 I 4.5222 7.5596 122.5021 60.5460 37.5004 175.2488 109 K 4.8464 9.1882 127.0096 54.3234 35.9023 174.9598 110 E 5.3349 8.6520 119.2102 54.6263 32.0617 175.3850 111 K 4.6224 8.6106 120.0919 55.2640 36.7351 175.0363 112 N 4.9305 8.8002 121.3190 53.5180 39.3253 174.1738 113 M 4.1538 9.2449 128.0455 54.4076 33.0741 176.0469 114 Y 3.8297 9.2133 122.1293 58.9772 35.7795 171.7281 115 G 4.0454 8.4244 109.0796 44.6603 0.0000 174.2785 116 K 4.5610 7.9747 121.3737 54.6860 34.4425 175.5294 117 Q 4.6601 8.6973 126.2644 55.8089 29.4564 175.3304 118 V 4.4088 8.7691 125.3229 60.9595 33.9630 174.5929 119 L 4.8608 8.5742 127.7598 54.4550 42.9651 175.9552 120 G 4.1292 8.7286 108.2914 45.4389 0.0000 172.1665 121 I 4.5462 8.3088 121.5331 60.8495 37.9035 175.3105 122 E 4.4657 8.8467 129.1997 54.3921 30.7979 175.4092 123 R 4.3286 8.7755 127.3171 57.6720 31.0605 175.1565 124 S 5.2653 9.1218 120.7098 57.6639 68.1663 173.2687 125 T 5.3960 9.1500 118.0309 62.1461 72.9737 173.1028 126 F 5.5862 9.6950 122.9873 55.7985 43.7178 173.4695 127 L 5.3533 9.5946 125.3268 53.7001 43.9917 174.8440 128 L 5.4699 9.4504 127.2971 53.0263 44.3840 176.8275 129 S 3.3225 8.8658 118.3767 56.7027 64.5065 173.3736 130 P 4.5488 0.0000 0.0000 64.0054 31.0149 177.7031 131 E 4.3170 7.8680 116.2005 55.8109 29.8915 176.6331 132 G 3.9215 8.2071 107.7656 45.3255 0.0000 173.8402 133 Q 4.2024 7.6713 118.7563 54.8973 29.5425 175.8627 134 V 4.2842 8.2031 121.7245 62.4541 30.8782 175.6444 135 V 3.9793 8.7917 129.2172 65.6472 32.1553 175.9505 136 Q 4.6273 7.9376 118.6766 54.8853 32.2780 173.0008 137 A 5.1492 7.8791 124.6083 50.0822 23.0845 175.4085 138 W 4.9368 9.2335 118.9862 55.1107 32.8313 174.9423 139 R 4.8279 8.6571 122.8305 54.0281 33.2135 175.2561 140 K 3.8067 8.6144 117.1723 57.3007 29.5948 176.5070 141 V 3.6000 7.9084 117.3869 63.0373 32.2222 174.9296 142 K 4.4549 8.3241 126.3359 54.5275 33.2759 176.3938 143 V 3.4839 8.5205 124.3651 65.5682 31.6692 175.6297 144 A 3.9618 7.8944 122.4637 53.7228 18.3477 177.4441 145 G 3.8540 8.8782 110.6180 46.7266 0.0000 174.5135 146 H 3.8648 8.3961 120.0986 59.1427 29.8299 176.9589 147 A 2.9770 7.3496 121.9408 54.9514 18.0092 179.0778 148 D 4.1428 7.7675 116.4695 57.4860 40.9608 178.8015 149 A 3.9854 7.6467 121.1370 55.0543 18.2633 179.8950 150 V 3.2125 7.6434 117.0992 65.8213 31.4565 178.0374 151 L 3.6491 8.1459 120.0200 57.9561 41.8451 178.7728 152 A 3.8853 8.0556 120.4945 55.0367 18.2919 179.4870 153 A 3.9638 8.2301 119.2590 55.1405 18.5188 179.4877 154 L 3.6924 8.2554 119.1271 58.3638 41.9569 179.3006 155 K 3.7860 7.9374 116.8973 59.3056 31.9949 178.9173 156 A 4.0590 7.6159 119.9938 55.6136 18.1322 179.1969 157 H 4.3794 8.1671 114.5511 58.5222 28.4560 176.8795 158 A 4.4432 7.6752 120.6840 51.5246 18.4109 177.4436 159 K 4.1565 7.5287 124.1498 58.0483 32.7671 175.7717 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 A 8.12 4.31 1.33 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 0.00 0.00 0.00 1 M 8.06 4.30 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 2 T 8.17 4.73 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 3 D 8.14 4.84 0.00 2.62 2.55 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 4 A 8.36 4.30 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 5 V 8.16 3.79 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 6 L 8.58 3.92 0.00 1.67 1.68 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.46 4.54 0.00 1.93 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 2.20 2.45 0.00 8 L 8.24 3.89 0.00 1.36 0.94 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.35 0.00 2.09 1.92 0.00 3.38 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 10 A 8.96 4.24 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 11 A 8.10 4.01 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 12 T 7.81 3.69 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 13 F 7.96 4.42 0.00 3.11 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 14 D 7.80 4.89 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 15 L 7.49 4.06 0.00 1.67 1.63 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.57 0.00 1.94 2.15 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 17 L 9.03 4.68 0.00 1.56 1.55 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.61 4.53 0.00 3.89 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 19 L 8.68 4.90 0.00 1.59 1.67 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.35 4.46 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 21 G 8.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.28 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 0.00 0.00 0.00 23 T 7.25 4.93 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 1.27 0.00 0.00 24 Q 8.31 5.00 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 25 T 8.58 4.82 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 1.27 0.00 0.00 26 T 8.22 4.96 4.51 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 1.34 0.00 0.00 27 L 8.73 4.20 0.00 1.99 2.03 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.50 3.91 0.00 2.09 2.04 0.00 3.09 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 29 A 7.88 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 30 H 8.42 4.63 0.00 3.49 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.71 4.20 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.96 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 33 H 8.12 5.22 0.00 3.28 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 9.26 4.52 0.00 3.43 3.30 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 35 L 9.36 5.20 0.00 1.78 1.57 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.82 4.78 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.90 0.00 0.00 37 I 8.95 4.69 1.76 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 1.11 0.66 0.18 0.00 0.00 38 Y 8.28 5.29 0.00 2.99 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 39 F 9.95 5.18 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 5.34 0.00 3.04 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 41 P 0.00 4.54 0.00 2.25 2.36 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 42 K 8.21 4.23 0.00 1.89 1.88 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.39 7.81 *47 G 7.96 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 0.00 0.00 0.00 48 A 7.87 3.72 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 49 T 7.76 3.64 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 50 T 7.75 3.80 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 1.21 0.00 0.00 51 E 8.33 3.85 0.00 2.00 1.85 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 1.88 2.12 0.00 52 G 8.04 3.80 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 0.00 0.00 0.00 53 L 8.33 4.25 0.00 1.85 1.79 0.95 1.30 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 54 D 8.13 4.27 0.00 2.50 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.14 4.28 0.00 3.09 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 56 N 8.96 4.64 0.00 3.13 3.15 0.00 0.00 7.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.35 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.66 4.60 0.00 2.05 1.68 0.93 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.98 4.20 0.00 2.11 1.80 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.54 0.00 2.22 2.12 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 61 E 8.12 3.95 0.00 1.97 1.76 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 2.33 2.34 0.00 62 F 8.28 4.14 0.00 3.30 3.09 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 63 D 8.76 4.45 0.00 2.90 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 64 K 8.04 3.94 0.00 1.87 2.00 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 65 A 7.66 4.38 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 66 G 8.69 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.21 5.64 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 9.05 4.76 0.00 1.70 1.69 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.45 7.81 69 I 8.15 4.64 0.99 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.11 -0.35 0.00 0.00 70 L 8.49 4.73 0.00 1.24 1.26 0.72 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.96 3.34 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 0.00 72 V 8.29 4.67 0.95 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 0.77 0.00 0.00 0.33 0.00 0.00 73 S 8.31 4.60 0.00 2.72 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 74 R 8.54 3.99 0.00 1.81 1.88 0.00 3.42 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 75 D 7.81 5.44 0.00 2.64 2.55 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 *78 K 8.65 4.16 0.00 1.92 2.12 0.00 1.48 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.40 7.81 79 S 7.75 4.90 0.00 3.85 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 80 H 8.50 4.97 0.00 3.25 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.89 4.50 0.00 2.70 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 82 N 7.91 4.83 0.00 2.84 2.95 0.00 0.00 6.63 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.37 4.96 0.00 3.11 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 84 C 7.03 4.15 0.00 2.85 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 85 A 7.02 4.83 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 0.00 0.00 86 K 8.58 4.17 0.00 1.95 2.11 0.00 1.49 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.43 7.81 87 Q 6.86 4.81 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 88 G 10.03 3.80 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 0.00 0.00 0.00 89 F 7.48 2.76 0.00 2.45 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 90 A 5.80 4.18 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 91 F 6.34 5.10 0.00 3.09 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 92 P 0.00 4.29 0.00 2.13 2.05 0.00 3.91 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 2.17 2.18 0.00 93 L 8.34 4.96 0.00 1.45 1.58 0.21 0.94 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 94 V 8.75 3.79 1.92 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 0.82 0.00 0.00 0.85 0.00 0.00 95 S 8.17 4.42 0.00 3.86 3.70 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 96 D 8.76 4.93 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 97 G 8.15 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 98 D 8.05 4.52 0.00 2.79 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 99 E 8.45 4.00 0.00 2.20 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 2.34 2.22 0.00 100 A 8.45 3.96 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 0.00 101 L 8.18 4.03 0.00 1.83 1.95 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 102 C 8.63 3.86 0.00 3.15 2.87 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 0.00 103 R 8.30 3.89 0.00 1.88 1.94 0.00 3.10 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 104 A 7.72 3.90 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 0.00 105 F 7.81 3.87 0.00 2.39 2.33 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 0.00 106 D 7.73 4.31 0.00 2.73 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 0.00 107 V 7.60 4.17 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 0.54 0.00 0.00 0.46 0.00 0.00 108 I 7.56 4.52 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.90 0.00 0.00 109 K 9.19 4.85 0.00 1.61 1.67 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.71 7.81 110 E 8.65 5.33 0.00 1.92 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 2.15 2.26 0.00 111 K 8.61 4.62 0.00 1.78 1.86 0.00 1.27 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.35 7.81 112 N 8.80 4.93 0.00 2.74 2.76 0.00 0.00 6.91 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 0.00 113 M 9.24 4.15 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.35 0.00 114 Y 9.21 3.83 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.42 4.05 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 0.00 0.00 0.00 116 K 7.97 4.56 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.42 7.81 117 Q 8.70 4.66 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.46 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 118 V 8.77 4.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.00 0.00 0.00 119 L 8.57 4.86 0.00 1.57 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0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 128 L 9.45 5.47 0.00 1.80 1.66 1.31 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.87 3.32 0.00 3.19 3.69 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 0.00 130 P 0.00 4.55 0.00 1.92 1.97 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.30 0.00 131 E 7.87 4.32 0.00 1.78 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 2.13 2.23 0.00 132 G 8.21 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 0.00 133 Q 7.67 4.20 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 134 V 8.20 4.28 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 1.05 0.00 0.00 0.96 0.00 0.00 135 V 8.79 3.98 2.47 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 0.65 0.00 0.00 1.18 0.00 0.00 136 Q 7.94 4.63 0.00 2.05 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 137 A 7.88 5.15 1.13 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 0.00 0.00 138 W 9.23 4.94 0.00 3.20 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 0.00 139 R 8.66 4.83 0.00 1.68 2.04 0.00 3.41 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 140 K 8.61 3.81 0.00 1.91 1.88 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.52 7.81 141 V 7.91 3.60 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 0.36 0.00 0.00 0.94 0.00 0.00 142 K 8.32 4.45 0.00 1.77 1.72 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 143 V 8.52 3.48 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 0.97 0.00 0.00 0.90 0.00 0.00 144 A 7.89 3.96 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 0.00 145 G 8.88 3.85 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 0.00 0.00 0.00 146 H 8.40 3.86 0.00 3.33 3.11 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 0.00 147 A 7.35 2.98 0.46 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 0.00 148 D 7.77 4.14 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.65 3.99 1.33 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 0.00 0.00 0.00 150 V 7.64 3.21 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 1.11 0.00 0.00 -0.23 0.00 0.00 151 L 8.15 3.65 0.00 1.30 1.59 -0.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.06 3.89 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 0.00 153 A 8.23 3.96 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 0.00 0.00 0.00 0.00 0.00 154 L 8.26 3.69 0.00 1.83 1.81 0.32 1.02 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 0.00 155 K 7.94 3.79 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.45 7.81 156 A 7.62 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 H 8.17 4.38 0.00 2.92 3.33 0.00 5.81 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 0.00 158 A 7.68 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.53 4.16 0.00 1.99 1.85 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.