NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.6415 8.1749 117.3819 63.4961 69.9017 173.1391 3 T 4.5647 8.9393 123.7596 62.8669 68.9015 173.1805 4 R 4.2922 9.8841 125.8387 56.6100 32.3450 175.5234 *6 I 4.1713 7.4960 120.5026 61.1249 39.0617 174.3772 7 I 4.6400 8.1616 127.7982 59.4718 39.5665 174.5080 8 L 4.9760 9.1062 128.3671 53.1961 43.8252 175.3481 9 N 5.0027 8.4148 121.5204 51.7248 41.7982 173.2739 10 G 4.1639 7.9818 110.8032 45.5392 0.0000 173.4764 11 G 3.8605 8.1434 109.9305 44.4972 0.0000 173.1626 12 S 4.2501 8.9331 115.1501 59.8541 61.4435 175.1534 13 S 4.0537 8.9275 120.8930 59.1308 59.8950 171.8704 14 A 3.8296 7.8335 124.1292 53.3578 18.4753 179.2569 15 G 4.0727 7.8917 104.4956 45.2941 0.0000 175.5934 16 K 3.7363 8.3705 120.1350 59.7293 31.8823 178.8418 17 S 4.1908 8.1313 114.4560 61.7075 62.8181 176.9546 18 G 3.5700 7.9959 107.6344 47.9195 0.0000 175.5641 19 I 3.6123 7.6990 122.3405 63.8761 36.9859 178.6508 20 V 3.4739 7.8923 119.3228 66.2003 31.3765 178.3232 21 R 3.8805 8.1818 117.9289 59.4067 29.8219 178.9198 22 C 4.0982 8.0663 116.5740 62.6431 28.0724 176.0428 23 L 3.8613 8.2407 120.8994 57.9943 40.9886 179.5787 24 Q 4.1067 8.0385 116.8888 58.9550 28.6566 178.7850 25 S 4.2464 7.7491 113.3805 61.2289 62.5805 176.1527 26 V 3.7997 8.1530 119.8869 64.9689 31.7222 176.4963 27 L 4.0957 7.6815 118.4107 54.2068 42.0016 175.6211 28 P 4.4299 0.0000 0.0000 65.7164 31.5121 176.9490 29 E 4.3166 8.0948 117.0993 54.3371 30.3214 174.4035 30 P 4.4380 0.0000 0.0000 62.6208 31.7857 175.4570 31 W 4.6937 8.7531 123.3498 54.6326 31.1679 175.6173 32 L 4.3507 8.9083 125.2704 54.1523 42.6726 175.6121 33 A 5.2002 8.0520 124.2045 50.2546 21.3698 175.6499 34 F 5.0949 9.3129 119.8028 56.4160 44.3305 173.9025 35 G 5.0258 9.6547 107.9785 44.7573 0.0000 174.1397 36 V 3.6572 8.6131 119.7568 65.0670 30.7693 178.3212 37 D 4.3734 8.1415 118.9299 57.3787 40.8714 178.8034 38 S 4.1603 8.1456 113.9641 61.0229 62.7040 176.1634 39 L 3.4711 7.4944 123.5662 58.0145 41.8310 178.4081 40 I 3.7853 7.6090 118.5761 64.5707 37.1280 177.7820 41 E 4.0928 8.1718 118.2058 59.0341 30.1441 178.7004 42 A 4.2040 7.5704 120.9032 50.2556 17.5189 175.5621 *44 P 4.1141 0.0000 0.0000 62.4274 33.0609 176.4738 45 L 4.0228 8.8251 122.9727 58.3460 42.7654 178.3105 46 K 4.1474 7.8265 117.8881 57.2057 30.5878 177.4726 *48 Q 4.7507 7.6003 114.4261 56.3892 31.4019 176.3511 49 S 4.6008 7.8302 111.1852 55.5648 62.1727 171.4862 50 A 4.5107 7.3865 123.3472 51.6108 21.9032 175.2116 51 E 4.2411 8.3683 115.5508 59.0829 30.2654 178.1250 52 G 3.9899 7.9624 102.6598 46.0827 0.0000 171.9624 53 G 4.7065 8.1596 108.4480 46.2150 0.0000 173.7722 54 I 5.0631 8.5632 124.3601 58.8565 41.4278 173.8506 55 E 4.7725 8.4470 125.1615 54.5760 33.4235 174.0644 56 F 5.3017 8.8365 120.2106 55.8087 41.3385 175.6879 57 D 4.6643 8.7199 124.3384 52.5111 41.0205 176.6120 58 A 4.0656 8.6603 121.2575 55.6517 18.6180 178.2175 59 D 4.6498 8.4582 114.1948 53.4478 39.4172 177.9541 60 G 4.0748 7.9769 106.2538 45.3318 0.0000 174.5281 61 G 4.3796 8.0619 106.8501 45.7607 0.0000 173.0117 62 V 5.0205 8.2037 121.1415 60.7210 34.9444 174.7958 63 S 4.6446 8.4061 120.0671 56.5482 66.6458 172.6618 64 I 4.5000 8.2093 122.8233 59.5238 39.3818 175.8737 65 G 4.0318 9.4276 116.5583 44.3860 0.0000 172.6911 66 P 4.4474 0.0000 0.0000 65.7096 31.1488 178.3815 67 E 3.9446 8.1494 117.9855 59.1336 29.3820 178.8299 68 F 3.8431 12.0000 120.2747 61.2243 39.4271 176.7717 69 R 4.0320 8.1588 118.1071 59.6154 29.9435 177.9716 70 A 4.0069 8.3120 120.5324 55.2681 18.3407 179.5460 71 L 3.8282 7.6027 116.6884 57.9924 41.7058 179.2257 72 E 3.9844 8.3460 119.6774 59.2913 29.4684 179.0790 73 G 3.4159 8.4440 105.6914 47.7767 0.0000 175.5199 74 A 3.8926 7.7553 123.1922 54.4216 18.3826 179.4606 75 W 4.0162 8.5713 127.1264 60.3584 30.7172 178.0347 76 A 3.3438 8.0252 121.0496 55.1159 17.6605 179.4614 77 E 3.8996 7.5205 117.0523 59.2346 29.1719 180.0397 78 G 3.3774 7.4494 105.0320 47.9456 0.0000 175.9583 79 V 3.4837 6.9222 114.2163 63.6084 31.7244 178.5225 80 V 3.7549 7.7772 117.8387 65.6963 31.4072 179.2081 81 A 4.2590 7.9352 120.2717 51.8397 18.2311 179.3401 *83 A 4.9425 7.9401 124.4614 54.0113 20.4923 180.0512 84 R 3.9932 8.2705 114.5891 59.3286 30.0717 177.0037 85 A 4.2203 7.9213 118.3000 52.2407 18.5486 177.8246 86 G 3.9005 8.5604 104.8595 44.9994 0.0000 173.7309 87 A 4.3406 7.6262 123.2446 50.5377 20.3155 176.5928 88 R 3.9806 7.9535 122.0905 55.8396 30.9927 175.5220 89 I 5.0397 8.1896 125.0289 59.5487 39.8352 175.0452 90 I 4.8004 9.2809 127.5350 59.6343 39.9495 174.7027 91 I 5.8859 9.3425 127.1961 58.3983 40.9083 173.9191 92 D 5.3969 8.8820 125.8591 51.7888 42.2045 174.5580 93 D 5.1691 9.1944 120.5548 53.1783 46.0578 173.8369 94 V 4.5062 8.5062 119.7185 60.8035 33.1926 175.7646 95 F 5.0494 9.6708 129.7194 56.8278 36.5666 176.3803 96 L 3.9983 8.3321 123.8074 57.5796 42.0771 178.5460 97 G 4.0067 8.3413 105.7928 44.6141 0.0000 174.2300 98 G 3.9007 8.1541 111.0093 45.9390 0.0000 176.4754 99 A 3.9415 8.8036 123.1797 55.0578 17.9200 179.2796 100 A 3.8659 7.7626 118.9284 55.4463 18.4129 179.6858 101 A 3.7968 7.7884 118.5795 55.2638 18.4040 179.6237 102 Q 3.8682 7.6231 117.4656 59.3260 29.0971 178.1096 103 E 3.9246 8.4022 119.9712 59.2751 29.3349 179.1857 104 R 3.6849 8.0895 118.7561 59.4192 30.0643 178.6067 105 W 4.5343 8.3830 118.5514 59.9703 29.2001 178.6977 106 R 4.2844 8.8742 118.8039 59.3475 29.2832 179.1509 107 S 4.0726 8.1465 113.4593 61.5960 62.9125 176.3574 108 F 4.5715 7.5443 120.4609 60.1240 39.1502 177.7204 109 V 3.8835 8.7268 118.5919 64.8090 31.5820 176.5998 110 G 3.8257 8.3475 107.1547 47.0606 0.0000 173.7952 111 D 4.7645 8.7670 125.3655 52.9761 39.6714 176.4967 112 L 3.9655 7.5750 121.9837 55.3148 42.6985 176.0026 113 D 4.5866 8.7460 125.4674 54.4825 41.9559 174.6782 114 V 4.5036 8.4896 125.7983 60.8688 34.6943 174.5755 115 L 4.7155 8.2135 128.8564 53.2815 43.7725 174.9512 116 W 4.8944 9.8743 128.6665 56.1308 30.4094 175.7684 117 V 4.7643 9.1816 125.9147 60.9258 33.9528 174.2768 118 G 2.9576 8.4874 115.0743 43.9137 0.0000 172.3669 119 V 4.6080 8.4244 126.0935 61.4097 32.7723 175.0651 120 R 4.5712 8.6004 127.7555 55.1317 32.8911 175.2222 121 C 4.9436 7.9995 116.3501 58.6613 34.5023 173.3667 122 D 4.5329 8.8568 126.8282 54.5621 41.3915 177.5472 123 G 3.6598 9.1828 110.9337 48.1722 0.0000 175.9046 124 A 4.0178 8.0345 123.1972 54.6588 18.4213 179.7476 125 V 3.4764 7.7464 115.9834 65.9832 31.6714 177.7986 126 A 3.9214 8.3715 120.9406 55.1963 18.2230 178.9909 127 E 3.9483 8.5347 118.2336 59.4978 29.5521 179.3181 128 G 3.6034 7.9797 105.5044 48.0513 0.0000 175.9172 129 R 3.9075 8.1487 120.7756 58.6984 29.8489 178.7155 130 E 4.0481 8.3796 121.0675 58.9749 29.4694 179.1617 131 T 3.8757 7.8427 115.4884 66.4840 68.3373 176.5959 132 A 3.9704 7.9372 121.8329 55.3369 18.4877 179.4764 133 R 4.0027 8.2914 116.4411 57.4635 30.0945 177.4153 134 G 3.8610 7.6348 105.5326 45.5090 0.0000 173.0254 135 D 4.3411 7.4105 118.8346 54.2965 40.9739 176.7759 136 R 3.7550 8.3813 122.8934 59.1747 30.3333 177.3967 137 V 3.9506 7.2390 117.1522 59.7282 31.5223 176.1599 138 A 4.2948 8.1862 128.1935 52.8172 19.4801 176.6942 139 G 4.6174 9.6075 108.2660 47.0963 0.0000 176.4111 *141 A 4.5329 8.5697 121.9544 52.0308 19.7102 179.6176 142 A 3.9321 7.9629 116.7091 55.4280 18.3156 179.7670 143 K 4.1039 7.7479 115.1282 59.2892 31.9484 178.7016 144 Q 4.3692 7.5890 113.6323 56.2358 29.0418 177.3346 145 A 3.5621 7.4341 121.9851 54.8439 18.4471 178.0133 146 Y 4.7208 7.2908 112.6044 59.6892 39.9803 178.5016 147 V 3.7576 7.9940 112.6700 64.7489 31.4723 178.7087 148 V 4.1042 7.9006 110.0645 63.8834 31.6167 176.4314 149 H 4.8418 8.2725 114.8335 55.7210 29.4624 174.2694 150 E 4.0206 8.1781 121.9388 57.7021 29.4045 177.4214 151 G 3.9231 8.9155 113.8865 45.6529 0.0000 172.5708 152 V 4.0095 7.7619 119.9609 61.4795 32.3196 175.0199 153 E 4.3032 8.8815 127.4527 55.0771 30.6311 175.2221 154 Y 5.1597 8.0740 119.9235 56.4235 41.4021 175.2485 155 D 4.7910 9.3765 122.2954 56.4236 42.0383 177.2128 156 V 4.5307 7.6828 116.7055 61.3354 35.2808 173.2789 157 E 5.0473 8.7104 125.1119 54.6328 32.8347 175.4993 158 V 4.5104 8.7684 116.5728 59.4662 35.4522 174.2629 159 D 5.2515 8.3983 122.1729 52.7018 43.6931 175.5402 160 T 4.4086 8.6949 116.0411 61.9322 68.8680 176.0282 161 T 3.9007 8.6850 120.8914 66.8666 68.4993 174.8243 162 H 4.9862 7.9920 113.8380 54.8624 30.1815 172.8445 163 K 4.7220 7.3406 116.1915 53.9901 35.1621 176.1335 164 E 4.0920 8.7158 122.5487 55.7861 31.4124 178.6312 165 S 3.9565 8.3183 116.9404 61.9072 62.9026 176.7563 166 I 3.2045 7.4026 120.5600 64.0088 37.5271 177.5317 167 E 3.3308 7.3145 118.5599 59.4235 29.3190 178.9261 168 C 4.0725 7.9322 116.4729 62.6476 28.1431 176.0047 169 A 3.8749 8.1441 122.7597 54.9020 17.9151 179.6803 170 W 4.3665 7.9852 117.2841 59.9310 28.9182 178.5221 171 A 4.0867 7.9494 119.4561 55.2943 18.1288 179.5306 172 I 3.7633 8.0075 118.0890 64.5095 37.2093 178.4172 173 A 3.8809 8.5258 121.7634 55.2178 17.9192 179.3201 174 A 4.0855 7.8786 118.2874 55.4033 18.4585 178.6417 175 H 4.6557 8.0243 111.8072 55.1461 29.2603 175.3473 176 V 3.8790 7.5925 123.0917 62.3770 32.1711 175.4609 177 V 4.2049 8.8207 129.7777 60.9483 32.7038 174.0359 178 P 4.6203 0.0000 0.0000 63.1636 30.8560 176.2824 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 2 T 8.17 4.64 4.26 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 1.30 0.00 0.00 3 T 8.94 4.56 4.49 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 1.34 0.00 0.00 4 R 9.88 4.29 0.00 1.84 1.90 0.00 3.27 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 *6 I 7.50 4.17 1.71 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.46 0.73 0.00 0.00 7 I 8.16 4.64 1.09 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.20 0.48 0.00 0.00 8 L 9.11 4.98 0.00 1.51 1.45 0.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.41 5.00 0.00 1.54 2.47 0.00 0.00 6.72 7.48 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 10 G 7.98 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 0.00 0.00 0.00 0.00 11 G 8.14 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 12 S 8.93 4.25 0.00 4.04 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 13 S 8.93 4.05 0.00 4.07 3.95 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 0.00 0.00 0.00 14 A 7.83 3.83 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 15 G 7.89 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 0.00 0.00 0.00 0.00 16 K 8.37 3.74 0.00 1.78 1.86 0.00 1.63 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.50 7.81 17 S 8.13 4.19 0.00 3.83 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 18 G 8.00 3.57 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 0.00 0.00 0.00 19 I 7.70 3.61 1.93 0.00 0.00 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 1.28 0.53 0.79 0.00 0.00 20 V 7.89 3.47 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 21 R 8.18 3.88 0.00 1.96 1.93 0.00 3.15 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 22 C 8.07 4.10 0.00 3.04 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 3.86 0.00 1.69 1.47 0.73 0.81 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 24 Q 8.04 4.11 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 25 S 7.75 4.25 0.00 3.89 4.04 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 26 V 8.15 3.80 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.12 0.00 0.00 27 L 7.68 4.10 0.00 1.69 1.71 -0.34 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.43 0.00 2.23 2.23 0.00 3.86 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 2.10 2.05 0.00 29 E 8.09 4.32 0.00 2.14 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 30 P 0.00 4.44 0.00 2.15 2.08 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 31 W 8.75 4.69 0.00 3.14 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 32 L 8.91 4.35 0.00 1.65 1.41 1.06 0.90 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 33 A 8.05 5.20 1.16 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 0.00 0.00 34 F 9.31 5.09 0.00 3.19 3.32 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 35 G 9.65 5.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.61 3.66 2.25 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 0.98 0.00 0.00 1.06 0.00 0.00 37 D 8.14 4.37 0.00 2.76 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 38 S 8.15 4.16 0.00 4.22 4.26 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 39 L 7.49 3.47 0.00 0.96 1.45 0.05 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.61 3.79 2.06 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.06 1.02 0.00 0.00 41 E 8.17 4.09 0.00 2.09 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 2.36 2.50 0.00 42 A 7.57 4.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 P 0.00 4.11 0.00 2.21 2.09 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 45 L 8.83 4.02 0.00 1.63 1.78 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.83 4.15 0.00 1.98 2.00 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 *48 Q 7.60 4.75 0.00 2.27 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.37 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 49 S 7.83 4.60 0.00 3.84 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 50 A 7.39 4.51 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 51 E 8.37 4.24 0.00 2.01 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 0.00 2.36 2.24 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 128 G 7.98 3.60 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 0.00 0.00 0.00 129 R 8.15 3.91 0.00 1.99 1.96 0.00 3.09 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 130 E 8.38 4.05 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 131 T 7.84 3.88 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 1.20 0.00 0.00 132 A 7.94 3.97 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 0.00 133 R 8.29 4.00 0.00 1.83 2.13 0.00 3.68 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 134 G 7.63 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 0.00 135 D 7.41 4.34 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 3.76 0.00 1.64 1.87 0.00 3.12 0.00 0.00 3.10 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 137 V 7.24 3.95 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 0.55 0.00 0.00 0.71 0.00 0.00 138 A 8.19 4.29 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 0.00 139 G 9.61 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *141 A 8.57 4.53 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 0.00 142 A 7.96 3.93 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 0.00 143 K 7.75 4.10 0.00 1.80 1.92 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.62 7.81 144 Q 7.59 4.37 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 145 A 7.43 3.56 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 0.00 146 Y 7.29 4.72 0.00 2.97 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 0.00 147 V 7.99 3.76 2.15 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 1.00 0.00 0.00 1.04 0.00 0.00 148 V 7.90 4.10 2.15 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 0.87 0.00 0.00 0.79 0.00 0.00 149 H 8.27 4.84 0.00 3.54 3.55 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.18 4.02 0.00 2.09 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 2.34 2.31 0.00 151 G 8.92 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 0.00 152 V 7.76 4.01 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 0.62 0.00 0.00 1.21 0.00 0.00 153 E 8.88 4.30 0.00 1.63 1.68 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 2.16 2.08 0.00 154 Y 8.07 5.16 0.00 2.98 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 0.00 155 D 9.38 4.79 0.00 2.78 2.83 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 0.00 156 V 7.68 4.53 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 0.85 0.00 0.00 0.68 0.00 0.00 157 E 8.71 5.05 0.00 1.82 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 0.00 1.97 2.36 0.00 158 V 8.77 4.51 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 0.60 0.00 0.00 0.89 0.00 0.00 159 D 8.40 5.25 0.00 2.64 2.46 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 0.00 160 T 8.69 4.41 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 0.00 161 T 8.68 3.90 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 1.02 0.00 0.00 162 H 7.99 4.99 0.00 3.06 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 K 7.34 4.72 0.00 1.86 1.59 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.50 7.81 164 E 8.72 4.09 0.00 1.80 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 0.00 2.26 2.41 0.00 165 S 8.32 3.96 0.00 3.72 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.40 3.20 1.53 0.00 0.00 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 1.30 0.05 0.23 0.00 0.00 167 E 7.31 3.33 0.00 2.03 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 2.17 2.07 0.00 168 C 7.93 4.07 0.00 3.00 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 0.00 169 A 8.14 3.87 1.20 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 0.00 0.00 0.00 170 W 7.99 4.37 0.00 3.60 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 0.00 171 A 7.95 4.09 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 0.00 172 I 8.01 3.76 1.91 0.00 0.00 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 1.37 0.84 0.78 0.00 0.00 173 A 8.53 3.88 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 0.00 174 A 7.88 4.09 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 0.00 175 H 8.02 4.66 0.00 3.23 3.39 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.59 3.88 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 0.75 0.00 0.00 0.72 0.00 0.00 177 V 8.82 4.20 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 0.84 0.00 0.00 0.98 0.00 0.00 178 P 0.00 4.62 0.00 2.16 2.09 0.00 3.89 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.