NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6672 8.4244 119.2070 53.7392 40.4141 172.9086 3 L 4.3312 8.1168 119.9196 55.6893 43.5017 176.7971 4 K 3.9191 8.8956 120.5462 59.1469 33.1573 176.6573 5 D 4.8906 8.0168 118.8124 55.0162 40.7406 178.3704 6 K 4.5526 8.3586 126.8067 57.5040 33.9471 181.2467 7 I 4.2784 7.6035 120.4801 64.1718 37.3349 177.9496 8 L 3.9748 7.7991 118.7368 58.1779 41.4656 180.0683 9 G 3.8592 8.1765 104.5692 47.0844 0.0000 175.4888 10 V 3.8456 7.1858 119.7268 65.0576 31.9356 177.6233 11 A 3.4701 8.5149 121.2360 54.9781 18.1882 179.1162 12 K 3.8485 8.4682 118.1318 60.1275 32.1699 178.5033 13 E 3.9929 7.7880 116.9781 59.5518 29.3044 179.6243 14 L 3.9622 8.2347 119.2499 57.7984 41.5281 179.4989 15 F 4.7978 8.2529 116.9306 60.6159 38.8276 177.5597 16 I 4.0005 7.7014 119.1278 64.1979 37.1944 177.6030 17 K 3.9171 8.1369 119.6971 61.4625 32.5714 177.5586 18 N 4.8598 8.7789 122.1019 52.9965 40.0636 172.7172 19 G 4.4734 8.2290 110.4411 45.2256 0.0000 172.0216 20 Y 3.8848 8.4762 119.0396 60.7574 39.2107 178.7117 21 N 4.2952 8.7562 116.2773 57.0358 39.0049 177.0360 22 A 4.0719 7.6862 119.5070 54.8707 18.8558 177.4191 23 T 4.6794 7.2011 103.3894 59.6994 70.5898 174.4391 24 T 4.6157 8.0258 118.2511 59.5613 71.4239 174.4876 25 T 3.9718 8.5105 114.3893 65.2455 68.3908 176.1287 26 G 3.5460 8.0542 107.6894 47.5905 0.0000 175.1126 27 E 3.9269 8.2326 121.3677 59.2576 29.3699 179.5452 28 I 3.6157 7.6146 118.9404 64.3940 37.1602 178.2696 29 V 3.4041 7.6720 120.2460 67.3872 30.9931 178.3496 30 K 4.0311 7.9932 124.6783 60.6542 31.5228 181.6781 31 L 4.3567 7.7091 122.8990 59.3994 41.5538 181.4569 32 S 4.4584 9.0393 115.1449 58.3440 62.9837 171.7967 33 E 4.0282 7.8657 121.0844 56.3144 27.0143 174.8015 34 S 4.4824 7.5444 121.7142 58.2123 68.2299 172.6061 35 S 4.4782 8.7014 123.5573 58.7346 63.9306 174.9241 36 K 4.2436 8.7836 114.7546 59.2868 33.4516 179.2818 37 G 3.9852 8.5042 108.1741 48.7893 0.0000 174.5614 38 N 4.2858 8.0994 116.4625 56.0756 38.8040 176.5468 39 L 4.6844 7.8026 119.8427 53.8410 39.3273 174.9392 40 Y 4.9806 7.3985 120.6844 58.8290 44.7771 175.3183 41 Y 3.9411 7.4255 122.4610 60.6309 39.7109 177.1486 42 H 4.2658 8.0292 119.5148 57.7056 29.5890 175.9361 43 F 5.1929 7.6945 118.3860 55.3160 39.1108 176.2858 44 K 4.0290 8.8780 126.6119 57.6041 31.1712 179.0370 45 T 4.4578 8.7096 120.2084 60.9404 70.2701 174.3867 46 K 3.9596 8.7550 124.2252 59.6306 32.1280 178.3131 47 E 4.3559 8.1616 118.0380 58.2314 29.3555 178.4112 48 N 4.2900 8.2143 118.9319 56.5986 39.0577 176.6299 49 L 3.5120 7.8098 121.0277 57.6903 42.0530 178.2311 50 F 4.3540 8.0686 120.8335 60.9226 39.2476 177.1201 51 L 3.6081 7.8554 118.6513 57.7008 41.6129 179.1930 52 E 3.9631 7.9776 119.4110 59.2376 29.6821 178.5130 53 I 3.6023 7.3603 119.7555 64.6849 37.2944 178.4229 54 L 3.8532 7.5600 119.3832 57.4424 41.2586 179.2307 55 N 4.1861 8.1727 117.3845 57.5203 38.9633 176.1684 56 I 3.5038 8.0316 119.5493 64.3557 36.9607 177.5578 57 E 3.7689 8.5296 118.8618 59.9622 29.6908 179.5862 58 E 3.8146 8.1963 118.8191 59.3760 29.6833 179.0982 59 S 4.1075 8.0929 115.1722 61.4349 62.8242 176.6021 60 K 3.7538 8.1822 121.6082 59.1610 31.5929 179.0974 61 W 4.6501 8.3140 128.3656 60.8746 30.6363 177.8895 62 Q 3.6087 8.2228 119.2740 58.6354 28.3172 178.0067 63 E 3.8773 8.2535 120.6479 59.3049 29.8437 178.3422 64 Q 4.0546 8.3493 119.7483 58.9194 29.0510 178.2200 65 W 4.1887 8.1028 129.6434 60.4007 30.4923 178.2654 66 K 3.7574 7.5058 117.2386 58.8691 31.4792 179.1263 67 K 4.0690 7.7226 117.9639 58.1161 32.3351 178.0335 68 E 4.4755 7.5661 117.0392 56.3467 30.7654 177.4179 69 Q 3.3595 7.7108 118.2313 57.4530 28.1208 178.1262 70 I 3.6687 7.2382 114.1676 63.6403 37.9395 177.2629 71 K 3.9246 7.7223 118.5918 57.5845 31.8852 176.3992 72 A 4.6343 7.2602 122.0472 50.0747 19.6147 176.6813 73 K 4.0642 8.9857 123.1399 59.9451 32.4479 178.8721 74 T 4.5207 7.7012 108.3379 60.2674 72.0790 175.2174 75 N 4.4519 9.2446 119.7050 56.2515 38.3426 177.8335 76 R 4.4594 8.4305 120.5274 59.6967 30.0803 178.4540 77 E 4.2123 8.2974 118.1325 59.2456 29.4373 179.2401 78 K 4.3297 8.5349 118.8817 59.5665 32.1938 178.8758 79 F 4.2053 8.9552 121.1597 61.6026 39.4922 176.4130 80 Y 4.1021 8.3729 116.3557 61.2573 37.7566 178.9312 81 L 4.1022 8.6401 121.1413 58.3614 42.2661 178.1011 82 Y 3.2472 8.1911 119.6522 60.6350 38.2978 177.9844 83 N 4.1548 7.6252 115.4872 56.2553 38.9408 176.9923 84 E 4.0630 8.1263 119.8019 59.5512 29.5527 179.4256 85 L 4.0668 8.6244 119.3096 57.9854 41.4511 179.6846 86 S 2.9759 7.6870 114.3282 61.0526 62.6201 176.2840 87 L 3.9423 7.4390 120.4015 56.1489 41.5566 177.5340 88 T 4.3653 7.5450 107.1269 61.6379 70.4927 174.6775 89 T 3.9853 7.6525 118.5046 64.1165 68.7936 173.2061 90 E 4.4703 8.2669 118.2864 56.2216 30.3552 175.2328 91 Y 5.0685 7.5895 117.1910 57.9741 40.4047 175.0057 92 Y 3.5374 8.7937 126.5051 59.8560 39.7465 172.3794 93 Y 3.8684 7.5712 115.3903 60.5339 38.0384 176.2883 94 P 4.4109 0.0000 0.0000 63.1785 31.2375 176.4145 95 L 4.6852 7.5451 117.4790 53.9563 43.4276 178.2340 96 Q 3.8046 7.9046 119.2301 59.1571 28.7026 178.6123 97 N 4.3102 8.1569 116.3659 56.5414 38.6016 177.1699 98 A 4.0968 8.0140 121.3928 55.0231 18.4103 179.5525 99 I 3.7873 8.2335 118.8261 64.7302 37.1810 178.2736 100 I 3.9328 8.0230 120.7278 64.6582 36.7681 177.4969 101 E 3.8747 7.8852 118.4626 59.7246 29.7051 178.3924 102 F 3.6806 8.3018 120.0741 61.6475 39.1757 176.5897 103 Y 4.4968 8.8173 118.5904 60.2844 38.4949 176.9841 104 T 4.4976 7.5868 109.3375 61.0650 70.1789 175.7728 105 E 4.4305 7.6869 116.5241 58.3513 32.6256 175.9497 106 Y 4.4153 7.4319 115.3148 60.0591 41.2169 175.7272 *107 Y 5.0884 7.8457 116.0438 56.8530 36.6317 180.3472 108 K 4.3255 8.0052 122.2538 59.2429 33.1705 177.1778 109 T 4.0003 7.9508 109.4035 62.9673 69.1723 173.7968 110 N 5.0432 8.2370 117.7173 51.0627 37.5370 176.6146 111 S 4.4766 7.4559 109.2432 58.5881 63.5042 174.6921 *113 N 4.7559 8.2781 113.8084 52.3826 40.2687 175.6369 114 E 4.1901 7.7707 120.1175 58.1869 29.2867 178.3720 115 K 3.9920 7.7792 118.0234 59.4580 32.2932 178.6313 116 M 4.4190 7.9921 116.0782 57.3511 32.0261 175.7245 117 N 4.9330 7.4899 116.3940 53.8281 39.8833 175.4638 118 K 4.4886 7.6531 121.9218 57.9380 34.3710 182.0946 119 L 4.1874 9.3535 120.4888 57.4733 42.0055 178.4747 120 E 4.0348 8.1649 119.2210 59.3585 29.0888 178.3306 121 N 4.4345 7.8001 116.4503 56.0646 38.3201 177.1891 122 K 4.0876 7.9619 119.9036 59.2221 32.4810 177.8114 123 Y 4.5674 8.0807 120.5593 58.9882 39.0394 176.5673 124 I 4.3858 7.7801 111.7890 60.8367 38.2900 176.9601 125 D 4.3508 7.7436 120.3148 57.5837 41.0891 177.5847 126 A 3.9206 7.2777 119.7742 55.5613 18.1384 179.2283 127 Y 3.8342 7.6459 114.3559 60.7881 38.0547 177.7333 128 H 4.5157 8.1910 120.9352 58.7771 30.0687 177.3803 129 V 3.5313 8.2215 120.3645 66.1912 31.4245 177.8229 130 I 3.8035 7.8345 119.4604 64.7114 36.7240 178.4858 131 F 4.8040 8.2251 117.4313 60.2604 39.1009 177.6202 132 K 4.2177 8.8241 119.8074 59.6725 32.1961 178.5163 133 E 4.0772 8.8562 120.1715 59.2792 29.4738 178.9933 134 G 3.2797 8.2280 105.2960 47.5355 0.0000 175.4351 135 N 4.8111 8.3568 120.1103 55.5204 38.3902 177.2280 136 L 4.1506 7.6611 118.6294 56.3927 41.8240 177.9434 137 N 4.8048 7.6771 114.1922 51.7714 38.8788 174.9381 138 G 3.9178 7.5780 108.1637 46.1004 0.0000 175.7931 139 E 3.4182 7.4353 119.8297 58.4887 29.1165 176.5471 140 W 4.4404 6.6811 113.8211 56.0977 30.9827 173.2787 141 S 4.8336 8.8042 112.2320 56.8033 63.2256 172.6544 142 I 4.4271 8.7165 129.4261 59.3273 38.9688 175.9059 143 N 4.4645 8.9083 123.7629 55.4499 38.5148 176.5345 144 D 4.6526 7.5875 121.0108 51.3175 36.3041 176.5165 145 V 3.4450 7.4944 124.5783 67.1456 32.0800 176.2387 146 N 4.2222 8.3629 115.0623 56.6575 38.2881 176.8427 147 A 3.9125 7.8997 121.1630 55.1897 18.5512 179.3648 148 V 3.4395 7.7310 116.1521 66.2655 31.2491 178.4019 149 S 4.3906 8.7007 114.9820 61.7670 62.7715 176.8660 150 K 4.0087 8.0102 120.9005 59.5484 31.7371 179.4524 151 I 3.6825 8.0662 120.0034 64.2608 36.9641 178.3554 152 A 3.5169 8.2402 121.5886 54.9672 18.2115 179.3736 153 A 3.4255 7.3976 119.3267 55.3397 18.3508 179.6908 154 N 4.4475 8.1735 114.6000 56.2162 38.7837 177.5542 155 A 3.8579 8.1603 122.5978 55.0689 18.4402 179.8974 156 V 3.0859 7.7136 116.8925 66.1043 31.6168 177.6644 157 N 4.4888 8.4129 116.9299 56.6956 38.5855 177.0723 158 G 3.3231 7.9479 107.1868 47.7464 0.0000 175.9447 159 I 3.6769 7.1896 121.1228 63.7626 37.0568 178.4802 160 V 3.5564 7.3934 118.5665 66.0266 31.4227 177.9555 161 T 3.9377 7.4391 114.3680 65.8068 68.3769 175.5862 162 F 5.0318 7.3447 117.7692 57.6847 38.8994 176.2332 163 T 4.7179 7.6137 107.0567 61.4419 70.1632 174.0607 164 H 4.5753 8.1080 122.6939 55.2874 28.9607 175.5951 165 E 4.6567 7.0127 112.1719 54.0505 29.6543 174.2583 166 Q 4.4035 7.8129 114.6166 56.1496 31.2155 172.7092 167 N 4.0226 8.3176 115.7184 54.3154 39.2277 175.1293 168 I 3.9236 8.3790 124.4401 62.9718 38.8102 176.8980 169 N 4.5542 7.9969 116.9108 55.5157 39.3822 176.9147 170 E 3.9719 8.1820 118.7607 59.0434 29.6933 178.5670 171 R 3.8910 7.8056 117.6514 59.6116 30.1104 179.1848 172 I 3.6934 7.7817 119.2425 63.9638 36.9857 178.6185 173 K 4.0121 7.8300 120.2113 59.4439 32.1498 178.5869 174 L 4.0101 7.9215 119.2066 58.3501 41.5850 179.1153 175 M 4.0747 8.2143 117.8427 59.1059 32.0051 178.0764 176 N 4.5240 8.0924 116.5348 56.1502 38.8011 177.4169 177 K 4.0756 8.3142 121.1541 59.2553 32.2017 178.5571 178 F 4.1625 8.8720 121.5503 61.4037 39.5234 176.9359 179 S 4.1017 8.5119 115.0376 62.0444 62.5321 176.6047 180 Q 4.3800 8.0760 123.1812 58.7191 28.6604 178.0244 181 I 3.6677 7.7061 120.3944 65.2239 37.4958 177.4958 182 F 3.9618 8.4057 121.6493 60.5102 38.9119 176.6073 183 L 3.3583 8.1502 117.8230 58.2419 41.5635 179.4791 184 N 4.5070 8.2490 116.0017 56.0488 38.9956 176.4424 185 G 3.6772 8.3026 105.6302 45.6880 0.0000 175.0678 186 L 3.9570 7.0382 120.6303 57.0275 41.9247 176.8647 187 S 4.3569 7.8615 118.1148 58.7655 62.9481 173.8488 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 N 8.42 4.67 0.00 2.71 2.82 0.00 0.00 6.78 6.89 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 3 L 8.12 4.33 0.00 1.74 1.58 0.92 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.90 3.92 0.00 1.66 1.73 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.43 0.78 7.81 5 D 8.02 4.89 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.36 4.55 0.00 1.68 1.75 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.30 7.81 7 I 7.60 4.28 2.20 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 1.02 0.00 0.00 8 L 7.80 3.97 0.00 1.82 1.80 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.18 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 10 V 7.19 3.85 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 1.00 0.00 0.00 1.03 0.00 0.00 11 A 8.51 3.47 1.17 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 0.00 0.00 0.00 0.00 0.00 12 K 8.47 3.85 0.00 1.86 1.90 0.00 1.94 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.57 7.81 13 E 7.79 3.99 0.00 2.27 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 2.35 2.51 0.00 14 L 8.23 3.96 0.00 1.66 1.51 0.93 0.83 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 15 F 8.25 4.80 0.00 3.29 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.70 4.00 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 1.00 0.00 0.00 17 K 8.14 3.92 0.00 1.80 1.89 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 18 N 8.78 4.86 0.00 2.88 2.72 0.00 0.00 6.95 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.23 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 0.00 0.00 0.00 0.00 20 Y 8.48 3.88 0.00 2.76 2.90 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 21 N 8.76 4.30 0.00 2.76 2.91 0.00 0.00 7.12 8.54 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 22 A 7.69 4.07 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 23 T 7.20 4.68 4.08 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 1.22 0.00 0.00 24 T 8.03 4.62 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 25 T 8.51 3.97 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 1.25 0.00 0.00 26 G 8.05 3.55 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 0.00 27 E 8.23 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 2.39 2.42 0.00 28 I 7.61 3.62 2.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.06 0.88 0.00 0.00 29 V 7.67 3.40 2.24 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 1.08 0.00 0.00 1.08 0.00 0.00 30 K 7.99 4.03 0.00 1.92 1.65 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.33 7.81 31 L 7.71 4.36 0.00 1.77 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 S 9.04 4.46 0.00 3.82 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 33 E 7.87 4.03 0.00 2.14 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 2.25 2.56 0.00 34 S 7.54 4.48 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 35 S 8.70 4.48 0.00 3.94 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 36 K 8.78 4.24 0.00 1.95 2.11 0.00 1.37 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.52 7.81 37 G 8.50 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 38 N 8.10 4.29 0.00 2.80 2.95 0.00 0.00 6.93 7.85 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 39 L 7.80 4.68 0.00 1.88 1.92 1.21 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.40 4.98 0.00 2.92 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 41 Y 7.43 3.94 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.03 4.27 0.00 2.84 3.12 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.69 5.19 0.00 3.02 2.96 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 0.00 0.00 0.00 44 K 8.88 4.03 0.00 1.78 1.63 0.00 1.88 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 45 T 8.71 4.46 4.30 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 1.23 0.00 0.00 46 K 8.75 3.96 0.00 1.92 1.90 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.58 1.56 7.81 47 E 8.16 4.36 0.00 2.32 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 2.25 2.19 0.00 48 N 8.21 4.29 0.00 2.96 2.94 0.00 0.00 6.65 6.21 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 49 L 7.81 3.51 0.00 1.33 1.74 0.14 0.72 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 50 F 8.07 4.35 0.00 3.07 2.92 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 51 L 7.86 3.61 0.00 1.65 1.64 0.74 0.86 0.00 0.00 0.00 0.00 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7.81 119 L 9.35 4.19 0.00 1.74 1.65 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.16 4.03 0.00 2.29 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 2.54 2.54 0.00 121 N 7.80 4.43 0.00 2.83 2.88 0.00 0.00 6.65 7.38 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 0.00 122 K 7.96 4.09 0.00 1.75 1.95 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.48 7.81 123 Y 8.08 4.57 0.00 2.82 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 I 7.78 4.39 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 1.03 0.00 0.00 125 D 7.74 4.35 0.00 3.19 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 0.00 126 A 7.28 3.92 0.55 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 0.00 127 Y 7.65 3.83 0.00 3.24 3.26 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 0.00 128 H 8.19 4.52 0.00 3.44 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.22 3.53 2.24 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 0.99 0.00 0.00 1.03 0.00 0.00 130 I 7.83 3.80 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.00 0.95 0.00 0.00 131 F 8.23 4.80 0.00 3.25 3.04 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 0.00 132 K 8.82 4.22 0.00 1.92 1.93 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 E 8.86 4.08 0.00 2.32 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 0.00 2.30 2.36 0.00 134 G 8.23 3.28 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 0.00 135 N 8.36 4.81 0.00 3.08 2.95 0.00 0.00 6.99 6.25 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 0.00 136 L 7.66 4.15 0.00 1.81 1.70 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 137 N 7.68 4.80 0.00 2.41 2.66 0.00 0.00 6.88 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 0.00 138 G 7.58 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 0.00 139 E 7.44 3.42 0.00 1.16 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 2.06 1.86 0.00 140 W 6.68 4.44 0.00 3.25 3.33 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 0.00 141 S 8.80 4.83 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.72 4.43 1.80 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.70 0.72 0.00 0.00 143 N 8.91 4.46 0.00 2.80 2.93 0.00 0.00 6.24 8.06 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 0.00 144 D 7.59 4.65 0.00 2.87 2.84 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 0.00 145 V 7.49 3.44 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 1.26 0.00 0.00 0.99 0.00 0.00 146 N 8.36 4.22 0.00 2.77 2.89 0.00 0.00 6.87 7.77 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 0.00 147 A 7.90 3.91 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 0.00 148 V 7.73 3.44 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 0.10 0.00 0.00 0.64 0.00 0.00 149 S 8.70 4.39 0.00 4.12 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 0.00 150 K 8.01 4.01 0.00 2.03 1.90 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.66 7.81 151 I 8.07 3.68 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 1.03 0.00 0.00 152 A 8.24 3.52 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.40 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.17 4.45 0.00 2.91 2.94 0.00 0.00 6.93 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.16 3.86 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 0.00 156 V 7.71 3.09 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 0.89 0.00 0.00 0.94 0.00 0.00 157 N 8.41 4.49 0.00 3.34 3.08 0.00 0.00 7.17 7.44 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 0.00 158 G 7.95 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 0.00 0.00 0.00 159 I 7.19 3.68 1.72 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.41 0.79 0.00 0.00 160 V 7.39 3.56 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 0.48 0.00 0.00 0.52 0.00 0.00 161 T 7.44 3.94 3.17 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 0.00 0.00 0.95 0.00 0.00 162 F 7.34 5.03 0.00 3.08 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 0.00 163 T 7.61 4.72 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 1.28 0.00 0.00 164 H 8.11 4.58 0.00 3.20 3.31 0.00 5.96 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 7.01 4.66 0.00 2.05 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 2.21 2.36 0.00 166 Q 7.81 4.40 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.19 0.00 167 N 8.32 4.02 0.00 2.76 2.78 0.00 0.00 6.52 7.54 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 0.00 168 I 8.38 3.92 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 1.39 1.15 0.90 0.00 0.00 169 N 8.00 4.55 0.00 2.79 2.84 0.00 0.00 6.79 7.66 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 0.00 170 E 8.18 3.97 0.00 2.03 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 2.38 2.40 0.00 171 R 7.81 3.89 0.00 2.02 1.92 0.00 3.32 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 172 I 7.78 3.69 1.88 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 1.39 0.84 0.94 0.00 0.00 173 K 7.83 4.01 0.00 2.07 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 174 L 7.92 4.01 0.00 1.91 1.75 0.96 0.65 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 0.00 175 M 8.21 4.07 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 176 N 8.09 4.52 0.00 3.04 3.06 0.00 0.00 6.64 7.61 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 0.00 177 K 8.31 4.08 0.00 1.96 2.06 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.57 7.81 178 F 8.87 4.16 0.00 3.16 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 S 8.51 4.10 0.00 3.47 2.97 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 0.00 180 Q 8.08 4.38 0.00 2.45 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 181 I 7.71 3.67 1.95 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 1.44 0.91 0.93 0.00 0.00 182 F 8.41 3.96 0.00 2.37 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 0.00 183 L 8.15 3.36 0.00 1.86 1.82 1.31 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.25 4.51 0.00 2.80 3.00 0.00 0.00 7.20 7.54 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 0.00 185 G 8.30 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 7.04 3.96 0.00 1.48 1.38 0.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.86 4.36 0.00 3.89 3.82 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 * Residues marked with a * may have inaccurate shift predictions.