NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5775 8.2227 120.1913 54.1114 43.2461 177.1221 7 N 4.2158 8.2898 116.8940 56.0653 39.4019 172.6238 8 E 4.1405 9.1356 119.0009 59.5098 30.6964 179.8114 9 K 3.8818 7.6581 115.4917 56.6892 31.6330 179.0150 *11 A 4.1864 8.2366 123.3306 52.2523 20.3530 179.8604 12 A 4.0183 7.9362 117.5648 55.1140 18.3185 179.6058 13 L 3.9219 8.2307 119.1691 58.4376 42.1006 179.1578 14 E 3.9953 8.1693 117.8565 59.0402 29.3495 178.9096 15 A 3.8901 7.9900 120.9981 55.1116 18.4121 179.7398 16 K 3.9017 7.7334 116.8299 59.6722 32.1269 179.4999 17 I 3.6749 7.7295 119.8982 64.9867 37.0062 177.6881 18 C 3.9300 8.2242 117.3389 63.3946 27.9307 175.6608 19 H 4.1333 8.4586 117.4306 59.4000 28.4431 177.6978 20 Q 3.7665 8.2718 121.0941 59.2008 28.9002 178.2821 21 I 3.8395 7.6915 120.8935 64.3179 36.9260 178.3036 22 E 4.0647 8.2485 118.9285 59.2240 29.4405 178.3935 23 Y 4.2170 8.0534 119.7333 61.0073 38.6894 177.5986 24 Y 4.6049 7.5862 116.0850 61.2877 38.1320 178.1664 25 F 4.6661 8.1888 115.1024 57.4345 39.6525 176.7265 26 G 3.9684 8.0090 107.9643 43.7569 0.0000 174.3121 27 D 4.2527 8.4939 118.7328 56.2632 40.8820 177.4916 28 F 4.7140 7.8760 115.2230 57.2402 40.2727 175.1940 29 N 4.7479 7.7143 117.9536 54.9587 41.1813 175.6308 30 L 3.8565 7.9204 119.8294 57.7511 42.0922 177.4039 31 P 4.3081 0.0000 0.0000 64.5921 31.3533 177.2022 32 R 4.5111 7.7382 113.1870 55.6431 29.5669 176.1572 33 D 4.7679 7.7511 120.5384 52.0871 41.1571 176.1156 34 K 3.8842 8.4807 125.8294 59.1115 31.8738 177.6471 35 F 4.1625 8.1291 120.3111 61.2856 39.5124 176.7216 36 L 3.8118 8.1283 119.5648 57.8198 41.6198 178.8878 37 K 3.8635 8.1082 118.1760 59.3927 32.3362 178.7080 38 E 4.0475 8.0233 118.6368 59.7441 29.1342 179.4384 39 Q 3.9413 7.3827 116.7779 59.0870 28.8724 178.9694 40 I 3.7169 7.6635 119.4921 63.2307 36.9119 177.9701 41 K 4.2152 7.6901 118.5013 58.2022 32.2899 178.1103 42 L 4.1182 7.3849 118.6387 56.7186 41.7293 176.1146 43 D 5.1266 7.6564 115.7721 52.0611 44.5905 175.7595 44 E 4.2422 8.6743 118.9559 56.4857 28.2353 178.1840 45 G 3.8639 7.7094 107.1278 44.8954 0.0000 173.8225 46 W 4.6719 7.6885 119.7032 56.8601 29.7312 175.7169 47 V 4.5300 9.3172 125.1005 60.1684 33.9909 173.1198 48 P 4.7096 0.0000 0.0000 62.6774 31.8760 177.4959 49 L 3.7412 8.4415 123.7620 57.7847 41.5822 178.8051 50 E 4.4475 8.2487 116.9164 59.0876 29.7370 177.2738 51 I 4.4972 7.6694 119.5422 61.3584 37.5962 177.1349 *53 I 4.3242 7.7550 112.9452 60.4147 39.1075 176.2689 54 K 4.2272 8.1390 120.2427 58.3938 32.3602 177.7492 55 F 4.2523 8.5497 119.4896 56.9313 39.9046 175.5210 56 N 4.3840 8.9349 121.7485 56.6175 38.3253 177.6503 57 R 4.0001 8.1916 118.8188 59.1962 30.2493 178.5163 58 L 4.0516 8.1897 119.7594 58.3998 41.8436 178.6011 59 N 4.4066 8.4120 116.2515 56.7640 38.9387 176.8103 60 R 4.1393 7.7927 118.4510 58.9017 30.2028 178.6993 61 L 4.1398 7.4910 118.2406 56.4390 42.1705 177.1022 62 T 4.5994 7.7541 111.0983 61.4699 70.4716 173.1599 63 T 4.5309 8.5306 115.9513 61.4288 69.3635 173.8145 64 D 4.7166 8.2725 123.3448 53.2603 42.2011 176.4675 65 F 4.4052 8.9644 126.4273 61.0920 39.0811 177.1025 66 N 4.3475 8.3551 115.7271 56.6476 38.3417 177.6464 67 V 3.6827 8.0027 118.8899 65.7343 31.6227 178.1515 68 I 3.7245 7.5046 119.5844 64.2503 37.1762 178.2767 69 V 3.5550 7.8870 119.1701 66.1901 31.0847 177.7069 70 E 3.9448 8.0764 117.5123 58.9219 29.6500 178.2836 71 A 4.1249 7.9760 120.9374 55.4127 18.4284 179.7737 72 L 4.0147 8.1306 117.4622 57.5613 41.4079 179.8410 73 S 4.1535 7.9071 113.5740 60.5165 62.9173 175.1310 74 K 4.3774 7.4221 118.8721 55.8345 32.4653 176.5170 75 S 4.2302 7.5550 114.8815 58.3180 62.6862 173.9704 76 K 4.3492 8.4647 124.2511 56.4584 32.5644 177.2102 77 A 4.1742 7.8971 121.9723 52.5091 19.1157 177.2543 78 E 3.7350 7.9371 114.0189 57.6729 27.3176 174.5607 79 L 4.3935 7.5886 116.1301 55.4307 43.6613 175.4746 *81 E 4.4152 7.9978 116.1891 56.1396 31.3086 174.4617 82 I 5.1752 8.2321 121.7052 59.4223 40.1839 175.9017 83 S 3.7349 8.5782 120.9146 57.6732 63.8075 175.1210 84 E 3.8764 8.5345 120.3656 59.2582 29.2146 177.9957 85 D 4.5046 7.7450 114.8155 52.6359 40.0477 176.4864 86 K 3.8642 7.6344 118.1081 58.0656 29.9405 176.4590 87 T 4.4910 7.5979 116.3178 63.9621 70.3000 174.5936 88 K 5.1713 7.6423 119.8205 54.7027 37.0930 175.0446 89 I 5.5662 8.9654 115.5219 59.6660 41.3177 174.1025 90 R 4.5372 8.1263 118.3943 54.6338 32.7614 174.3413 91 R 3.9863 8.1274 120.6811 55.7267 30.8682 175.8005 92 S 4.0170 8.9983 121.4730 58.3362 62.7526 173.6747 93 P 4.3027 0.0000 0.0000 65.1467 31.3052 177.7214 94 S 4.2125 7.8007 114.6619 60.5771 62.9201 174.7792 95 K 4.4040 7.4731 120.7154 53.8010 30.9111 173.9996 96 P 4.4894 0.0000 0.0000 61.5385 32.6589 176.9875 97 L 4.0671 8.0591 119.5791 53.4167 42.1272 175.6422 98 P 4.1480 0.0000 0.0000 62.3229 31.7093 176.1108 99 E 3.8574 8.3872 121.2743 56.7437 29.8826 177.9042 100 V 3.8117 7.9444 123.6985 61.9776 30.3013 175.7412 101 T 4.5198 7.6897 116.8226 59.5563 72.3910 175.2371 102 D 4.3766 8.4426 119.9212 57.5847 40.7419 178.6949 103 E 3.9589 8.2384 118.4867 59.6291 29.4440 178.5451 104 Y 4.0888 7.9032 118.8931 60.9419 38.8051 178.5531 105 K 3.7847 8.2285 119.2051 59.3122 32.1628 179.1828 106 N 4.2891 8.6296 117.3370 56.2905 38.2119 176.9341 107 D 4.2907 8.0108 118.6190 57.2207 41.6964 178.1455 108 V 3.7036 7.6890 118.9373 65.7396 31.4896 177.7370 109 K 3.8862 8.1753 119.5299 59.8490 31.8746 178.4617 110 N 4.4485 8.1742 114.9502 55.2118 38.5577 175.7847 111 R 4.9409 7.8006 115.8037 55.9606 31.1084 175.2201 112 S 5.3988 8.4860 116.2219 57.5092 65.4185 173.3548 113 V 4.8560 9.1731 123.7788 61.3081 35.0381 173.3019 114 Y 5.2526 9.4476 128.9213 56.4352 40.7778 174.1727 115 I 4.8116 7.9986 126.6035 59.2862 41.1261 174.1801 116 K 4.4085 9.3911 128.2948 53.8934 35.0792 174.8251 117 G 2.8267 7.7179 119.0381 45.0654 0.0000 173.5070 118 F 4.0133 7.2946 120.2614 55.4965 40.0873 173.6494 119 P 4.5687 0.0000 0.0000 62.7341 31.8191 177.5276 120 T 4.2020 8.4193 109.6885 63.8296 69.0147 174.7179 121 D 4.7058 8.0027 120.1700 52.8281 39.9134 176.2610 122 A 4.1354 7.8860 124.0643 52.7213 18.9254 178.4161 123 T 4.2674 8.2456 113.2548 59.8302 72.2673 175.9942 124 L 3.6666 7.9753 121.8446 58.2968 41.9418 178.3986 125 D 4.3242 7.9466 118.2644 57.4252 40.8035 178.2321 126 D 4.4502 7.8925 118.8933 57.6451 40.8822 179.1514 127 I 3.6526 7.5458 120.0401 64.1303 36.7969 178.5724 128 K 3.8574 8.1379 118.6100 59.4887 32.0919 178.4008 129 E 4.2533 8.3565 119.5820 59.3210 29.2664 178.7828 130 W 4.1683 8.2074 127.0087 60.3294 31.2178 177.2609 131 L 4.0876 8.3360 116.8771 55.2838 40.9621 178.5252 132 E 3.9082 7.5344 119.7160 59.3435 29.5339 177.6270 133 D 4.7237 7.5760 114.7082 54.2551 40.9174 176.9508 134 K 4.3724 7.6572 117.1885 55.6890 32.4907 175.7818 135 G 4.2025 8.0697 105.5295 43.4176 0.0000 173.6604 136 Q 4.0751 8.8625 121.7448 55.9794 30.0076 174.7041 137 V 4.4018 8.2353 126.5559 61.2450 32.8907 175.0583 138 L 4.5533 8.7779 127.0803 55.7530 43.3345 176.3010 139 N 4.9142 7.3699 115.5307 52.3509 42.4795 173.1057 140 I 4.8187 8.2233 125.3888 59.8661 40.1117 174.2908 141 Q 4.8461 8.9084 130.8456 54.3941 32.7449 173.4163 *143 R 4.4879 8.3668 115.0991 56.5353 31.6561 175.2866 144 R 5.0895 8.5192 121.6100 54.1268 33.9596 175.2694 145 T 4.1798 8.6681 111.6434 61.0354 69.6663 175.2540 146 L 3.8590 8.5757 121.6617 58.5397 41.4409 178.4923 147 H 4.5874 7.9615 111.3847 55.9153 28.8580 175.9083 148 K 4.0803 8.2907 118.3120 56.1505 30.2036 176.3239 149 A 4.1874 7.6579 123.2060 51.7197 18.8568 177.4172 150 F 4.9045 8.6527 124.9386 58.0024 40.0507 175.7153 151 K 3.7734 8.2307 127.4879 57.4222 32.2928 178.3311 152 G 3.2454 5.3800 106.1423 45.7283 0.0000 172.3853 153 S 5.1669 6.8140 112.4887 56.1451 66.1176 173.0009 154 I 4.7993 8.5167 113.6897 59.4919 41.6920 173.5047 155 F 5.6123 8.8296 121.3799 55.8593 41.7543 174.9490 156 V 4.7217 9.1887 122.9603 60.9945 34.8992 174.1021 157 V 4.6449 8.1020 127.4395 61.3051 32.9866 175.1093 158 F 4.8874 8.8912 127.2958 56.4822 39.7072 175.7216 159 D 4.7662 8.7767 121.2738 56.5626 39.8081 176.8116 160 S 4.7544 7.9365 111.0724 55.5297 66.1154 174.8507 161 I 3.8264 8.5401 122.2728 64.5034 36.7661 178.1790 162 E 3.9987 8.3690 119.3364 59.8489 29.4517 179.7110 163 S 4.1031 7.9517 113.6191 61.1126 63.0705 176.2311 164 A 2.8025 7.6600 123.8472 54.4870 18.1505 179.6806 165 K 4.0931 8.7698 117.3308 59.5561 32.0573 179.0283 166 K 3.7540 7.9060 119.8429 59.7689 31.7809 178.1800 167 F 4.0590 7.5989 118.7209 61.4659 39.4252 177.1415 168 V 3.4358 7.8501 116.4363 65.2206 31.3140 176.8732 169 E 4.4588 7.8227 116.2327 55.8427 29.9458 176.4241 170 T 3.8561 6.9465 116.8653 62.8346 69.3605 171.2554 171 P 3.8886 0.0000 0.0000 65.3710 30.8200 177.9510 172 G 3.9721 8.4726 113.1976 44.4274 0.0000 172.0542 173 Q 4.5002 7.8820 123.5145 55.2455 30.3244 175.4599 174 K 4.9067 8.6081 120.0173 54.7680 36.1985 175.4732 175 Y 4.3402 8.4581 122.7392 56.0471 40.6308 178.5945 176 K 3.6299 8.8112 129.1833 57.4462 31.8075 176.4469 177 E 4.0878 9.6399 123.2744 60.1437 30.1959 177.1608 178 T 4.3863 7.8480 109.1831 60.2249 70.2056 173.8751 179 D 4.6971 8.4338 124.2108 54.3351 41.6133 175.4901 180 L 4.5936 7.8105 122.9851 52.9001 43.6591 176.0241 181 L 4.2181 8.3387 126.0345 54.8000 43.1568 175.3963 182 I 4.9730 8.3625 127.1348 59.5784 39.6537 175.0757 183 L 4.9804 9.4852 126.5610 52.5501 46.3820 176.3863 184 F 4.3685 9.0289 120.8485 57.5759 39.8115 176.5897 185 K 4.1037 9.2567 125.8238 59.5275 32.3878 178.5766 186 D 4.3593 8.4852 117.9242 57.4897 40.6788 177.2269 187 D 4.4366 8.2028 115.9987 54.9562 41.3303 175.6370 188 Y 4.3799 7.0967 120.2412 55.8585 40.1600 175.2312 189 F 4.1687 7.1726 123.1396 57.5869 39.9493 174.7772 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 D 8.22 4.58 0.00 2.73 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 7 N 8.29 4.22 0.00 2.80 2.84 0.00 0.00 7.01 6.77 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 8 E 9.14 4.14 0.00 2.07 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 2.40 2.33 0.00 9 K 7.66 3.88 0.00 2.17 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 *11 A 8.24 4.19 1.39 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 0.00 0.00 0.00 12 A 7.94 4.02 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 13 L 8.23 3.92 0.00 1.87 1.68 0.97 1.29 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 14 E 8.17 4.00 0.00 2.17 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 2.40 2.38 0.00 15 A 7.99 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 16 K 7.73 3.90 0.00 1.99 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.66 7.81 17 I 7.73 3.67 2.02 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 1.54 0.71 0.91 0.00 0.00 18 C 8.22 3.93 0.00 3.01 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 19 H 8.46 4.13 0.00 3.15 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.27 3.77 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.27 1.86 0.00 21 I 7.69 3.84 1.95 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 1.63 0.47 0.92 0.00 0.00 22 E 8.25 4.06 0.00 2.04 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 2.32 2.35 0.00 23 Y 8.05 4.22 0.00 3.17 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 24 Y 7.59 4.60 0.00 3.21 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 25 F 8.19 4.67 0.00 2.92 3.01 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 26 G 8.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.49 4.25 0.00 2.13 2.23 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 28 F 7.88 4.71 0.00 3.10 3.19 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 0.00 29 N 7.71 4.75 0.00 2.09 2.65 0.00 0.00 6.78 6.66 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 30 L 7.92 3.86 0.00 1.74 1.69 0.74 0.99 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 31 P 0.00 4.31 0.00 2.03 2.04 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 32 R 7.74 4.51 0.00 1.97 2.01 0.00 3.08 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 33 D 7.75 4.77 0.00 2.93 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 34 K 8.48 3.88 0.00 1.87 1.83 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.51 7.81 35 F 8.13 4.16 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.13 3.81 0.00 2.00 1.54 0.45 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.11 3.86 0.00 1.94 1.82 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.42 7.81 38 E 8.02 4.05 0.00 2.04 1.91 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 2.31 2.44 0.00 39 Q 7.38 3.94 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 40 I 7.66 3.72 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.89 0.89 0.00 0.00 41 K 7.69 4.22 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.64 7.81 42 L 7.38 4.12 0.00 1.52 1.74 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.66 5.13 0.00 3.01 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.67 4.24 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 45 G 7.71 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 46 W 7.69 4.67 0.00 3.20 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 47 V 9.32 4.53 2.32 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 1.11 0.00 0.00 1.17 0.00 0.00 48 P 0.00 4.71 0.00 2.15 1.99 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 49 L 8.44 3.74 0.00 0.27 0.33 0.60 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.25 4.45 0.00 2.10 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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 60 R 7.79 4.14 0.00 1.87 2.00 0.00 3.25 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 61 L 7.49 4.14 0.00 1.78 1.75 0.93 0.78 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 62 T 7.75 4.60 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 63 T 8.53 4.53 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 1.28 0.00 0.00 64 D 8.27 4.72 0.00 2.77 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 65 F 8.96 4.41 0.00 3.03 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 66 N 8.36 4.35 0.00 2.89 2.92 0.00 0.00 6.73 7.49 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 67 V 8.00 3.68 2.26 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 1.10 0.00 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 0.00 111 R 7.80 4.94 0.00 2.07 2.30 0.00 3.06 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 112 S 8.49 5.40 0.00 3.98 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 0.00 113 V 9.17 4.86 2.40 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 1.25 0.00 0.00 0.89 0.00 0.00 114 Y 9.45 5.25 0.00 3.19 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 I 8.00 4.81 1.98 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 1.48 0.68 0.77 0.00 0.00 116 K 9.39 4.41 0.00 1.14 1.32 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.12 1.26 7.81 117 G 7.72 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 0.00 0.00 0.00 118 F 7.29 4.01 0.00 3.20 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 127 I 7.55 3.65 1.66 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.26 0.53 0.00 0.00 128 K 8.14 3.86 0.00 1.75 1.81 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.56 7.81 129 E 8.36 4.25 0.00 2.14 2.23 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 2.36 2.35 0.00 130 W 8.21 4.17 0.00 3.71 3.65 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 0.00 0.00 0.00 0.00 131 L 8.34 4.09 0.00 1.72 1.57 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 132 E 7.53 3.91 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 133 D 7.58 4.72 0.00 2.55 2.60 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 0.00 134 K 7.66 4.37 0.00 1.73 1.95 0.00 1.18 0.00 0.00 1.85 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.02 7.81 135 G 8.07 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 0.00 0.00 0.00 0.00 136 Q 8.86 4.08 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 137 V 8.24 4.40 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 0.53 0.00 0.00 0.24 0.00 0.00 138 L 8.78 4.55 0.00 1.22 1.56 1.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.37 4.91 0.00 2.42 2.23 0.00 0.00 7.00 7.98 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 0.00 140 I 8.22 4.82 1.69 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.59 0.72 0.00 0.00 141 Q 8.91 4.85 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 *143 R 8.37 4.49 0.00 1.81 1.83 0.00 2.21 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 144 R 8.52 5.09 0.00 1.80 1.83 0.00 3.26 0.00 0.00 3.47 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 145 T 8.67 4.18 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 0.00 146 L 8.58 3.86 0.00 1.52 1.66 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 147 H 7.96 4.59 0.00 3.17 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.29 4.08 0.00 1.92 2.13 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.38 7.81 149 A 7.66 4.19 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 0.00 150 F 8.65 4.90 0.00 2.83 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 0.00 151 K 8.23 3.77 0.00 1.57 1.63 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.29 7.81 152 G 5.38 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 6.81 5.17 0.00 3.27 3.44 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 0.00 154 I 8.52 4.80 1.85 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.83 0.00 0.00 155 F 8.83 5.61 0.00 3.08 2.89 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 0.00 0.00 0.00 156 V 9.19 4.72 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 0.05 0.00 0.00 0.79 0.00 0.00 157 V 8.10 4.64 1.44 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 0.69 0.00 0.00 0.71 0.00 0.00 158 F 8.89 4.89 0.00 3.12 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 0.00 159 D 8.78 4.77 0.00 2.77 2.88 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 0.00 160 S 7.94 4.75 0.00 4.24 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 0.00 161 I 8.54 3.83 1.90 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 1.69 0.83 0.93 0.00 0.00 162 E 8.37 4.00 0.00 2.07 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 2.43 2.48 0.00 163 S 7.95 4.10 0.00 4.03 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 0.00 164 A 7.66 2.80 1.44 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 0.00 0.00 0.00 165 K 8.77 4.09 0.00 1.91 1.96 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.75 7.81 166 K 7.91 3.75 0.00 1.94 1.96 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 167 F 7.60 4.06 0.00 2.84 2.74 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 0.00 168 V 7.85 3.44 1.90 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 0.85 0.00 0.00 0.32 0.00 0.00 169 E 7.82 4.46 0.00 1.98 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 2.34 2.55 0.00 170 T 6.95 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 0.00 171 P 0.00 3.89 0.00 2.01 1.88 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 172 G 8.47 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 7.88 4.50 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 174 K 8.61 4.91 0.00 1.76 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.41 7.81 175 Y 8.46 4.34 0.00 2.36 2.52 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 0.00 0.00 0.00 0.00 176 K 8.81 3.63 0.00 1.84 1.21 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.07 0.52 7.81 177 E 9.64 4.09 0.00 1.98 2.02 0.00 0.00 0.00 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 2.31 0.00 178 T 7.85 4.39 4.17 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 1.20 0.00 0.00 179 D 8.43 4.70 0.00 2.65 2.60 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 0.00 180 L 7.81 4.59 0.00 1.38 1.30 0.42 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 181 L 8.34 4.22 0.00 1.78 1.50 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.36 4.97 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.81 0.00 0.00 183 L 9.49 4.98 0.00 1.76 1.66 1.13 1.04 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 0.00 184 F 9.03 4.37 0.00 3.25 3.20 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 0.00 185 K 9.26 4.10 0.00 1.99 1.88 0.00 0.98 0.00 0.00 1.43 0.00 0.00 2.61 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.38 1.47 7.81 186 D 8.49 4.36 0.00 2.70 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 0.00 187 D 8.20 4.44 0.00 2.94 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 0.00 188 Y 7.10 4.38 0.00 2.56 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 0.00 189 F 7.17 4.17 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.