NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 L 4.4810 8.1693 120.6291 54.9028 43.1739 176.9904 22 T 4.1799 9.1669 114.5331 59.8973 71.2361 173.5704 23 P 4.1933 0.0000 0.0000 65.7591 31.6745 180.1168 24 A 4.0128 7.8913 119.1155 55.2074 18.4424 179.4252 25 E 3.9850 8.2367 117.1074 59.0862 29.4357 179.3644 26 L 3.9405 8.1585 120.9166 58.2203 42.1037 179.1207 27 I 3.6685 7.5146 119.8531 64.2476 37.1144 177.9242 28 E 3.9282 8.1407 120.1823 59.5859 29.4871 179.2418 29 R 3.9945 8.2005 117.9198 58.6952 30.0445 178.8886 30 L 3.7436 7.7360 120.4324 58.2961 42.2055 178.9605 31 E 4.3977 8.4213 118.6458 59.3044 29.3285 179.2936 32 Q 4.1523 8.0355 119.5212 59.1236 29.1262 178.0433 33 A 3.9876 8.0153 121.8839 54.6238 18.3278 179.1909 34 W 4.3536 8.4288 127.3087 61.1762 30.4124 178.1100 35 M 3.7325 8.2639 118.3295 58.3979 31.3733 178.5149 36 N 4.5424 8.3358 116.5760 56.5592 38.5090 177.3821 37 E 4.0507 8.3420 119.0045 59.1124 29.6076 179.0112 38 K 3.7504 7.5101 117.5269 59.0847 32.1131 178.4693 39 F 4.6853 7.3618 113.7287 57.0708 40.0190 176.4949 40 A 3.7959 7.7869 123.2044 51.3612 18.5582 176.2424 41 P 4.3376 0.0000 0.0000 63.3628 31.8875 175.4438 42 E 4.4760 6.9227 116.1462 53.7536 32.6338 175.0069 43 L 4.0444 8.2111 121.5147 54.9900 42.4554 176.7957 44 L 4.5140 8.1988 126.2260 53.2328 42.9811 176.3023 45 E 4.2303 8.4804 119.1513 56.6032 29.8646 177.4760 46 S 4.3658 8.5248 117.0578 58.4478 63.6840 174.5924 47 K 4.7153 8.3062 123.9278 53.6618 32.3237 174.6986 48 P 4.2898 0.0000 0.0000 65.8460 31.7584 178.1172 49 E 3.9932 8.1634 116.5331 59.4178 29.3454 179.3156 50 I 3.6680 7.6811 119.2069 64.3369 37.3474 178.1851 51 V 3.6221 7.8224 118.8823 66.3071 31.3465 177.8108 52 E 3.9780 8.2679 117.9252 59.7806 29.2616 179.2960 53 C 4.1695 8.2689 116.7120 62.7457 28.0838 176.3728 54 V 3.5727 8.1234 120.1703 66.2538 31.0350 177.9573 55 M 4.0381 8.1171 118.4163 58.3659 31.7875 178.6201 56 E 3.8562 8.1967 118.6244 59.5252 29.4288 179.2419 57 Q 4.0687 8.3398 118.3296 59.2169 28.7895 179.2823 58 L 4.0152 8.2671 120.1268 57.7656 41.4043 179.4677 59 E 3.9459 8.1583 118.0336 59.7497 29.5050 178.9340 60 H 4.3676 8.5263 115.3086 58.3448 28.8288 176.7514 61 M 4.2314 7.7265 119.6389 57.5734 32.3218 177.6480 62 E 4.1378 8.1757 117.5908 58.5308 29.5697 178.7397 63 E 4.2233 7.4887 116.9345 59.7770 30.3835 177.0208 64 N 4.5132 7.9601 113.4414 53.1045 40.1287 173.5393 *71 E 4.2971 8.2805 116.2960 57.4878 30.3488 176.4816 72 D 4.6836 8.5018 119.5530 56.4588 41.2376 177.9357 73 L 3.9781 7.6956 121.7243 58.0661 42.3441 178.5993 74 K 4.0021 7.9681 117.9583 59.5521 32.0056 179.6572 75 V 3.7512 7.5167 111.4811 64.4272 31.5131 178.8447 76 S 4.1569 8.0094 114.5986 61.5685 62.7310 176.8069 77 I 3.7640 7.7744 122.5820 64.5334 36.7484 178.2066 78 H 4.1956 8.2400 117.1628 58.9847 28.5341 177.8566 79 Q 4.0054 8.3115 119.8977 59.2079 28.5166 178.8133 80 M 4.0492 7.9931 119.5788 58.3173 31.9349 178.4376 81 E 3.9073 8.1165 119.1871 59.5340 29.8508 178.5969 82 M 4.0277 8.2856 118.9331 58.5974 31.9873 178.5968 83 E 4.0180 8.3462 118.5508 59.4276 29.4821 179.6540 84 R 3.9173 7.8563 117.9968 59.4154 30.1910 179.2713 85 I 3.6589 7.9386 119.7077 64.2316 37.0735 178.4858 86 R 3.8368 8.4847 120.0750 59.3596 29.7980 177.9039 87 Y 3.9308 8.1103 119.3979 60.6880 38.7494 178.2328 88 V 2.3601 7.1791 118.9469 65.3906 31.4657 177.7088 89 L 3.9032 7.5331 119.8158 58.2435 41.9812 179.0233 90 S 4.0002 7.8850 115.0168 61.6106 62.7252 176.6001 91 S 3.9573 7.7642 115.9614 61.4638 62.0728 175.4686 92 Y 4.4068 8.1911 122.3861 61.0273 38.5815 178.2107 93 L 3.6627 8.3116 120.1766 57.5765 41.6606 179.7912 94 R 3.7617 8.3359 118.4811 59.2659 30.0401 178.4352 95 C 3.9828 8.3193 118.8311 62.7378 31.4486 175.9336 96 R 3.8397 7.7323 119.3963 59.2084 29.5067 179.0474 97 L 3.7770 7.7351 118.8048 57.7808 41.4775 179.1798 98 M 3.9090 7.9771 118.1631 58.6232 32.1369 178.5375 99 K 3.9775 7.8640 118.1239 59.3631 32.1151 179.3988 100 I 3.7989 7.9500 120.2618 64.5678 36.8415 178.3814 101 E 3.1965 7.9994 118.1922 58.9272 29.2546 178.9528 102 K 3.9438 7.8550 118.7299 58.5400 32.3695 177.5801 103 F 5.0597 7.8505 116.7107 57.3469 39.8468 177.4661 104 F 4.2479 8.2855 120.1349 60.0525 37.5644 175.7499 105 P 4.1944 0.0000 0.0000 65.1013 31.0050 178.3741 106 H 4.4544 8.5823 115.7200 58.8733 28.9097 178.1790 107 V 3.7114 7.9200 113.7389 64.3222 31.3693 178.5500 108 L 4.1074 7.9302 118.9702 57.7732 41.5970 179.0642 109 E 4.0435 8.3191 118.9559 59.1196 29.3214 178.8088 110 K 3.9578 8.1309 119.1738 59.3636 32.4346 178.1971 111 E 4.0918 8.1961 119.4071 59.0483 29.3415 178.6529 112 K 4.0233 8.1714 118.9965 59.1481 32.3130 177.9450 113 T 4.4494 7.3973 112.8682 62.0534 68.9625 174.7216 114 R 4.0003 7.1147 122.7203 55.5397 30.8334 174.4946 115 P 4.4288 0.0000 0.0000 61.8797 32.1019 175.5641 116 E 4.1147 8.6778 122.2361 58.1032 30.1425 176.3309 117 G 4.3331 8.9510 112.4136 45.6730 0.0000 174.2254 118 E 3.9956 7.7398 119.5524 55.0687 30.1107 174.7681 119 P 4.2983 0.0000 0.0000 62.8273 32.1342 176.2704 120 S 4.4314 8.5261 117.2034 58.2461 63.1882 174.1156 121 S 4.8125 8.4993 120.2127 58.2774 62.9017 174.0950 122 L 4.8988 7.6167 119.6365 52.1947 45.6169 176.9504 123 S 4.5728 8.7749 117.9930 57.0562 65.5489 173.7952 124 P 4.3135 0.0000 0.0000 65.6139 30.9325 178.9492 125 E 4.0336 8.0986 117.2223 59.4417 29.4207 178.9957 126 E 4.0487 8.1044 118.2811 59.1472 29.3959 179.1057 127 L 4.0021 8.2029 120.3774 57.9938 42.1283 178.9349 128 A 4.0111 7.9194 120.5942 55.1292 18.3134 179.2909 129 F 4.0375 8.3517 119.0190 61.4402 39.4484 177.2286 130 A 4.0699 8.5976 120.6792 55.1783 18.2146 179.7034 131 R 3.9313 8.3632 116.9301 59.7095 30.2186 179.2403 132 E 3.9187 8.2985 118.2162 59.1585 29.3611 179.2565 133 F 3.6291 8.0819 120.9964 61.0936 39.3408 176.7907 134 M 3.8662 8.2154 117.5945 58.6265 32.1565 177.8514 135 A 3.9343 7.9956 120.7587 55.3215 18.6835 179.0655 136 N 4.1237 8.0031 115.3242 57.1318 38.9716 177.2460 137 T 3.7581 7.4697 117.0432 66.3009 68.4252 176.9187 138 E 3.9998 8.5007 121.2577 59.4242 29.5550 179.5486 139 S 4.0715 8.1377 114.3622 61.4162 62.9780 175.8944 140 Y 3.8933 7.8679 122.7503 60.5359 38.6295 178.1271 141 L 3.9272 8.0859 119.8906 57.4483 41.6762 179.4541 142 K 3.8616 8.2784 119.9138 59.7471 31.9846 178.7382 143 N 4.3846 7.8452 115.2495 55.8686 38.5035 177.1928 144 V 3.7405 7.3304 118.6193 64.5505 31.9984 176.1851 145 A 4.5577 7.4564 118.0286 53.7063 22.5635 177.6172 146 L 3.9780 8.1145 116.0755 57.8629 41.7438 180.1223 147 K 3.9992 8.1997 116.3411 59.5644 32.5578 177.2969 148 H 4.6144 7.7272 114.9115 56.1388 28.8085 174.8669 149 M 4.4976 7.4017 119.7765 52.7196 33.7638 174.0771 150 P 4.3557 0.0000 0.0000 62.3575 32.0746 175.7766 151 P 4.1574 0.0000 0.0000 65.6592 31.2513 176.9733 152 N 4.7442 8.0322 111.6638 52.8640 37.7496 175.0186 153 L 4.7309 7.9752 117.6297 54.9313 42.4928 177.2598 154 Q 4.2829 8.1210 117.6116 56.8105 29.1546 175.7397 155 K 4.4205 7.8392 117.9688 54.4127 33.4613 175.6134 156 V 4.1778 8.1514 123.5311 60.5362 33.4789 174.8696 157 D 4.4565 8.5696 127.1303 53.7769 41.7896 176.5034 158 L 4.0558 8.2249 127.9756 57.1352 41.4810 179.3291 159 F 4.3698 7.8545 117.2859 60.4840 39.0158 177.0667 160 R 4.2631 7.5241 116.7164 58.4536 30.1900 178.3971 161 A 4.2446 7.9669 119.9750 52.7082 18.6753 177.5163 162 V 4.2390 7.2085 117.3547 60.2305 32.8275 173.8991 163 P 4.4145 0.0000 0.0000 62.9465 31.7863 176.2056 164 K 4.2914 8.2592 120.7601 54.3627 33.4261 175.0326 165 P 3.9149 0.0000 0.0000 62.9148 31.4953 176.5514 166 D 4.6489 8.2622 121.8889 52.6676 40.3404 175.9755 167 L 4.2647 8.1588 126.5820 56.1225 42.9047 176.8650 168 D 4.5981 7.7764 118.8865 54.8648 40.6428 176.7036 169 S 4.8940 7.8708 114.1649 56.8884 65.6559 174.2425 170 Y 4.5453 8.7706 122.1982 58.2277 38.6043 175.3538 171 V 4.6482 8.7195 115.2859 59.9428 36.8887 174.3750 172 F 5.2708 8.4901 120.2684 56.4470 41.7458 174.7757 173 L 5.0596 8.7338 119.8614 54.9193 44.2819 173.9173 174 R 5.1538 8.7774 116.6546 54.4235 32.5451 174.6425 175 V 4.4364 8.8697 123.6644 62.4649 32.3826 176.2092 176 R 4.6869 8.9473 123.2920 56.1539 31.2688 175.8350 177 E 4.5790 7.9416 118.7453 54.3623 32.9503 175.1178 178 R 4.1433 8.8961 124.8285 57.4962 30.6953 175.4618 179 Q 4.7324 9.1507 123.6659 54.2034 32.9644 174.1125 180 E 5.0025 8.5428 120.4996 54.2649 33.3676 175.0170 181 N 4.0985 8.5680 116.0792 54.4938 36.7900 175.1377 182 I 4.1000 8.3870 119.3081 60.4311 39.2161 176.4729 183 L 4.6588 8.3341 129.5761 53.8903 42.9710 175.7151 184 V 3.7324 8.1989 128.0110 62.1526 32.7898 174.6076 185 E 4.4257 8.5001 127.6103 53.5134 30.1475 173.7839 186 P 4.5761 0.0000 0.0000 65.1456 32.1304 175.8471 187 D 4.7045 7.5936 122.0929 52.4231 39.3238 176.2997 188 T 4.2301 8.5710 107.6337 61.2082 69.6944 174.4937 189 D 4.5303 8.9486 124.0175 53.1615 40.5230 175.8621 190 E 4.1017 8.8439 129.3444 59.1599 29.6926 178.8402 191 Q 4.1881 8.1078 114.8792 58.1456 28.9974 176.8844 192 R 4.2630 7.8056 116.6548 57.2638 30.5566 176.5201 193 D 4.9318 7.5984 118.2929 55.0386 41.4797 175.3578 194 Y 4.9088 8.2619 117.8236 56.1601 41.7067 173.4321 195 V 4.9049 8.4992 120.6181 61.4985 33.7733 174.4636 196 I 4.9021 8.8934 119.2933 59.5876 41.6654 173.2387 197 D 5.3413 8.6832 121.0299 52.4623 44.2402 175.9454 198 L 4.5934 8.9043 121.9889 53.0682 43.7888 175.8100 199 E 4.5082 8.7002 124.1880 55.1806 31.1084 176.6489 200 K 4.0103 8.6034 124.5568 58.2705 32.5559 177.1235 201 G 3.9529 9.3775 115.0799 45.1632 0.0000 173.3559 202 S 4.6736 7.8677 115.0245 57.6747 65.3528 172.9879 203 Q 5.2770 8.4463 118.3411 54.6200 31.6195 174.7587 204 H 5.0610 9.5960 119.5283 53.9794 33.9919 171.9185 205 L 4.9100 8.1379 120.8489 53.5669 44.3683 175.1225 206 I 4.3838 8.2092 124.4760 60.0669 42.6607 173.5529 207 R 3.6267 7.9220 124.9267 55.8630 30.6719 176.9982 208 Y 4.0173 8.9858 125.1618 60.6808 38.9245 178.2799 209 K 3.6977 7.8401 119.2651 59.7968 32.3397 177.8645 210 T 3.8857 7.5876 114.4443 65.6002 68.5973 175.0990 211 I 4.2072 7.4282 112.1995 60.1490 38.3352 176.7883 212 A 3.3139 7.6331 124.8149 55.3177 17.8867 178.3908 213 P 4.1857 0.0000 0.0000 65.6851 31.4725 178.7307 214 L 4.0738 7.8850 117.6296 57.1236 41.3451 179.6757 215 V 3.7736 7.5129 118.0408 65.9207 31.4347 177.7570 216 A 4.0401 7.8400 120.7079 55.0222 18.3296 178.6040 217 S 4.2327 7.9742 108.9085 59.2565 63.5480 175.4325 218 G 3.9139 7.8133 109.2896 45.1248 0.0000 174.2094 219 A 4.3510 7.7197 122.0299 54.3298 19.3041 178.2453 220 V 4.9007 7.7544 106.1793 59.8174 36.3304 174.9849 221 Q 4.8186 8.7617 123.0516 54.2412 32.0259 174.6969 222 L 4.8276 9.4067 127.1445 54.6205 42.7468 177.2856 223 I 4.0206 7.9216 114.9731 61.0910 37.6888 174.9914 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 21 L 8.17 4.48 0.00 1.66 1.68 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.17 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 1.27 0.00 0.00 23 P 0.00 4.19 0.00 2.18 2.26 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 24 A 7.89 4.01 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 25 E 8.24 3.98 0.00 2.25 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 2.33 2.31 0.00 26 L 8.16 3.94 0.00 1.85 1.89 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.51 3.67 2.00 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 1.66 0.77 0.88 0.00 0.00 28 E 8.14 3.93 0.00 2.21 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 0.00 2.32 2.42 0.00 29 R 8.20 3.99 0.00 2.02 1.94 0.00 3.18 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 30 L 7.74 3.74 0.00 1.69 1.82 0.74 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.42 4.40 0.00 2.14 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 0.00 2.28 2.57 0.00 32 Q 8.04 4.15 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 33 A 8.02 3.99 1.03 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 34 W 8.43 4.35 0.00 3.19 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 8.26 3.73 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.84 0.00 36 N 8.34 4.54 0.00 3.02 2.97 0.00 0.00 7.07 6.98 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 37 E 8.34 4.05 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.09 0.00 38 K 7.51 3.75 0.00 1.22 0.74 0.00 0.85 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.08 1.12 7.81 39 F 7.36 4.69 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.79 3.80 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.34 0.00 2.15 2.03 0.00 2.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.53 0.00 42 E 6.92 4.48 0.00 1.75 1.72 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 2.01 2.18 0.00 43 L 8.21 4.04 0.00 1.67 1.64 0.92 1.06 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 44 L 8.20 4.51 0.00 1.95 1.69 1.07 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.48 4.23 0.00 2.00 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 2.35 2.35 0.00 46 S 8.52 4.37 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.31 4.72 0.00 1.91 1.74 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.42 7.81 48 P 0.00 4.29 0.00 2.17 2.14 0.00 3.63 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 2.14 2.22 0.00 49 E 8.16 3.99 0.00 2.02 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 2.41 2.42 0.00 50 I 7.68 3.67 2.02 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 1.52 0.73 0.86 0.00 0.00 51 V 7.82 3.62 2.12 0.00 0.00 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 1.13 0.00 0.00 52 E 8.27 3.98 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 53 C 8.27 4.17 0.00 3.18 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 54 V 8.12 3.57 2.19 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 1.09 0.00 0.00 0.93 0.00 0.00 55 M 8.12 4.04 0.00 2.06 2.23 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 2.61 2.81 0.00 56 E 8.20 3.86 0.00 2.22 2.02 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 E 8.28 4.30 0.00 2.02 1.88 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 2.30 2.29 0.00 72 D 8.50 4.68 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.70 3.98 0.00 1.68 1.65 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.97 4.00 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.54 7.81 75 V 7.52 3.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.04 0.00 0.00 76 S 8.01 4.16 0.00 4.04 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.77 3.76 1.92 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 1.50 1.33 0.85 0.00 0.00 78 H 8.24 4.20 0.00 3.34 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.18 2.36 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 0.40 0.00 0.00 0.34 0.00 0.00 89 L 7.53 3.90 0.00 1.75 1.71 0.99 0.99 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 90 S 7.88 4.00 0.00 3.87 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 91 S 7.76 3.96 0.00 3.19 3.59 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 92 Y 8.19 4.41 0.00 3.16 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 93 L 8.31 3.66 0.00 1.70 1.54 0.87 0.71 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 94 R 8.34 3.76 0.00 1.94 1.92 0.00 3.11 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 95 C 8.32 3.98 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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137 T 7.47 3.76 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 1.09 0.00 0.00 138 E 8.50 4.00 0.00 2.02 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 2.36 2.50 0.00 139 S 8.14 4.07 0.00 4.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.87 3.89 0.00 3.15 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 0.00 141 L 8.09 3.93 0.00 1.90 1.72 1.00 0.68 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 0.00 142 K 8.28 3.86 0.00 1.82 1.93 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 143 N 7.85 4.38 0.00 2.65 2.75 0.00 0.00 7.05 6.99 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 0.00 144 V 7.33 3.74 1.58 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 0.66 0.00 0.00 0.22 0.00 0.00 145 A 7.46 4.56 1.22 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 0.00 0.00 146 L 8.11 3.98 0.00 1.69 1.89 0.97 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.20 4.00 0.00 1.71 1.89 0.00 1.47 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.00 7.81 148 H 7.73 4.61 0.00 3.33 3.33 0.00 5.64 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 0.00 149 M 7.40 4.50 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.49 0.00 150 P 0.00 4.36 0.00 2.17 1.99 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 151 P 0.00 4.16 0.00 2.03 2.15 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 152 N 8.03 4.74 0.00 2.82 2.91 0.00 0.00 5.80 7.79 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 0.00 153 L 7.98 4.73 0.00 1.61 1.67 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.12 4.28 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.73 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 155 K 7.84 4.42 0.00 1.72 1.73 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.33 7.81 156 V 8.15 4.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 157 D 8.57 4.46 0.00 2.85 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 0.00 158 L 8.22 4.06 0.00 1.40 1.42 1.05 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 159 F 7.85 4.37 0.00 3.32 3.02 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 0.00 0.00 0.00 160 R 7.52 4.26 0.00 2.14 2.03 0.00 3.21 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.04 0.00 161 A 7.97 4.24 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 0.00 162 V 7.21 4.24 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 0.81 0.00 0.00 0.75 0.00 0.00 163 P 0.00 4.41 0.00 2.20 2.06 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 164 K 8.26 4.29 0.00 1.64 1.52 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.83 1.31 7.81 165 P 0.00 3.91 0.00 1.66 1.64 0.00 3.26 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 166 D 8.26 4.65 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.16 4.26 0.00 1.67 1.84 0.93 1.14 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 0.00 168 D 7.78 4.60 0.00 2.75 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 0.00 169 S 7.87 4.89 0.00 3.75 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 0.00 170 Y 8.77 4.55 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 0.00 171 V 8.72 4.65 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 0.93 0.00 0.00 1.02 0.00 0.00 172 F 8.49 5.27 0.00 3.01 2.81 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 0.00 173 L 8.73 5.06 0.00 1.87 1.74 0.94 0.69 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 0.00 174 R 8.78 5.15 0.00 1.89 2.05 0.00 2.78 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 175 V 8.87 4.44 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 176 R 8.95 4.69 0.00 1.83 2.01 0.00 3.09 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 177 E 7.94 4.58 0.00 1.80 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 2.20 2.29 0.00 178 R 8.90 4.14 0.00 1.82 1.87 0.00 3.18 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 179 Q 9.15 4.73 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.43 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 180 E 8.54 5.00 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 181 N 8.57 4.10 0.00 2.82 2.83 0.00 0.00 6.96 7.06 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 0.00 182 I 8.39 4.10 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.78 0.81 0.00 0.00 183 L 8.33 4.66 0.00 1.55 1.49 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 184 V 8.20 3.73 0.71 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 0.63 0.00 0.00 0.58 0.00 0.00 185 E 8.50 4.43 0.00 1.76 1.80 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 2.31 2.15 0.00 186 P 0.00 4.58 0.00 2.24 2.32 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 187 D 7.59 4.70 0.00 2.74 2.45 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 0.00 188 T 8.57 4.23 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 0.00 189 D 8.95 4.53 0.00 2.74 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 0.00 190 E 8.84 4.10 0.00 2.03 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 2.38 2.31 0.00 191 Q 8.11 4.19 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 192 R 7.81 4.26 0.00 2.03 2.10 0.00 3.20 0.00 0.00 3.56 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 193 D 7.60 4.93 0.00 2.66 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 0.00 194 Y 8.26 4.91 0.00 3.05 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 0.00 195 V 8.50 4.90 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 0.80 0.00 0.00 0.92 0.00 0.00 196 I 8.89 4.90 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 1.08 0.00 0.00 197 D 8.68 5.34 0.00 2.55 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 0.00 198 L 8.90 4.59 0.00 1.47 1.50 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 199 E 8.70 4.51 0.00 1.93 1.87 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 2.42 2.27 0.00 200 K 8.60 4.01 0.00 1.72 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 201 G 9.38 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 0.00 0.00 0.00 202 S 7.87 4.67 0.00 3.96 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 0.00 203 Q 8.45 5.28 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 204 H 9.60 5.06 0.00 2.98 3.15 0.00 5.55 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 8.14 4.91 0.00 1.23 1.41 0.21 0.71 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 0.00 206 I 8.21 4.38 1.85 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 1.09 0.85 0.84 0.00 0.00 207 R 7.92 3.63 0.00 1.58 1.56 0.00 3.01 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.66 0.00 208 Y 8.99 4.02 0.00 3.00 3.14 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 0.00 0.00 0.00 0.00 209 K 7.84 3.70 0.00 1.87 1.75 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.38 7.81 210 T 7.59 3.89 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 211 I 7.43 4.21 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.71 0.79 0.00 0.00 212 A 7.63 3.31 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 P 0.00 4.19 0.00 2.09 2.06 0.00 3.38 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 214 L 7.88 4.07 0.00 1.75 1.67 0.85 0.61 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 0.00 215 V 7.51 3.77 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.98 0.00 0.00 216 A 7.84 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 7.97 4.23 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 0.00 218 G 7.81 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 A 7.72 4.35 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 V 7.75 4.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.94 0.00 0.00 221 Q 8.76 4.82 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 222 L 9.41 4.83 0.00 1.75 1.69 1.17 0.83 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 0.00 223 I 7.92 4.02 1.74 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 1.18 0.51 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.