NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 K 4.6526 8.1727 122.0659 56.4480 33.9689 173.9538 10 V 4.8556 9.1005 127.6874 60.7050 35.0497 172.4848 11 I 5.0211 9.6703 129.9127 59.6181 40.4391 173.8637 12 L 4.9518 9.5418 128.7011 53.3637 43.5465 175.4945 13 I 4.9850 8.8073 125.8995 60.2424 39.1855 174.9596 14 T 5.0335 9.5705 120.7422 59.7136 71.3327 172.6892 15 G 4.6868 8.2411 115.1095 46.2704 0.0000 172.5848 16 M 4.4761 7.9532 121.0475 53.8585 32.8532 174.3797 17 P 4.3987 0.0000 0.0000 64.3858 31.7910 177.1536 18 G 3.9586 9.0007 110.5815 45.7554 0.0000 174.3265 19 S 4.0817 7.8121 114.0566 58.9015 63.6016 175.4254 20 G 3.8444 8.2755 109.4967 46.1910 0.0000 175.3126 21 K 4.2233 7.7514 121.3221 59.8753 32.2381 179.0614 22 S 4.4194 8.1789 114.8542 61.1781 63.0659 176.0665 23 E 4.2378 8.4048 122.6535 59.3610 29.1962 179.0234 24 F 4.4383 8.4996 120.1539 61.1350 39.6004 176.7987 25 A 3.7186 7.9220 120.2560 55.0107 18.3022 179.4171 26 K 3.8424 8.5668 118.3539 59.8222 31.8313 178.9677 27 L 4.0619 7.9410 118.9484 57.7125 41.4707 179.5568 28 L 3.9640 7.5962 118.6314 57.2848 41.6341 179.1824 29 K 3.8094 7.9396 118.5422 59.8718 31.8251 179.1487 30 E 4.0969 7.9789 119.2251 59.6599 29.4483 179.3861 31 R 4.2979 7.2761 117.0475 58.6252 29.6872 180.3791 32 G 4.1254 7.7218 106.1895 45.8580 0.0000 173.7821 33 A 4.3147 7.5612 120.9450 51.1203 19.6271 177.9246 34 K 4.0227 8.5528 122.6972 56.1119 33.2422 175.8269 35 V 4.6258 8.2535 127.4839 61.0092 33.9227 174.4606 36 I 4.4480 8.5317 128.6883 59.3972 40.3073 174.9737 37 V 4.2244 8.3661 127.5104 62.0989 32.1195 176.4306 38 M 4.2827 9.0141 128.6154 58.5666 31.6932 178.9839 39 S 4.2611 8.1072 114.0350 61.3682 63.3662 176.0703 40 D 4.3620 8.1529 122.1803 57.0838 40.6674 178.7169 41 V 3.6280 7.7327 118.2461 66.1396 31.5570 178.1958 42 V 3.8037 7.9013 117.9658 66.2848 31.3218 178.1625 43 R 3.9905 8.4863 118.0625 59.0456 29.9198 179.1848 44 K 4.0032 8.2906 118.3562 59.6815 32.1048 179.5366 45 R 4.1528 8.0293 117.7922 59.3337 29.8908 178.5285 46 Y 2.6642 8.2538 119.8013 60.3549 38.6074 178.3192 47 S 3.9165 7.9023 113.5976 61.2184 62.9254 175.9894 48 I 4.0661 6.9568 121.0587 62.7795 37.2833 176.3834 49 E 4.5458 7.7196 114.6213 55.5737 31.0347 176.0001 50 A 3.8068 7.3700 125.5952 51.9629 19.4782 178.4287 *54 E 4.1584 8.4527 114.5753 56.8312 29.9535 172.9680 55 R 4.4868 8.1900 127.2001 56.7434 31.8587 175.3572 56 L 4.0618 8.2619 121.5273 60.1513 42.3532 179.4096 57 M 4.2956 7.9977 119.9278 59.6440 31.2971 180.3580 58 D 4.6134 8.1346 118.9368 57.4111 41.1711 178.5017 59 F 4.3358 8.3527 120.9713 61.2272 39.3332 177.1728 60 A 3.8393 7.9518 120.0513 54.7583 18.3055 179.3444 61 K 3.8300 8.0450 118.2908 59.7030 32.2421 179.0122 62 R 3.8445 7.7318 118.7058 59.2439 29.8612 178.3533 63 L 3.9731 7.5169 118.5231 58.1104 41.6805 179.8969 64 R 4.5857 7.8119 121.2943 58.9655 29.6727 179.7818 65 E 3.9362 7.7615 117.4769 61.0623 29.9241 182.8036 66 I 3.7898 7.5493 119.9469 63.8214 37.2488 177.4287 67 Y 4.7065 7.7001 114.5450 56.1365 39.4726 175.6761 68 G 4.0373 7.2493 106.1556 44.2244 0.0000 174.7037 69 D 4.3897 8.5621 118.6691 56.4908 41.2295 177.8662 70 G 3.8195 7.9394 106.9055 45.3152 0.0000 175.4637 71 V 3.4994 7.9219 121.4194 65.2966 30.9571 178.4792 72 V 3.5387 7.7310 117.9808 65.1773 31.3568 177.6943 73 A 3.1316 7.5898 120.4800 54.7568 18.0737 179.6466 74 R 3.6984 7.6145 116.0040 59.4859 30.2304 179.0427 75 L 3.9819 7.8737 118.5349 58.1458 41.6097 179.5128 76 C 4.3727 8.1769 116.6306 62.6953 28.2027 176.3018 77 V 3.8212 7.8886 120.0769 65.9707 30.8690 177.8174 78 E 4.0018 8.0529 117.5868 59.5669 29.3901 178.7336 79 E 4.1180 7.9688 118.1367 58.8891 29.7394 178.2737 80 L 4.1240 7.9290 119.9938 58.0044 42.5955 178.0663 81 G 3.8071 7.9204 105.1049 45.0990 0.0000 173.3168 82 T 4.3596 8.0933 115.4938 62.3298 67.3323 174.0311 83 S 4.5253 7.9812 120.8137 57.2954 65.4335 174.1854 84 N 4.6563 8.4329 123.0749 52.1603 38.1738 174.9848 85 H 4.9841 8.5050 121.5572 53.6505 32.8400 174.0670 86 D 4.5149 8.8669 122.4380 55.8251 40.1560 175.2354 87 L 4.8268 7.6555 121.6195 53.6045 45.4959 174.8484 88 V 4.6613 8.7116 126.4023 60.9792 34.4389 174.3157 89 V 4.6654 8.4627 126.9396 60.9965 34.7488 173.9217 90 F 5.1733 8.9305 126.6470 55.8561 41.4222 174.1400 91 D 4.7942 8.8656 125.6442 55.2029 42.2177 176.5142 92 G 4.4836 8.8212 118.7160 45.8229 0.0000 173.5120 93 V 3.9949 8.0923 119.4708 62.8015 32.2560 175.6268 94 R 4.6321 9.7432 124.9671 56.2816 32.4235 175.6470 95 S 4.7683 7.6490 111.4823 55.9581 67.1508 174.8227 96 L 4.1022 8.5160 121.9308 57.4545 41.4487 179.4709 97 A 3.9635 7.9897 120.7715 55.0892 18.2395 179.3891 98 E 3.6866 7.8140 116.7491 59.4711 29.5362 179.4245 99 V 3.7994 7.6425 117.8468 66.3696 31.5390 177.6671 100 E 3.9239 8.4759 118.9938 59.3152 29.4245 178.6789 101 E 3.8985 7.9715 118.2419 59.2612 29.3899 179.1989 102 F 4.2212 8.0558 117.9996 60.5556 38.9368 177.8916 103 K 4.1426 8.4197 118.2701 59.4229 31.6145 179.4355 104 R 3.8774 7.8570 117.9934 59.4578 30.1048 178.2819 105 L 4.1963 7.9712 117.7075 56.7634 41.8307 178.3221 106 L 4.6924 8.3146 116.2742 55.5442 43.6308 176.5576 107 G 3.9433 8.4093 104.1324 44.4327 0.0000 173.7697 108 D 4.7027 8.5635 121.2713 53.4975 40.5318 176.8107 109 S 4.6425 7.6200 116.7326 58.3556 62.9527 173.6871 110 V 4.6837 7.2887 118.8269 61.4117 33.3852 174.7284 111 Y 5.0557 9.0444 125.0010 56.3204 42.1955 174.3592 112 I 4.8969 9.3141 124.5563 60.0136 39.4807 174.7682 113 V 4.9312 9.5341 127.6459 61.1713 33.9366 173.9958 114 A 5.1270 9.2403 130.8903 50.8346 20.9272 175.7658 115 V 4.6394 8.4849 122.2775 61.6540 33.0516 174.3631 116 H 4.9981 9.8047 129.8259 54.7836 31.7979 173.7175 117 S 4.8662 8.1063 120.2686 55.7175 66.9486 172.3126 118 P 4.3365 0.0000 0.0000 61.9015 32.1048 175.4866 119 P 3.6609 0.0000 0.0000 65.6700 31.1146 179.2209 120 K 3.9101 7.6662 116.6298 59.1994 32.0001 179.3882 121 I 3.6257 7.4803 119.6445 64.4750 37.1542 178.4134 122 R 4.0260 7.5990 118.5623 59.5222 29.7767 178.7865 123 Y 4.3984 7.8975 116.5498 61.0066 37.8869 178.4975 124 K 3.9675 8.1588 120.5664 59.6255 32.0969 178.9418 125 R 3.9431 7.7924 117.1332 59.6136 30.2684 178.7397 126 M 4.2384 8.0860 118.3180 58.5231 31.8244 178.9414 127 I 3.7913 7.9618 119.0932 64.0826 37.3369 177.5161 128 E 4.3006 8.1639 119.3616 56.6392 29.9497 177.9474 129 R 4.1216 7.1399 118.3335 56.3348 29.9221 182.5789 130 L 4.2634 8.1633 120.4663 54.6859 41.3710 177.1382 *135 S 4.2084 7.8850 111.4551 58.3830 63.0972 173.1227 136 K 4.4528 8.4454 125.0122 56.4343 33.2315 177.6275 137 E 4.0507 8.0502 120.5047 57.9414 31.1725 182.3761 138 I 3.6580 8.3877 123.4820 63.4200 38.0046 178.3221 139 S 4.0629 7.9042 114.6322 61.4769 62.9131 176.0356 140 E 3.8959 7.9908 122.4278 58.8184 29.5039 178.5908 141 L 3.9584 7.7175 119.1084 57.4465 41.5729 179.5397 142 I 3.7466 7.6692 122.3585 65.1096 37.0861 179.3385 143 R 3.9938 8.0901 121.4579 61.3293 29.1621 180.5685 144 R 4.1978 7.8213 117.7713 59.2856 29.9896 178.2626 145 D 4.4688 8.2625 121.3120 58.1449 40.8714 179.5842 146 R 4.0579 8.1494 123.4821 62.0959 29.2152 181.1575 147 E 4.2299 8.2710 118.8604 60.9822 29.7065 181.1814 148 E 4.1750 8.2211 120.2011 59.1410 29.6968 178.9398 149 L 4.1910 8.5044 121.9960 58.3808 41.4655 180.3060 150 K 4.1034 7.9231 122.6589 59.5755 31.6696 180.9460 151 L 4.4269 7.5495 117.8039 56.1270 41.6080 177.8965 152 G 4.2011 7.9246 107.6396 45.4246 0.0000 175.4785 153 I 3.9287 7.3046 122.2487 63.2483 37.6864 178.2798 154 G 3.6601 8.0865 106.2913 47.7081 0.0000 175.4183 155 E 3.9848 7.7951 120.3036 59.0689 29.5904 179.3420 156 V 3.7571 7.7222 117.8312 66.0273 31.8857 177.8070 157 I 3.7094 7.8485 119.3105 64.6130 36.8111 178.3769 158 A 4.1278 8.1826 119.9102 54.4370 18.1328 178.5347 159 M 4.4247 7.3421 115.0419 54.2181 32.8371 176.1779 160 A 4.2523 7.1925 122.2771 52.2136 19.1596 178.4089 161 D 4.4217 8.4189 120.7996 57.1898 41.7368 176.9213 162 Y 4.8328 7.8109 114.6369 56.4246 42.6988 174.1678 163 I 5.0078 8.5522 123.8040 59.6493 40.0017 174.7293 164 I 4.4354 9.1166 128.6057 59.8709 39.2670 174.9040 165 T 4.7945 8.5873 124.1605 62.9601 69.4770 174.6797 166 N 4.9260 9.3885 126.7659 51.3668 38.3845 173.3687 167 D 4.9118 8.3319 117.3935 52.1441 42.4644 176.2158 168 S 4.6647 7.5523 115.2837 58.5191 62.7204 176.9576 169 N 4.8541 8.5976 119.9275 51.2730 40.0366 174.3618 170 Y 4.2914 8.4292 120.3376 60.9766 38.9335 177.4546 171 E 3.7562 8.3845 122.2388 59.7570 29.8121 179.0887 172 E 3.9899 9.3522 119.0136 60.8142 29.7603 181.1424 173 F 4.3941 7.9751 121.5569 61.1934 39.4514 177.0223 174 K 3.6028 8.1206 122.0529 60.0891 31.8288 179.5243 175 R 3.8059 7.6414 120.1925 61.4036 29.3609 180.9546 176 R 3.9930 7.7494 119.2062 59.1777 30.0518 178.8982 177 C 3.5430 8.0360 119.1719 63.3246 28.0964 176.6968 178 E 3.9600 8.1550 120.1443 61.0916 29.2628 180.8213 179 E 4.1005 8.1287 118.8569 58.9178 29.6420 179.4212 180 V 3.0230 7.4548 119.1209 65.9538 31.5741 177.8531 181 T 3.7993 7.7690 115.4079 67.0409 68.1006 176.1241 182 D 4.3044 7.8217 119.1430 57.4607 40.8781 178.8372 183 R 3.9723 7.4484 117.6839 59.0589 30.0610 178.9913 184 V 3.3023 7.4304 117.4869 65.5583 31.5824 176.3474 185 L 4.2419 7.6112 122.1390 54.9847 41.6072 176.7194 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 9 K 8.17 4.65 0.00 1.93 1.92 0.00 1.66 0.00 0.00 2.02 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.56 1.71 7.81 10 V 9.10 4.86 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 1.10 0.00 0.00 1.03 0.00 0.00 11 I 9.67 5.02 1.84 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 1.35 0.63 1.02 0.00 0.00 12 L 9.54 4.95 0.00 1.57 1.59 0.98 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.81 4.98 1.96 0.00 0.00 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 1.31 0.73 1.15 0.00 0.00 14 T 9.57 5.03 4.32 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 1.34 0.00 0.00 15 G 8.24 4.69 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 0.00 0.00 0.00 16 M 7.95 4.48 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 17 P 0.00 4.40 0.00 2.10 2.04 0.00 3.90 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 2.08 2.28 0.00 18 G 9.00 3.96 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 0.00 0.00 0.00 19 S 7.81 4.08 0.00 4.12 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 20 G 8.28 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.75 4.22 0.00 2.21 2.21 0.00 1.36 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.72 7.81 22 S 8.18 4.42 0.00 4.11 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 0.00 23 E 8.40 4.24 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 24 F 8.50 4.44 0.00 3.09 3.37 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 25 A 7.92 3.72 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 26 K 8.57 3.84 0.00 1.92 2.07 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.50 7.81 27 L 7.94 4.06 0.00 1.98 1.73 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.60 3.96 0.00 1.56 1.48 -0.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.94 3.81 0.00 1.98 1.84 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 30 E 7.98 4.10 0.00 2.12 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 2.35 2.49 0.00 31 R 7.28 4.30 0.00 1.95 1.82 0.00 3.23 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 32 G 7.72 4.13 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 0.00 33 A 7.56 4.31 1.19 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 0.00 0.00 34 K 8.55 4.02 0.00 1.76 1.46 0.00 1.37 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.10 1.18 7.81 35 V 8.25 4.63 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 0.78 0.00 0.00 0.83 0.00 0.00 36 I 8.53 4.45 1.59 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 1.10 0.42 1.11 0.00 0.00 37 V 8.37 4.22 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 1.04 0.00 0.00 0.97 0.00 0.00 38 M 9.01 4.28 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.83 0.00 39 S 8.11 4.26 0.00 4.07 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 40 D 8.15 4.36 0.00 2.96 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 41 V 7.73 3.63 2.37 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 1.07 0.00 0.00 1.10 0.00 0.00 42 V 7.90 3.80 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.03 0.00 0.00 43 R 8.49 3.99 0.00 2.17 2.00 0.00 3.17 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 44 K 8.29 4.00 0.00 2.03 1.91 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.53 7.81 45 R 8.03 4.15 0.00 2.41 2.50 0.00 3.35 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 46 Y 8.25 2.66 0.00 2.87 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 47 S 7.90 3.92 0.00 4.06 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 48 I 6.96 4.07 2.00 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 1.51 0.67 0.91 0.00 0.00 49 E 7.72 4.55 0.00 2.22 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 2.28 2.29 0.00 50 A 7.37 3.81 0.37 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 *54 E 8.45 4.16 0.00 2.03 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 2.13 1.88 0.00 55 R 8.19 4.49 0.00 1.81 1.84 0.00 3.22 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 56 L 8.26 4.06 0.00 1.20 1.59 0.75 0.80 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 57 M 8.00 4.30 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.20 0.00 58 D 8.13 4.61 0.00 2.98 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 59 F 8.35 4.34 0.00 3.27 3.28 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 0.00 0.00 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 V 7.89 3.82 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 1.09 0.00 0.00 0.99 0.00 0.00 78 E 8.05 4.00 0.00 2.22 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 2.47 2.44 0.00 79 E 7.97 4.12 0.00 2.05 2.30 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 2.40 2.42 0.00 80 L 7.93 4.12 0.00 2.16 1.96 1.11 0.95 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 81 G 7.92 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 0.00 0.00 0.00 82 T 8.09 4.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 83 S 7.98 4.53 0.00 3.79 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 84 N 8.43 4.66 0.00 2.79 2.59 0.00 0.00 6.48 7.90 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 85 H 8.51 4.98 0.00 3.05 3.13 0.00 5.68 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.87 4.51 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.66 4.83 0.00 1.63 1.43 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.71 4.66 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 0.44 0.00 0.00 0.82 0.00 0.00 89 V 8.46 4.67 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 0.75 0.00 0.00 0.73 0.00 0.00 90 F 8.93 5.17 0.00 2.62 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 91 D 8.87 4.79 0.00 2.75 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 92 G 8.82 4.48 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 0.00 0.00 0.00 0.00 0.00 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 2.34 2.33 0.00 102 F 8.06 4.22 0.00 3.18 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.42 4.14 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.71 7.81 104 R 7.86 3.88 0.00 1.87 2.05 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 105 L 7.97 4.20 0.00 1.76 1.73 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.31 4.69 0.00 1.77 1.78 1.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.41 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.56 4.70 0.00 2.76 2.76 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 0.00 109 S 7.62 4.64 0.00 3.81 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 0.00 110 V 7.29 4.68 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 0.79 0.00 0.00 0.97 0.00 0.00 111 Y 9.04 5.06 0.00 3.09 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 0.00 112 I 9.31 4.90 1.95 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 1.18 1.07 0.99 0.00 0.00 113 V 9.53 4.93 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 0.91 0.00 0.00 1.16 0.00 0.00 114 A 9.24 5.13 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 0.00 115 V 8.48 4.64 2.20 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 0.94 0.00 0.00 1.13 0.00 0.00 116 H 9.80 5.00 0.00 3.21 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.11 4.87 0.00 3.58 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.34 0.00 2.12 2.14 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 119 P 0.00 3.66 0.00 1.89 1.77 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 120 K 7.67 3.91 0.00 1.73 1.84 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.51 7.81 121 I 7.48 3.63 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 0.84 0.00 0.00 122 R 7.60 4.03 0.00 1.79 2.12 0.00 3.35 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 123 Y 7.90 4.40 0.00 3.09 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 0.00 124 K 8.16 3.97 0.00 1.98 1.96 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 125 R 7.79 3.94 0.00 2.01 1.98 0.00 3.34 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 126 M 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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 1.65 0.82 0.86 0.00 0.00 139 S 7.90 4.06 0.00 4.05 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 0.00 140 E 7.99 3.90 0.00 2.05 2.05 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 2.35 2.42 0.00 141 L 7.72 3.96 0.00 1.09 1.33 0.79 0.75 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 0.00 142 I 7.67 3.75 1.98 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 1.46 0.53 0.92 0.00 0.00 143 R 8.09 3.99 0.00 1.82 1.94 0.00 3.26 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 1.56 1.51 0.00 144 R 7.82 4.20 0.00 2.13 1.96 0.00 3.07 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 145 D 8.26 4.47 0.00 3.13 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 0.00 146 R 8.15 4.06 0.00 1.84 1.94 0.00 3.27 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 147 E 8.27 4.23 0.00 1.99 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 2.24 2.19 0.00 148 E 8.22 4.18 0.00 2.29 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 2.34 2.43 0.00 149 L 8.50 4.19 0.00 1.88 1.72 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.92 4.10 0.00 1.87 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 151 L 7.55 4.43 0.00 1.79 1.78 0.94 0.95 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 0.00 152 G 7.92 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 0.00 153 I 7.30 3.93 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.78 0.97 0.00 0.00 154 G 8.09 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 7.80 3.98 0.00 2.06 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 2.35 2.33 0.00 156 V 7.72 3.76 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 1.13 0.00 0.00 1.05 0.00 0.00 157 I 7.85 3.71 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.93 0.00 0.00 158 A 8.18 4.13 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 0.00 159 M 7.34 4.42 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.77 0.00 160 A 7.19 4.25 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 0.00 161 D 8.42 4.42 0.00 2.89 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 Y 7.81 4.83 0.00 2.86 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 0.00 163 I 8.55 5.01 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 0.93 0.00 0.00 164 I 9.12 4.44 1.83 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.89 0.87 0.00 0.00 165 T 8.59 4.79 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 0.00 166 N 9.39 4.93 0.00 1.96 2.39 0.00 0.00 7.00 8.72 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 0.00 167 D 8.33 4.91 0.00 2.72 2.62 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 0.00 168 S 7.55 4.66 0.00 3.96 3.10 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 0.00 0.00 0.00 0.00 169 N 8.60 4.85 0.00 3.08 3.04 0.00 0.00 5.59 7.57 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 0.00 170 Y 8.43 4.29 0.00 3.11 3.10 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 0.00 0.00 0.00 0.00 171 E 8.38 3.76 0.00 2.14 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 2.36 2.37 0.00 172 E 9.35 3.99 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 173 F 7.98 4.39 0.00 3.06 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 0.00 174 K 8.12 3.60 0.00 1.11 1.39 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.29 7.81 175 R 7.64 3.81 0.00 1.89 1.92 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 176 R 7.75 3.99 0.00 1.86 1.86 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 177 C 8.04 3.54 0.00 2.74 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.15 3.96 0.00 1.96 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 2.24 2.19 0.00 179 E 8.13 4.10 0.00 2.11 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 2.36 2.18 0.00 180 V 7.45 3.02 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 0.67 0.00 0.00 0.71 0.00 0.00 181 T 7.77 3.80 4.36 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 1.17 0.00 0.00 182 D 7.82 4.30 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 183 R 7.45 3.97 0.00 1.50 1.89 0.00 3.14 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 184 V 7.43 3.30 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 0.52 0.00 0.00 0.60 0.00 0.00 185 L 7.61 4.24 0.00 1.68 1.53 0.94 0.82 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 * Residues marked with a * may have inaccurate shift predictions.