NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3362 8.1849 120.6327 54.4739 42.9301 175.7327 3 L 4.6944 8.3701 123.5768 52.5053 44.1729 175.9790 4 Y 4.2072 9.7157 121.5457 58.1801 39.1439 176.7413 *6 R 4.2054 7.5495 115.0091 56.1947 29.4841 175.4770 7 F 4.2434 8.9101 124.9100 61.5605 40.2801 176.1483 8 T 4.5533 7.8050 114.2505 61.5685 69.4876 174.8539 9 E 4.0055 8.9730 126.4541 57.7674 30.8345 176.6248 10 N 4.1703 8.9111 117.9258 53.8932 36.4712 174.9379 11 F 4.1006 8.2075 122.9419 61.4637 40.0108 175.3194 12 E 3.9286 8.4245 118.2200 59.5233 29.3781 178.6903 13 R 3.7635 7.8868 117.7497 59.2561 30.1739 178.0345 14 A 3.6808 8.0428 120.9591 54.9435 18.2253 179.5798 15 K 2.6333 7.4066 118.4022 58.7782 31.9024 178.9524 16 K 3.7710 7.4360 119.0715 59.6107 32.2042 178.3542 17 E 3.9982 7.9267 117.3961 59.1965 29.6176 178.8866 18 A 4.1488 7.8863 121.0124 54.8902 18.4314 180.5102 19 L 4.1994 7.9034 116.2208 55.3509 41.6351 179.5201 *21 S 4.3717 8.0869 117.3124 58.5846 65.0328 176.1836 22 L 3.9744 8.0751 121.5421 58.0069 41.7472 178.7213 23 E 3.9529 8.2656 118.6102 59.5126 29.3933 179.4925 24 I 3.6631 7.6873 118.8717 64.3188 37.2381 178.0479 25 A 3.9731 7.9745 121.5365 55.3140 18.1262 179.7270 26 L 3.9081 8.2934 117.7837 57.7040 41.4383 179.5835 27 R 3.8633 7.7828 117.6955 59.4220 30.2131 178.1729 28 K 4.2933 8.0475 114.6978 56.1808 32.5482 177.9265 29 G 3.9354 7.7859 107.8101 45.8396 0.0000 175.4648 30 E 3.9216 8.1923 119.7763 58.0804 29.6161 177.4876 31 V 3.8234 6.9648 118.8403 61.6904 32.3560 175.1731 32 D 4.4272 8.5143 126.8002 54.1719 40.7662 176.5838 33 E 3.9096 9.0868 125.3448 60.0183 29.1673 179.2978 34 D 4.4244 8.2046 117.4454 56.4041 41.1703 177.5672 35 I 4.2823 7.9276 111.8352 60.7067 38.2325 177.3767 36 I 3.6533 7.3747 123.1408 64.4579 37.0186 175.9715 37 P 4.2250 0.0000 0.0000 65.6231 31.0994 178.4395 38 L 3.9227 7.8215 118.4731 57.9795 42.0834 178.7317 39 L 3.9395 8.0735 119.0696 57.8763 41.3823 179.7048 40 K 3.9874 7.9981 117.1436 59.2798 32.1096 179.0699 41 K 4.1070 8.0813 119.9697 59.4503 32.1297 178.9910 42 I 3.6726 7.9725 120.3190 64.5620 36.8754 178.1998 43 N 4.6353 8.1960 115.6898 55.5901 38.4219 177.0027 44 S 4.4093 7.6487 114.6534 59.0053 63.9482 174.1445 45 I 4.2302 7.3825 125.2776 60.0706 37.8507 176.0805 46 E 3.9946 9.1080 126.5697 59.5000 29.6257 177.1513 47 N 4.3865 7.9923 113.5117 53.2704 38.6502 173.3335 48 Y 6.0509 8.0732 115.1524 55.8341 42.5933 174.2442 49 F 5.2830 8.3315 113.3690 56.4124 40.9213 172.9247 50 T 5.0999 9.0102 111.1751 60.5278 70.6977 174.3317 51 T 4.8909 8.3334 114.8225 60.6828 71.9987 172.9625 52 S 4.0899 8.9084 117.0364 58.5728 62.2009 173.4088 53 S 5.0917 7.9611 121.4682 57.3563 66.9703 172.5974 54 C 4.9056 8.7610 114.2138 57.5260 32.9172 173.8728 55 S 4.8690 8.8427 115.8888 56.9671 64.5789 173.6812 56 G 3.8698 8.4474 107.2854 46.9035 0.0000 173.0316 57 R 5.0409 8.9384 116.5709 54.7588 33.4238 173.6855 58 I 5.0224 8.9126 121.6747 59.9858 40.1030 174.9633 59 S 5.1720 9.1149 121.2423 57.1626 68.0107 173.0414 60 V 5.2922 8.8593 121.0100 60.0507 34.9747 174.4171 *62 E 5.1470 8.4368 123.1617 56.4614 31.0445 174.5868 *64 P 4.3024 0.0000 0.0000 60.9305 33.0608 176.6646 65 H 4.4417 7.5552 114.8119 56.0775 30.5597 174.6342 *70 V 3.8742 7.2446 119.0587 60.4024 33.3145 174.0031 71 N 4.1275 7.4067 117.2830 52.5652 41.2933 174.4442 72 A 4.4024 8.6532 128.0781 51.6349 19.8717 175.9220 73 K 4.6197 8.4839 120.1486 54.5872 34.7799 175.6452 74 W 4.1810 9.2791 127.7132 56.2773 29.2532 176.3174 75 L 4.4630 8.9285 125.1408 55.7605 42.4981 177.0545 76 G 3.8114 7.4595 103.4941 44.9331 0.0000 172.6616 77 K 4.6569 6.7739 122.0815 54.3341 36.1554 175.6942 78 W 5.1910 9.2299 124.0263 54.8824 33.8475 175.5522 79 H 5.2802 8.7311 120.4584 54.9076 28.9876 173.9378 80 R 4.5654 7.8062 114.2280 55.1973 31.7508 173.6850 81 E 4.1145 8.8065 117.4002 57.2521 29.6432 177.4763 82 V 4.2555 8.5332 116.6363 59.7900 33.9256 175.6696 83 S 4.6849 8.7984 116.3135 56.2785 66.3025 174.9090 84 L 3.6516 7.8769 124.5849 58.7581 41.7700 179.1497 85 Y 4.2042 6.9319 116.1327 60.8447 37.8665 177.9831 86 E 4.1250 7.7019 116.2577 59.2504 29.6481 179.4954 87 V 3.6923 7.2898 118.9581 65.7563 31.6485 177.8627 88 L 4.0176 8.1072 118.9517 58.0079 41.2819 179.2107 89 E 4.0290 8.2881 117.7139 59.1914 29.8349 178.4331 90 A 4.2780 8.0719 120.5890 55.2608 18.4445 179.6893 91 I 3.7754 8.1642 118.4674 64.3538 36.9897 178.3698 92 K 4.1941 7.9575 117.2931 57.9853 31.9525 178.3673 93 K 4.2969 7.7079 117.9563 56.1573 32.7251 176.5010 94 H 4.5047 7.7935 120.3636 56.5332 30.3120 174.7947 95 R 4.3608 9.1513 123.8846 57.0907 32.8125 175.4704 96 S 4.4697 7.7707 108.9299 57.7533 66.3490 175.0612 97 G 3.8390 8.6229 109.0084 45.0182 0.0000 171.7598 98 Q 4.4667 8.4235 117.5225 55.0177 30.6763 174.7282 99 L 4.6391 8.3766 126.7603 53.4848 43.6069 175.1730 100 W 5.3863 8.7072 125.2296 54.8334 33.4210 173.8764 101 F 5.1172 9.5534 126.1187 56.6791 40.9423 174.2474 102 L 5.1834 8.8492 126.2546 52.8454 45.1990 175.6467 103 V 4.8947 8.3612 121.1562 61.2327 34.7547 174.2298 104 R 4.8320 9.1298 126.6274 54.2618 33.4805 175.4338 105 S 3.2387 8.5582 117.7026 56.4626 63.4555 171.9271 106 P 4.3306 0.0000 0.0000 62.8174 31.8396 175.7273 107 I 4.7972 8.6119 120.4755 59.6719 41.0315 174.2655 108 L 4.9070 8.6735 126.2916 53.0756 45.3800 175.0714 109 H 5.3058 8.6962 119.7047 54.0242 31.4620 173.3264 110 V 4.5724 9.0392 123.7062 60.8651 34.4346 175.0805 111 G 3.5124 8.1017 115.3335 45.7159 0.0000 172.2769 112 A 5.2908 9.2721 122.5106 50.1038 22.6728 177.4718 113 K 3.7358 8.5092 121.4537 59.0151 33.1309 177.3634 114 T 5.1851 7.5888 108.1445 58.6699 72.0843 174.5294 115 L 3.6177 8.8460 123.5742 58.0838 41.8350 178.5376 116 E 3.8464 8.0335 118.7759 59.4209 29.6973 178.4133 117 D 4.2721 7.9125 118.5834 57.1244 40.7946 178.6344 118 A 3.7636 7.4588 121.1634 55.1034 18.1985 179.8652 119 V 3.4644 7.8612 117.1243 66.0916 31.5764 178.3171 120 K 3.9234 8.1777 118.3104 59.3282 31.7906 179.1340 121 L 3.8185 7.8497 120.2881 57.8716 41.9086 179.0815 122 V 3.5247 7.8079 118.2050 66.1585 31.5231 177.6705 123 N 4.2919 8.3652 116.4452 56.3003 38.2615 177.1807 124 L 3.9413 8.0892 121.4303 58.0057 42.2023 178.8489 125 A 4.0193 8.3438 121.1964 55.2282 18.3701 179.7634 126 V 3.7138 8.1669 117.3401 66.1638 31.3891 178.3765 127 S 4.2742 8.1108 112.7765 60.7547 62.8736 174.6202 128 C 4.4610 7.3752 118.7102 59.4808 28.0690 174.2986 129 G 3.9237 7.9488 108.0546 45.4000 0.0000 175.2348 130 F 4.4789 8.2734 120.7430 55.6183 37.3886 176.5386 131 K 3.9720 7.9985 122.6273 59.0716 32.4434 177.5950 132 Y 4.7376 7.7181 114.8639 57.9379 37.9095 175.7263 133 S 4.7149 7.9427 117.2881 59.1906 64.3668 173.2920 134 N 4.8894 9.1644 119.8859 52.7530 41.0874 172.4332 135 I 4.9023 8.3766 119.5807 59.8031 38.8941 175.4532 136 K 4.5718 9.3513 129.1783 54.7505 34.6537 174.9693 137 S 5.0060 8.5643 120.8180 56.6308 63.4817 173.4051 138 I 4.4221 7.9981 117.8205 61.3491 40.7474 175.3639 *143 L 4.1297 7.6655 118.7396 54.5158 42.6735 175.3696 144 I 4.8270 8.2077 120.7083 59.9800 42.3439 173.2443 145 V 4.7261 8.8715 126.3502 61.5135 33.4876 174.0805 146 E 5.1047 9.3874 128.4545 54.4460 32.6168 174.2583 147 I 4.7766 8.5506 127.8200 58.8089 39.7328 174.6558 148 R 5.1678 8.5217 125.8480 55.4941 33.7556 174.3313 149 S 5.2950 8.6257 120.5174 57.4631 64.5030 173.0073 150 T 4.7899 8.5748 107.0892 61.9684 70.2677 174.7869 151 E 4.3375 8.2486 123.3904 56.2416 28.6244 176.1640 152 R 4.6369 7.5384 118.9200 54.9900 32.2722 174.9281 *154 D 4.6027 8.2589 116.7417 54.5473 40.7753 173.9799 155 V 4.5183 9.0911 124.7624 60.8501 33.5052 174.3268 156 L 3.6484 8.5899 130.7825 54.9221 41.9158 176.0476 157 L 4.4556 8.6018 126.3188 55.0130 44.4516 176.2077 158 G 2.7880 6.9884 103.7312 46.0956 0.0000 171.6615 159 E 5.0164 7.8233 117.6291 55.6945 34.2173 175.6622 160 N 3.9710 9.9806 120.7559 54.4258 36.4358 175.4070 161 G 3.7169 7.4717 103.2331 45.3657 0.0000 171.6183 162 E 4.4365 8.0086 121.9216 54.2493 30.8477 174.4818 163 I 4.1047 8.0805 127.2408 60.2095 38.2528 175.7953 164 F 4.7497 8.3217 124.1241 58.3440 39.4780 176.2744 165 V 4.1681 7.5521 112.7821 59.5071 34.0349 175.5635 166 G 4.0760 7.9662 108.2163 43.0323 0.0000 174.4216 167 E 3.9592 8.4971 119.5657 59.2390 29.6843 178.1888 168 E 3.8910 8.1632 118.8986 59.3042 29.7566 177.9727 169 Y 3.9364 7.9704 119.0271 60.8175 38.9214 177.8899 170 L 3.8548 8.1196 119.8491 57.7254 41.6661 179.0507 171 N 4.1427 8.1880 117.1716 56.4721 38.8428 177.1687 172 K 3.8527 7.6553 119.6742 59.4083 32.0330 179.4224 173 I 3.4291 7.3494 120.0790 64.1473 36.8222 178.7076 174 V 3.4959 7.8024 119.5107 65.7436 31.3888 177.6501 175 E 3.8391 8.0792 119.0517 59.4379 29.6139 178.9495 176 I 3.8003 7.7314 119.5438 64.1766 36.8945 178.2598 177 A 4.1055 8.1006 121.0324 55.4645 18.3855 179.2249 178 N 4.4549 8.1906 113.7537 56.4875 38.8226 177.1346 179 D 4.5023 7.9635 120.3505 57.0393 40.7282 178.8080 180 Q 3.5903 7.6105 117.1024 56.1421 28.8392 178.4683 *182 R 4.2740 8.0156 121.2209 56.4266 32.5422 178.3472 183 R 4.7500 7.6013 118.1497 58.6477 29.7730 179.1111 184 F 4.4643 8.0638 117.8999 60.6820 38.9884 177.7451 185 K 4.0601 8.2801 117.8560 59.5537 31.8931 179.0529 186 E 4.0784 8.2224 117.4233 59.1561 29.4166 179.4791 187 K 4.0029 7.9588 119.3252 59.2296 32.1256 179.1793 188 L 4.2345 8.4662 119.6225 57.9599 41.5657 179.7822 189 K 4.0486 8.2534 118.3324 59.3726 31.4706 179.4095 190 R 3.8876 8.0480 119.0049 59.3606 30.0500 178.3629 191 L 4.0051 8.4204 120.5301 58.1673 41.8897 178.4156 192 E 3.9368 8.5047 118.8936 59.3162 29.6197 178.6686 193 S 4.3118 8.0723 112.9861 60.1443 63.5885 175.4365 194 K 4.4291 7.4877 119.8891 56.4802 32.8265 177.8616 195 I 3.6920 7.7259 119.7009 63.7014 37.8521 176.8840 196 N 4.3725 8.2017 116.9329 55.7980 38.5540 176.1323 197 A 4.1288 7.8203 121.1880 54.7824 18.5017 178.8700 198 L 4.1751 7.8236 116.4471 55.8773 42.2179 177.4017 199 N 4.5654 7.4399 116.6015 53.2832 39.1919 175.3085 200 R 4.2119 8.4181 119.0570 56.4685 30.3807 176.4622 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 L 8.18 4.34 0.00 1.72 1.76 0.94 0.55 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 3 L 8.37 4.69 0.00 1.73 1.62 0.95 0.64 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 4 Y 9.72 4.21 0.00 2.86 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 *6 R 7.55 4.21 0.00 1.77 2.02 0.00 3.43 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 7 F 8.91 4.24 0.00 3.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.81 4.55 4.83 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 1.53 0.00 0.00 9 E 8.97 4.01 0.00 1.98 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 0.00 2.29 2.26 0.00 10 N 8.91 4.17 0.00 2.84 2.79 0.00 0.00 6.68 8.13 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 11 F 8.21 4.10 0.00 3.19 3.12 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 12 E 8.42 3.93 0.00 2.16 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 2.37 2.42 0.00 13 R 7.89 3.76 0.00 1.87 1.85 0.00 3.21 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 14 A 8.04 3.68 1.10 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 0.00 0.00 15 K 7.41 2.63 0.00 0.83 1.46 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.27 1.24 7.81 16 K 7.44 3.77 0.00 1.78 1.88 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 17 E 7.93 4.00 0.00 1.94 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 0.00 2.26 2.47 0.00 18 A 7.89 4.15 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 19 L 7.90 4.20 0.00 1.77 1.66 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *21 S 8.09 4.37 0.00 4.03 3.93 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 22 L 8.08 3.97 0.00 1.83 1.82 0.91 0.87 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 23 E 8.27 3.95 0.00 2.01 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 2.43 2.49 0.00 24 I 7.69 3.66 2.00 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 1.55 0.58 0.89 0.00 0.00 25 A 7.97 3.97 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 26 L 8.29 3.91 0.00 1.82 1.72 0.92 0.67 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 27 R 7.78 3.86 0.00 1.90 2.23 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 28 K 8.05 4.29 0.00 1.85 1.82 0.00 2.00 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 29 G 7.79 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 30 E 8.19 3.92 0.00 2.02 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 2.31 2.22 0.00 31 V 6.96 3.82 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 0.74 0.00 0.00 0.92 0.00 0.00 32 D 8.51 4.43 0.00 2.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.09 3.91 0.00 2.06 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 2.42 2.50 0.00 34 D 8.20 4.42 0.00 2.68 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 35 I 7.93 4.28 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.63 0.90 0.00 0.00 36 I 7.37 3.65 1.96 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 1.51 0.83 0.91 0.00 0.00 37 P 0.00 4.22 0.00 2.16 2.19 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 38 L 7.82 3.92 0.00 1.72 1.76 0.83 0.47 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 39 L 8.07 3.94 0.00 1.86 1.69 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.00 3.99 0.00 1.72 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.61 7.81 41 K 8.08 4.11 0.00 1.95 1.91 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.51 7.81 42 I 7.97 3.67 1.95 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 1.35 0.54 0.84 0.00 0.00 43 N 8.20 4.64 0.00 2.81 2.94 0.00 0.00 7.13 7.16 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 44 S 7.65 4.41 0.00 4.00 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 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0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.15 0.00 *64 P 0.00 4.30 0.00 1.71 2.08 0.00 3.63 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 1.85 2.03 0.00 65 H 7.56 4.44 0.00 3.19 3.43 0.00 5.75 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 *70 V 7.24 3.87 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 0.79 0.00 0.00 0.84 0.00 0.00 71 N 7.41 4.13 0.00 2.68 2.68 0.00 0.00 6.91 7.96 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 72 A 8.65 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.48 4.62 0.00 1.70 1.62 0.00 1.81 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.44 7.81 74 W 9.28 4.18 0.00 3.31 2.95 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 75 L 8.93 4.46 0.00 1.73 1.88 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 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 0.00 126 V 8.17 3.71 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 1.04 0.00 0.00 1.09 0.00 0.00 127 S 8.11 4.27 0.00 4.09 4.11 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 0.00 128 C 7.38 4.46 0.00 3.28 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 0.00 129 G 7.95 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 0.00 130 F 8.27 4.48 0.00 3.33 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.00 3.97 0.00 1.54 1.66 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.31 7.81 132 Y 7.72 4.74 0.00 3.22 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 0.00 133 S 7.94 4.71 0.00 3.84 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 0.00 134 N 9.16 4.89 0.00 2.82 2.98 0.00 0.00 6.79 7.53 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 0.00 135 I 8.38 4.90 1.95 0.00 0.00 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 1.35 0.68 1.14 0.00 0.00 136 K 9.35 4.57 0.00 1.96 1.68 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 137 S 8.56 5.01 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.00 4.42 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.87 0.00 0.00 *143 L 7.67 4.13 0.00 0.61 0.95 0.69 0.63 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 0.00 144 I 8.21 4.83 1.88 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 1.12 0.87 0.93 0.00 0.00 145 V 8.87 4.73 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 0.69 0.00 0.00 0.88 0.00 0.00 146 E 9.39 5.10 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 147 I 8.55 4.78 1.63 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 0.93 1.62 0.34 0.00 0.00 148 R 8.52 5.17 0.00 1.88 1.82 0.00 3.12 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 149 S 8.63 5.30 0.00 3.87 3.93 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 0.00 150 T 8.57 4.79 4.35 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 1.15 0.00 0.00 151 E 8.25 4.34 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.27 0.00 152 R 7.54 4.64 0.00 1.86 1.96 0.00 3.07 0.00 0.00 3.88 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 *154 D 8.26 4.60 0.00 2.80 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 0.00 155 V 9.09 4.52 2.36 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 1.17 0.00 0.00 1.15 0.00 0.00 156 L 8.59 3.65 0.00 0.80 1.31 0.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.60 4.46 0.00 1.45 1.58 1.04 0.70 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 0.00 158 G 6.99 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 0.00 0.00 0.00 159 E 7.82 5.02 0.00 2.09 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 2.23 2.32 0.00 160 N 9.98 3.97 0.00 2.75 2.79 0.00 0.00 7.03 8.29 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 0.00 161 G 7.47 3.72 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 0.00 0.00 0.00 162 E 8.01 4.44 0.00 2.00 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 2.30 2.32 0.00 163 I 8.08 4.10 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 0.89 0.00 0.00 164 F 8.32 4.75 0.00 2.90 2.85 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 0.00 0.00 0.00 165 V 7.55 4.17 1.89 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 0.29 0.00 0.00 0.95 0.00 0.00 166 G 7.97 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 0.00 0.00 0.00 0.00 167 E 8.50 3.96 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 2.38 2.38 0.00 168 E 8.16 3.89 0.00 2.09 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 2.39 2.36 0.00 169 Y 7.97 3.94 0.00 3.09 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 0.00 170 L 8.12 3.85 0.00 1.84 1.60 0.93 0.34 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 0.00 171 N 8.19 4.14 0.00 2.77 2.90 0.00 0.00 7.17 6.15 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 0.00 172 K 7.66 3.85 0.00 1.69 1.60 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.50 7.81 173 I 7.35 3.43 1.47 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.64 0.05 0.00 0.00 174 V 7.80 3.50 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 0.96 0.00 0.00 0.77 0.00 0.00 175 E 8.08 3.84 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 176 I 7.73 3.80 1.92 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 1.39 0.90 0.88 0.00 0.00 177 A 8.10 4.11 1.65 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 0.00 0.00 178 N 8.19 4.45 0.00 2.82 3.06 0.00 0.00 7.13 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 0.00 179 D 7.96 4.50 0.00 2.89 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 0.00 180 Q 7.61 3.59 0.00 2.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.38 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 *182 R 8.02 4.27 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.45 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 183 R 7.60 4.75 0.00 1.66 1.78 0.00 3.02 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 184 F 8.06 4.46 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 K 8.28 4.06 0.00 1.94 1.93 0.00 1.95 0.00 0.00 2.00 0.00 0.00 3.16 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.63 1.52 7.81 186 E 8.22 4.08 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 187 K 7.96 4.00 0.00 1.97 1.38 0.00 1.40 0.00 0.00 1.15 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.52 7.81 188 L 8.47 4.23 0.00 1.95 1.81 1.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.25 4.05 0.00 2.02 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.72 7.81 190 R 8.05 3.89 0.00 2.01 2.15 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 191 L 8.42 4.01 0.00 1.97 1.83 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 192 E 8.50 3.94 0.00 2.09 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 2.47 0.00 193 S 8.07 4.31 0.00 4.09 4.06 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 0.00 0.00 0.00 194 K 7.49 4.43 0.00 1.83 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.57 7.81 195 I 7.73 3.69 1.99 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 1.27 1.31 0.88 0.00 0.00 196 N 8.20 4.37 0.00 2.88 2.80 0.00 0.00 7.13 8.17 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 0.00 197 A 7.82 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 L 7.82 4.18 0.00 1.82 1.93 0.68 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 199 N 7.44 4.57 0.00 2.96 2.77 0.00 0.00 6.92 7.73 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 0.00 200 R 8.42 4.21 0.00 1.78 1.82 0.00 3.20 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.