NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5176 8.3349 115.4173 57.7797 64.8156 174.3939 3 N 4.3294 8.0800 118.8190 55.2490 38.7989 173.9777 4 I 4.0482 8.2971 120.1046 61.1973 39.0212 174.5778 5 N 5.2141 8.5878 122.2093 51.5977 42.7530 172.6841 6 Y 4.9932 9.3279 116.2505 56.4153 42.4486 175.0710 7 V 4.7009 9.0283 122.9424 61.1521 34.6662 174.0685 8 I 4.6872 8.3586 128.4990 59.5047 39.6677 174.4777 9 L 5.1268 8.9530 126.6729 53.1804 44.7517 175.5383 10 T 5.0554 8.9738 120.5363 61.6547 72.0383 173.2766 11 V 4.8643 8.7877 125.2614 61.0513 34.8456 174.0988 12 A 5.3620 8.8467 128.0194 50.4378 23.1032 174.9833 13 S 4.9263 9.3771 116.1257 57.7797 64.9409 173.4669 14 V 5.0127 8.2553 122.0822 60.8794 34.8675 174.5084 15 D 4.4890 8.8033 127.1716 54.8985 41.5934 177.5008 16 F 4.1311 9.3393 124.6096 61.6583 39.1269 177.6538 17 S 4.2482 8.2181 112.4120 61.3974 62.7773 174.9854 18 Y 4.5031 8.0185 120.9629 58.4718 38.4106 177.0039 19 R 3.7630 7.4323 118.1281 59.9971 30.3980 177.7025 20 E 4.0371 7.8806 117.2177 59.9779 29.7681 180.9033 21 T 3.8746 7.1338 113.8482 63.8159 68.1955 176.1567 *23 A 4.0643 8.2612 128.2455 52.9834 20.2581 180.0672 24 R 4.0562 7.7304 113.7608 59.4852 29.6763 182.1103 25 L 3.9782 7.8649 117.8040 54.8305 41.0429 179.3009 *27 S 4.3854 8.1269 115.8780 58.4375 65.1914 175.9523 28 S 4.0109 7.8276 114.2309 61.5741 62.1502 175.3411 29 Y 4.1887 8.1703 122.3017 60.8295 38.3427 178.3671 30 S 4.2406 8.2795 118.0220 62.1176 62.9761 177.0196 31 K 3.8992 7.9334 126.2582 59.9149 31.3123 179.9344 32 D 4.5162 7.9594 119.5051 57.4602 41.0841 178.7431 33 L 3.9430 7.6486 119.0920 57.6731 41.3576 179.5891 34 I 4.0163 7.8067 120.6902 64.0562 37.1514 177.8541 35 D 4.5376 8.2965 118.6599 56.3647 40.9059 177.6495 36 N 4.7976 8.3719 114.9429 53.4545 40.3158 175.4944 37 A 4.3268 8.0680 120.5404 51.6533 19.8351 177.6586 38 G 3.9065 8.3553 102.9026 45.6246 0.0000 173.5836 39 A 3.9621 8.0903 123.4396 52.3363 18.6616 179.0251 40 K 4.2217 8.3544 124.6399 57.1857 32.9825 177.0146 41 G 4.2867 8.0746 105.6229 44.5179 0.0000 173.3590 42 T 5.1438 8.1836 109.7450 59.9119 72.6040 173.0329 43 R 4.9220 8.7429 120.0718 54.5695 34.9007 174.3353 44 F 5.4981 8.7476 123.5744 56.9567 43.1897 173.5718 45 G 4.3293 8.2010 111.8258 45.7783 0.0000 171.4138 46 S 5.1728 8.2885 114.4150 56.3396 65.7563 173.8456 47 I 4.1204 8.7917 124.7762 61.5465 37.1377 176.9986 48 G 4.2013 9.4643 115.9696 47.7280 0.0000 172.9779 49 T 4.7130 7.5148 108.5118 60.4090 72.4307 173.8976 50 G 3.8913 8.4046 109.0143 44.9575 0.0000 173.5767 51 D 4.4139 8.6667 117.1325 56.9335 41.1857 176.8407 52 H 4.7727 8.1761 115.1706 55.1929 28.9257 174.2339 53 A 4.2513 7.4665 122.7866 54.4006 18.2883 178.8997 54 G 4.0854 9.3764 112.5465 45.2224 0.0000 174.0497 55 S 4.5870 8.2663 116.0224 58.5439 64.4472 173.4282 56 L 4.9645 8.7764 121.7365 53.5726 44.1937 175.5899 57 I 5.1763 8.6173 121.0319 59.3058 41.9232 173.6630 58 F 5.7626 9.3970 130.1208 56.5754 42.6350 173.5313 59 I 4.6572 8.5326 126.1175 59.3961 40.5511 174.3764 60 Q 4.3632 8.2796 124.9600 53.7545 32.3207 174.3546 61 F 5.2099 8.0768 120.9573 55.9267 41.9845 174.1953 62 Y 5.1644 9.1664 120.4299 56.4597 41.7005 176.5187 63 D 5.0576 9.1189 121.5736 56.2222 41.4929 176.3204 64 D 5.1356 7.8647 116.7791 51.5485 45.1573 176.2572 65 L 3.8574 8.1068 120.4106 57.5151 41.5004 179.6680 66 T 3.8712 8.0076 116.1046 66.6528 68.3774 175.9319 67 G 3.7030 7.6722 107.2070 48.3149 0.0000 175.0258 68 Y 3.4092 7.2516 121.5533 59.8174 38.8089 177.5582 69 Q 3.6036 7.8473 120.7224 58.8906 29.0351 178.3615 70 K 3.8548 7.8754 119.3428 59.2682 32.0475 179.0691 71 A 3.9301 7.8337 121.0061 55.2247 17.8297 179.6289 72 L 3.7650 7.7795 119.9598 58.5479 41.3784 180.3334 73 E 3.9553 7.6705 117.2478 61.0265 30.0775 181.0753 74 I 4.0235 7.9198 120.4631 64.2169 37.0002 178.4932 75 Q 3.8043 7.8551 119.2817 58.9892 28.3236 178.8392 76 S 4.0360 7.2749 113.1023 61.3475 62.7991 175.9743 77 K 4.3114 7.3924 118.4971 55.9756 32.6532 176.7481 78 S 4.4383 7.7937 116.2818 57.6053 63.1444 174.9103 79 S 4.1890 8.8574 123.4653 61.4369 63.0456 176.4294 80 V 3.5572 7.8979 121.5234 65.8562 30.9982 177.6574 81 F 3.7415 8.0408 118.8249 61.0019 39.3034 176.5803 82 K 4.0908 8.0286 118.3181 59.4222 32.3435 178.0036 83 E 4.1120 8.3573 119.6037 59.3096 29.3385 179.1254 84 I 3.6316 6.9203 113.7155 62.8423 36.7419 176.6473 *86 D 4.6199 8.0702 121.4844 54.0669 42.6816 177.9151 87 S 3.9181 7.7682 113.4015 59.2318 63.0208 175.5918 88 G 3.8218 7.3865 103.8962 45.8560 0.0000 173.8018 89 K 4.5943 7.8104 117.4585 55.8029 33.6332 175.5816 90 A 5.1189 7.8404 121.8516 49.9959 21.9058 174.9165 91 N 4.8920 9.2617 121.7743 51.6110 41.7028 173.5274 92 I 4.5239 8.5686 128.3597 61.4860 37.4960 175.4712 93 Y 4.8925 8.4555 124.1524 56.4966 39.3058 175.4142 94 L 4.5741 7.2435 121.7392 54.1533 45.8309 173.8808 95 R 5.1303 8.4082 125.4925 55.2061 33.2094 173.4280 96 N 5.1696 9.2644 122.3274 51.7706 43.9398 173.0080 97 I 4.8881 8.2676 120.3872 59.6741 40.3256 174.9918 98 S 5.2143 9.2030 120.5565 56.4062 65.8843 173.4785 99 T 4.3399 8.6300 115.7971 61.5614 70.6484 173.3160 100 S 4.7018 8.6261 117.0850 56.6796 65.0390 172.7832 101 L 4.8263 8.9539 127.8755 52.3391 43.3682 175.2020 102 P 4.2296 0.0000 0.0000 63.5554 31.7054 175.9983 103 T 4.8551 8.1981 112.0343 59.8374 71.8670 174.6932 104 K 4.3658 8.8713 124.4663 54.9772 30.5507 175.4893 105 F 4.5714 7.6622 121.1677 56.0144 42.7475 173.7764 106 E 4.0574 7.6489 128.6314 55.1178 28.8719 175.8683 107 Q 4.2882 8.3866 126.1458 55.7428 29.5945 175.7177 108 S 4.9353 8.4460 116.5276 57.0231 64.2586 173.6084 109 Y 4.3379 8.3205 121.1763 57.7953 38.2989 175.7469 110 E 3.9439 7.9775 122.1038 56.4530 30.0166 175.9552 111 H 4.2726 8.8408 126.5696 55.4273 30.4430 173.0229 112 P 4.5710 0.0000 0.0000 62.6902 32.3666 176.1217 113 K 4.2051 8.8102 119.1803 58.0331 33.7281 176.3188 114 Y 5.3621 7.8902 115.9946 56.1673 42.6206 174.3882 115 I 5.1870 8.9490 122.9642 59.6011 40.9943 174.5994 116 V 4.8529 9.0758 126.4266 61.3341 33.7792 174.1209 117 L 5.1863 8.7277 128.5551 53.7863 43.6367 175.7658 118 T 5.0791 9.2742 120.5719 61.6742 72.1341 172.9679 119 R 5.2306 8.7128 124.7489 54.6130 33.4775 173.8542 120 A 5.3181 9.2932 126.4014 50.4940 23.5559 174.3288 121 E 5.0164 9.2753 119.4896 55.2009 31.4580 175.3518 122 A 4.9835 8.7174 123.2682 50.6497 22.2932 178.6275 123 A 4.4253 8.7105 121.4398 51.6515 17.8181 180.0060 *125 S 4.4844 8.5508 108.4491 59.1836 65.0409 175.0143 126 D 4.7745 8.0335 122.8367 54.7792 40.6947 178.5131 127 K 4.3379 8.1398 128.6833 59.6802 31.5251 182.4743 128 D 4.6664 8.0999 119.5595 56.8710 40.9757 178.6611 129 K 3.8199 8.0281 118.6009 59.4536 31.9921 178.7184 130 F 4.0971 8.4578 120.7021 61.4718 39.2904 176.9711 131 L 3.9086 8.1642 119.7833 58.0992 41.8147 178.7010 132 N 4.3470 8.4657 116.6421 56.4174 38.5322 177.0752 133 C 4.1210 8.1572 118.0565 62.9433 28.0239 176.1761 134 I 3.6492 7.4127 119.8830 64.6642 36.8344 178.0320 135 N 4.5447 8.3822 117.2571 56.3074 38.1377 177.2194 136 D 4.4959 8.4863 120.0450 56.3984 41.2458 177.6663 137 T 4.2675 7.7840 108.6311 61.3919 69.2542 175.9766 138 A 4.3925 7.7433 125.7917 56.0729 18.2579 180.0201 139 S 4.1849 8.1304 111.8618 61.4763 63.1334 176.1607 140 C 3.9519 8.0634 120.5726 62.7524 27.7156 176.1790 141 F 4.1940 8.0367 118.5532 60.4365 38.7770 177.5977 142 K 4.0186 8.3654 119.1661 59.8170 31.8203 178.5252 143 D 4.4314 8.2658 118.1029 56.9319 40.7639 177.6104 144 N 4.8546 7.3760 112.7817 52.7551 38.9348 175.5047 145 G 4.0900 8.0344 107.5641 44.8701 0.0000 174.6151 146 A 3.9859 8.2286 122.2482 52.7825 18.6403 177.5181 147 L 4.6005 9.1091 121.5066 56.4225 43.3058 176.9436 148 T 5.5586 7.3319 106.9031 58.9106 72.6508 172.7646 149 L 4.3668 8.0405 124.3667 53.6104 44.5259 175.3234 150 R 4.7746 8.8864 125.5011 54.5608 34.1521 174.6342 151 F 5.2001 7.9628 122.4662 56.9213 43.2796 174.2487 152 G 3.4212 6.3632 110.1592 45.5706 0.0000 171.0241 153 N 5.1619 7.6609 116.4699 50.7773 42.4920 174.3859 154 L 4.2957 8.3326 122.3721 55.3155 41.9720 178.2241 155 L 4.2179 8.9626 125.2517 56.7271 42.3669 177.0276 156 T 4.5208 7.8237 106.5421 60.0052 72.1760 172.9499 157 G 3.8539 8.5261 107.3536 44.6041 0.0000 174.1978 158 S 4.3731 8.3572 113.0492 60.2522 63.0819 174.9712 159 N 4.9895 7.8985 118.0537 52.3665 39.0413 174.3765 160 V 3.6779 7.2232 117.6942 63.7470 31.5333 175.0670 161 G 3.9785 8.9286 111.5733 45.3810 0.0000 173.8499 162 N 4.5697 7.9519 116.3996 53.8877 39.3767 174.5562 163 Y 4.3592 8.9909 119.7419 57.7294 39.7254 174.4146 164 L 5.1605 9.0694 124.0546 53.2780 45.9993 174.7333 165 L 5.2990 9.6172 127.9078 53.2038 45.3593 175.0311 166 G 4.5122 9.2072 113.3056 44.3794 0.0000 171.8557 167 V 4.6401 8.6549 124.2332 60.9111 34.9976 174.4959 168 G 4.2982 8.4840 115.0480 44.9035 0.0000 172.1852 169 Y 5.3765 9.2371 120.2083 55.5449 42.2041 174.7438 170 P 4.6103 0.0000 0.0000 65.0875 33.2682 176.3475 171 S 4.5498 7.5293 117.1292 58.6103 67.6844 176.9209 *173 E 4.1461 8.8641 116.7416 55.9133 30.9786 177.3257 174 A 4.1833 7.9087 120.1839 55.1045 18.3169 179.7545 175 I 3.1552 7.3309 118.5184 64.2473 37.0584 177.9491 176 E 3.9004 8.0819 119.5970 59.5406 29.5434 178.9847 177 K 3.9624 8.3641 118.5654 59.5882 32.0311 179.4943 178 T 3.7258 8.0194 116.0100 67.0336 68.4387 176.3495 179 Y 3.7941 8.1207 118.3445 60.5195 37.5849 177.8026 180 D 4.3111 8.0956 119.7554 57.4752 41.2944 178.3476 181 E 3.9810 7.8916 119.0382 59.0543 29.5498 178.4054 182 L 3.6160 7.8785 120.7641 58.1377 41.8418 178.9681 183 L 3.4413 7.3787 117.2104 56.5502 41.5632 177.5074 184 A 4.7115 7.4762 120.4012 52.4362 19.8615 176.3427 185 H 4.9070 7.7790 119.2692 55.2857 33.1881 173.4673 186 S 4.1524 8.5618 123.2341 62.0316 62.8352 176.9508 187 S 4.1316 8.3244 118.3359 61.1465 62.3040 176.0232 188 Y 3.8544 7.9621 121.0524 60.7452 38.8373 177.3746 189 K 3.9444 7.8565 117.8045 59.6203 32.1967 178.5799 190 E 4.0919 8.1939 118.8289 58.7592 30.0943 180.0680 191 L 2.9721 7.4894 122.6505 54.3034 41.6724 178.4386 *193 T 4.3098 7.9579 108.4195 60.7963 70.6489 174.0128 194 F 4.9016 7.6481 113.7283 55.8243 39.1115 174.1263 195 A 4.8429 7.1793 121.8464 50.2536 22.1568 175.4821 196 K 4.4314 8.7041 123.2418 54.2539 34.6309 175.4343 197 V 4.2749 8.5545 128.4927 62.5340 32.1239 175.2928 198 N 4.8551 8.8689 125.0781 52.6559 37.5717 173.9438 *200 R 4.4502 7.8246 117.7431 57.1977 31.1039 174.1759 201 N 5.1018 9.0428 121.4903 52.2106 44.0117 173.1669 202 I 4.9867 8.5953 122.1165 59.9571 39.7628 174.7179 203 I 4.8978 9.1608 127.2207 59.4191 40.2264 174.4834 204 K 4.5839 8.9464 128.8633 54.6846 33.3941 175.6239 205 I 4.1980 8.1431 129.7475 61.4382 37.6965 176.6485 206 L 4.2664 8.4763 126.0644 54.8861 41.6760 176.3116 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 S 8.33 4.52 0.00 4.03 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 3 N 8.08 4.33 0.00 2.82 2.90 0.00 0.00 7.06 6.57 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 4 I 8.30 4.05 1.63 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 1.26 0.27 0.54 0.00 0.00 5 N 8.59 5.21 0.00 2.53 2.83 0.00 0.00 6.69 7.10 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 6 Y 9.33 4.99 0.00 2.96 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 7 V 9.03 4.70 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 0.70 0.00 0.00 1.03 0.00 0.00 8 I 8.36 4.69 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.03 0.73 0.00 0.00 9 L 8.95 5.13 0.00 1.47 1.46 0.86 0.42 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 10 T 8.97 5.06 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 11 V 8.79 4.86 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 0.68 0.00 0.00 0.79 0.00 0.00 12 A 8.85 5.36 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 13 S 9.38 4.93 0.00 3.98 4.09 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 14 V 8.26 5.01 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 1.04 0.00 0.00 1.05 0.00 0.00 15 D 8.80 4.49 0.00 2.83 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 16 F 9.34 4.13 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 17 S 8.22 4.25 0.00 4.15 4.10 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 18 Y 8.02 4.50 0.00 3.01 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 19 R 7.43 3.76 0.00 1.64 1.80 0.00 2.82 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 20 E 7.88 4.04 0.00 1.95 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 2.24 0.00 21 T 7.13 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 *23 A 8.26 4.06 1.45 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 0.00 0.00 24 R 7.73 4.06 0.00 1.72 1.95 0.00 3.28 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 25 L 7.86 3.98 0.00 1.45 1.55 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *27 S 8.13 4.39 0.00 4.04 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 0.00 28 S 7.83 4.01 0.00 3.95 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 29 Y 8.17 4.19 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.28 4.24 0.00 4.17 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 31 K 7.93 3.90 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 32 D 7.96 4.52 0.00 2.80 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 33 L 7.65 3.94 0.00 1.85 1.73 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.81 4.02 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.92 0.00 0.00 35 D 8.30 4.54 0.00 2.68 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 36 N 8.37 4.80 0.00 2.75 2.82 0.00 0.00 6.93 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 37 A 8.07 4.33 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.36 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 39 A 8.09 3.96 1.21 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 0.00 0.00 40 K 8.35 4.22 0.00 1.76 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.72 7.81 41 G 8.07 4.29 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 0.00 42 T 8.18 5.14 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 1.15 0.00 0.00 43 R 8.74 4.92 0.00 1.66 1.84 0.00 3.21 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 44 F 8.75 5.50 0.00 3.38 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 45 G 8.20 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 0.00 0.00 0.00 0.00 46 S 8.29 5.17 0.00 3.90 3.89 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 47 I 8.79 4.12 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.67 3.96 0.00 2.10 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 2.26 2.22 0.00 74 I 7.92 4.02 1.97 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 1.67 0.88 0.87 0.00 0.00 75 Q 7.86 3.80 0.00 1.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.03 2.46 0.00 76 S 7.27 4.04 0.00 3.99 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 77 K 7.39 4.31 0.00 2.09 1.90 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.30 7.81 78 S 7.79 4.44 0.00 4.13 4.03 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 79 S 8.86 4.19 0.00 4.11 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 80 V 7.90 3.56 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 1.04 0.00 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115 I 8.95 5.19 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 1.16 0.94 1.03 0.00 0.00 116 V 9.08 4.85 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.00 0.00 0.00 117 L 8.73 5.19 0.00 1.70 1.61 0.92 0.36 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 0.00 118 T 9.27 5.08 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 119 R 8.71 5.23 0.00 1.89 1.89 0.00 3.21 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 1.71 1.76 0.00 120 A 9.29 5.32 1.48 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 0.00 121 E 9.28 5.02 0.00 1.98 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 2.33 2.33 0.00 122 A 8.72 4.98 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.71 4.43 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 S 8.55 4.48 0.00 4.04 4.09 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 0.00 126 D 8.03 4.77 0.00 3.08 2.49 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 0.00 0.00 0.00 0.00 127 K 8.14 4.34 0.00 1.76 1.84 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 0.98 7.81 128 D 8.10 4.67 0.00 2.70 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 0.00 129 K 8.03 3.82 0.00 1.47 1.35 0.00 1.32 0.00 0.00 1.51 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.27 7.81 130 F 8.46 4.10 0.00 3.31 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 0.00 131 L 8.16 3.91 0.00 2.07 1.91 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.47 4.35 0.00 2.96 2.87 0.00 0.00 6.97 7.18 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 0.00 133 C 8.16 4.12 0.00 3.11 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 0.00 134 I 7.41 3.65 1.67 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 1.37 -0.23 0.64 0.00 0.00 135 N 8.38 4.54 0.00 2.87 2.89 0.00 0.00 7.09 7.95 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 0.00 136 D 8.49 4.50 0.00 2.74 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 0.00 137 T 7.78 4.27 4.19 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 1.08 0.00 0.00 138 A 7.74 4.39 1.53 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 0.00 0.00 139 S 8.13 4.18 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 C 8.06 3.95 0.00 2.82 2.55 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 0.00 141 F 8.04 4.19 0.00 3.53 3.18 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 0.00 0.00 0.00 0.00 142 K 8.37 4.02 0.00 1.63 1.71 0.00 1.43 0.00 0.00 0.72 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.14 1.39 7.81 143 D 8.27 4.43 0.00 2.73 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 0.00 144 N 7.38 4.85 0.00 2.87 2.87 0.00 0.00 7.22 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 0.00 145 G 8.03 4.09 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 0.00 0.00 0.00 146 A 8.23 3.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 9.11 4.60 0.00 1.51 1.70 1.02 0.69 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 0.00 148 T 7.33 5.56 4.02 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 1.06 0.00 0.00 149 L 8.04 4.37 0.00 0.27 0.41 -0.18 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.89 4.77 0.00 1.69 1.74 0.00 3.22 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.60 0.00 151 F 7.96 5.20 0.00 3.04 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 0.00 152 G 6.36 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.66 5.16 0.00 2.35 2.33 0.00 0.00 7.46 6.78 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 0.00 154 L 8.33 4.30 0.00 1.64 1.70 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.96 4.22 0.00 1.68 1.71 1.04 0.67 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 0.00 156 T 7.82 4.52 4.23 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 1.19 0.00 0.00 157 G 8.53 3.85 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 0.00 158 S 8.36 4.37 0.00 3.89 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 0.00 159 N 7.90 4.99 0.00 2.79 2.90 0.00 0.00 6.86 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.22 3.68 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 0.64 0.00 0.00 0.93 0.00 0.00 161 G 8.93 3.98 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 0.00 0.00 0.00 162 N 7.95 4.57 0.00 2.76 2.87 0.00 0.00 6.93 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 0.00 163 Y 8.99 4.36 0.00 2.79 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 9.07 5.16 0.00 1.59 1.35 1.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 165 L 9.62 5.30 0.00 1.92 1.58 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 166 G 9.21 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.65 4.64 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 0.29 0.00 0.00 0.48 0.00 0.00 168 G 8.48 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 9.24 5.38 0.00 2.95 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 0.00 170 P 0.00 4.61 0.00 2.28 2.40 0.00 4.11 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 171 S 7.53 4.55 0.00 4.06 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 *173 E 8.86 4.15 0.00 2.05 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 2.29 2.32 0.00 174 A 7.91 4.18 1.62 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 0.00 0.00 175 I 7.33 3.16 1.58 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.32 0.70 0.00 0.00 176 E 8.08 3.90 0.00 1.97 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 2.36 2.38 0.00 177 K 8.36 3.96 0.00 1.81 2.02 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.63 7.81 178 T 8.02 3.73 4.49 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 0.00 0.00 0.00 0.80 0.00 0.00 179 Y 8.12 3.79 0.00 3.02 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 0.00 180 D 8.10 4.31 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 181 E 7.89 3.98 0.00 1.99 1.78 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 2.23 2.25 0.00 182 L 7.88 3.62 0.00 1.28 1.04 0.51 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.38 3.44 0.00 1.64 1.65 0.92 0.83 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 0.00 184 A 7.48 4.71 1.23 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 0.00 0.00 185 H 7.78 4.91 0.00 3.22 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 S 8.56 4.15 0.00 4.09 4.10 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 0.00 187 S 8.32 4.13 0.00 3.99 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 0.00 188 Y 7.96 3.85 0.00 2.89 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 0.00 189 K 7.86 3.94 0.00 2.00 1.88 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.59 7.81 190 E 8.19 4.09 0.00 2.11 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 0.00 2.42 2.35 0.00 191 L 7.49 2.97 0.00 1.48 1.21 -0.89 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 *193 T 7.96 4.31 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 194 F 7.65 4.90 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 A 7.18 4.84 0.65 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 0.00 196 K 8.70 4.43 0.00 1.89 1.69 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.39 7.81 197 V 8.55 4.27 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 0.94 0.00 0.00 1.01 0.00 0.00 198 N 8.87 4.86 0.00 2.84 2.89 0.00 0.00 6.93 8.34 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 *200 R 7.82 4.45 0.00 1.93 1.92 0.00 3.11 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 201 N 9.04 5.10 0.00 2.68 2.66 0.00 0.00 6.63 6.97 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 0.00 202 I 8.60 4.99 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.64 0.94 0.00 0.00 203 I 9.16 4.90 1.92 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 1.13 0.76 0.93 0.00 0.00 204 K 8.95 4.58 0.00 2.02 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.29 7.81 205 I 8.14 4.20 1.94 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 1.17 1.02 1.06 0.00 0.00 206 L 8.48 4.27 0.00 1.64 1.61 0.74 0.66 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 * Residues marked with a * may have inaccurate shift predictions.