NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3348 8.2993 121.8018 55.7838 32.5648 173.6074 7 L 4.4113 7.7566 119.6786 52.9002 43.3119 175.1088 8 A 4.4318 8.7829 125.8159 52.6159 20.4832 177.4875 9 V 4.9399 8.8042 121.1732 61.0053 35.3891 174.1959 10 A 5.2502 8.3533 126.3257 48.8272 22.9548 174.9617 11 V 4.5438 8.1093 119.9668 60.9603 34.4258 174.4254 12 V 4.5023 9.1201 127.7675 61.7318 34.0512 173.4591 13 C 5.2255 8.1156 126.7719 57.3275 32.6363 173.8459 14 S 4.2362 8.9252 111.6514 61.6673 62.7699 177.1617 15 S 4.7930 8.2459 111.1597 57.3506 64.1905 173.0593 16 N 4.0070 8.0566 118.6051 54.2039 35.6992 172.2347 *18 N 4.5567 7.0252 118.0705 52.3568 41.5899 175.9362 19 R 3.7618 7.6424 115.1204 59.9775 31.2002 178.4194 20 S 3.7250 8.1160 109.2444 59.9501 63.4280 175.5891 *22 E 4.1878 8.2603 120.6553 56.1516 31.3553 177.7409 23 A 3.9967 8.2226 120.3539 55.4495 18.5232 178.7804 24 H 3.8844 8.1768 116.9967 60.2321 29.7941 175.6956 25 N 4.1232 8.4953 117.2901 57.4713 38.5074 175.9003 26 F 3.7191 8.3900 116.7843 61.0260 39.2454 177.5395 27 L 4.1586 8.4137 117.3642 59.0229 41.0188 179.1815 28 A 3.8701 8.9169 118.6841 55.7276 18.0536 179.4107 29 K 4.2125 8.5855 117.6180 59.3833 32.6043 178.6915 30 K 4.2109 8.3782 117.5766 57.1983 32.2485 177.4691 31 G 3.8143 9.2718 106.9894 45.9907 0.0000 173.6217 32 F 4.4887 7.5229 117.2734 56.6512 40.0309 175.7620 33 N 4.8967 8.7470 122.7339 52.6459 38.6109 173.1732 34 V 4.9284 8.2174 123.7232 59.5428 34.2967 175.2196 35 R 4.8105 8.5423 121.7643 54.2948 34.0934 174.6299 36 S 5.3049 8.0050 114.9319 55.9163 65.6592 172.5391 37 Y 5.5901 7.8508 120.3280 55.2695 41.9770 174.0919 38 G 5.0321 8.7016 105.0371 45.3923 0.0000 173.2477 39 T 4.1811 8.7536 109.1612 61.5613 71.1486 174.3246 40 G 4.0356 8.2962 109.3097 46.5815 0.0000 173.7112 41 E 4.3545 8.9944 118.2833 59.0695 29.6133 176.8900 42 R 4.8735 7.5643 113.6616 54.6100 35.0381 174.5196 43 V 3.9327 8.0487 119.6009 62.5558 32.9574 175.3131 44 K 5.7444 8.2782 124.7989 55.7878 35.3537 174.9720 45 L 5.0571 8.5836 123.3568 51.5229 45.9957 173.7348 46 P 4.1727 0.0000 0.0000 63.8696 31.3612 175.2347 47 G 4.1872 9.3536 110.2738 45.4531 0.0000 175.4645 *49 A 4.2307 7.5873 124.4342 51.2283 20.2112 176.4868 50 F 4.7105 8.8513 111.7668 57.6000 38.7896 176.1248 51 D 4.4632 6.7198 119.7446 50.8761 39.8418 175.7594 52 K 4.5155 7.0524 118.9187 55.9827 33.4496 172.1627 53 P 5.0941 0.0000 0.0000 62.8381 33.5282 176.6440 54 N 4.8998 8.9657 117.1233 51.9431 40.2231 174.9523 55 V 4.8581 7.8797 122.1213 61.7038 34.8875 173.9847 56 Y 4.7612 8.3801 120.9816 56.3804 42.9562 174.0518 57 E 4.3141 8.8777 123.2485 56.0218 31.1207 177.3605 58 F 4.0209 8.8628 122.1962 57.9184 38.4971 176.3769 59 G 4.1625 8.0160 109.4976 44.9359 0.0000 174.2037 60 T 3.9253 7.8854 109.8660 61.5836 69.3834 174.0603 61 K 4.0089 8.3755 123.5793 56.2671 33.2408 177.2575 62 Y 4.0773 7.8120 122.5253 61.8107 37.3833 179.0686 63 E 3.9731 8.2618 119.3199 59.6500 29.8146 178.4922 64 D 4.5834 8.6588 118.7055 56.6560 41.1368 178.7864 65 I 3.6300 8.1917 120.6559 63.8962 36.8889 177.7010 66 Y 4.2120 7.9867 120.5359 60.5614 38.8118 177.0484 67 R 3.7499 7.7365 118.5290 59.7589 29.9057 177.4743 68 D 4.3780 7.9299 115.8148 57.5512 41.4581 178.1305 69 L 4.0884 7.8971 118.9896 57.7365 41.4610 178.8136 70 E 3.9317 8.2392 118.4189 59.5386 29.6217 178.9465 71 S 4.2194 7.8948 111.6699 58.8602 63.2556 174.6402 72 K 4.5405 8.4102 119.0500 56.7977 32.3188 178.6819 73 D 4.7166 9.1937 128.4904 56.8206 39.1885 178.0673 74 K 4.2486 7.5794 121.1922 59.0437 32.9191 176.0233 75 E 4.2327 8.1622 120.1838 57.0879 29.5011 178.7066 76 F 3.6357 7.4045 119.4467 61.2426 40.5840 177.8472 77 Y 4.7504 8.0572 116.3476 60.9126 37.6316 177.4939 78 T 4.2755 8.3852 109.5023 63.3563 69.2677 175.9037 79 Q 4.2096 7.7871 121.9585 58.0533 29.5905 175.8907 80 N 4.6312 7.7065 115.3084 52.6716 37.8257 174.5336 81 G 4.3588 8.2161 113.8426 47.4363 0.0000 177.3000 82 L 3.7375 7.5745 118.7810 57.3140 41.9451 178.6929 83 L 4.2303 8.1440 118.8029 58.2873 41.8801 180.1509 84 H 4.1281 8.5698 116.3730 56.6151 29.1540 176.6275 *86 L 3.9793 7.9370 119.1624 53.9056 43.4595 178.6259 87 D 4.0004 7.6749 117.2269 56.7291 41.2121 177.8138 88 R 3.8661 7.7715 119.3079 59.2661 29.9212 178.2689 89 N 4.0624 7.6267 115.9280 56.0433 38.3638 177.2164 90 R 4.3429 6.8762 114.5994 57.0360 29.6073 176.8382 91 R 4.4048 7.5122 117.6504 56.5432 31.5442 176.2148 92 I 4.0520 8.0160 118.7793 61.1199 38.3252 175.1703 93 K 4.6136 7.3695 120.4604 54.5623 34.1134 177.2943 94 K 4.1685 8.4832 124.2660 58.0326 32.6822 176.2067 95 C 3.9068 7.2431 110.5662 56.4449 31.1425 171.7748 96 P 4.6855 0.0000 0.0000 62.9377 31.7396 175.3362 97 E 5.0168 9.5359 117.9567 54.7043 33.0905 174.4617 98 R 3.7442 8.3807 122.4189 55.5538 30.3281 175.8273 99 F 4.0198 9.9921 130.4178 61.7199 39.5546 177.2223 100 Q 3.4436 8.2028 115.7954 58.3000 28.7464 177.3136 101 D 4.7361 7.0528 116.6649 51.6941 40.3907 173.9920 102 T 4.2967 7.0562 114.4742 60.9184 70.0988 173.5647 103 K 4.3995 8.5916 128.1518 56.7289 32.0226 176.4989 104 E 4.4115 7.3428 118.6116 54.6946 31.1221 175.5585 105 Q 3.9261 7.5484 117.9150 54.0601 31.3886 174.1419 106 F 5.0664 9.0958 117.8800 56.1626 42.6792 174.2909 107 D 5.0423 9.2604 119.4810 55.3228 43.3353 177.2106 108 I 5.1087 7.8084 118.6333 59.5753 41.5211 174.2722 109 I 4.6406 9.7582 128.7272 59.4634 40.0101 174.6993 110 V 4.7339 8.6755 128.6685 61.4395 33.3035 174.3108 111 T 4.9072 8.9653 119.7016 60.5322 70.6546 175.8396 112 V 4.8329 8.2143 117.0581 61.6718 32.9437 175.5389 113 E 4.8422 7.8405 121.1475 53.0947 33.1557 175.2184 114 E 3.9418 8.3001 122.9157 59.5465 29.4201 179.5163 115 R 3.9130 7.9348 118.0964 59.3689 30.2475 178.4604 116 V 3.5798 7.7842 117.5643 66.0763 31.6156 176.8248 117 Y 4.0579 8.4169 119.6953 61.2273 38.3919 178.2438 118 D 4.4834 8.0940 117.2317 56.7825 40.9261 178.2606 119 L 4.2467 7.4071 119.2000 57.2380 41.8822 178.9212 120 V 3.7576 7.9022 118.0282 65.6933 31.4598 178.0735 121 V 3.7274 7.2475 115.9397 63.3719 31.8011 175.5282 *123 H 4.4656 8.0580 114.2895 55.6624 31.2612 173.0818 *125 E 4.2436 7.9935 113.4069 56.2014 30.5847 176.1212 126 S 4.2037 7.8368 114.1874 59.3909 64.2069 173.1690 *128 E 3.9917 7.8615 120.5067 55.8183 29.0218 175.0541 129 S 4.5070 8.5270 122.7459 57.8804 63.8699 175.7222 130 V 3.7918 8.5975 114.5362 65.3422 31.6912 178.7672 131 D 4.4146 7.8451 118.0502 55.5876 40.0997 177.2925 132 N 4.2473 8.0772 116.2625 53.8699 37.6534 173.3116 133 R 4.8104 7.8996 112.2024 54.0479 31.7491 174.3771 134 P 4.8054 0.0000 0.0000 63.1477 32.6989 175.7796 135 V 4.6674 7.9975 119.2356 60.9135 34.8880 172.5970 136 H 5.0188 9.3804 121.6641 54.1686 30.6532 173.7101 137 V 4.6200 8.2601 124.2914 61.4775 32.9750 174.2743 138 L 5.1536 9.3014 128.6061 52.9015 45.4082 175.1221 139 N 6.0339 9.0874 121.1832 51.1071 41.4985 173.2292 140 V 4.5869 8.2235 125.7221 61.0008 34.3020 173.9931 141 D 5.4253 9.0054 128.6148 53.6655 41.5522 176.4586 142 V 4.4720 8.1166 122.2504 59.8640 34.3880 175.2447 143 V 3.7142 8.5345 124.4338 63.0456 32.0269 175.4699 144 D 4.4452 8.5164 122.7211 54.6341 40.8182 175.5745 145 N 4.5476 8.0872 116.8490 52.4983 39.5422 175.9659 146 A 4.4611 8.5864 127.8337 54.4575 18.6097 178.9960 147 E 4.2408 8.2516 116.6776 58.2456 29.8997 177.3755 148 D 4.5386 7.9515 116.5656 55.8979 41.2822 177.6417 149 A 4.2390 7.7656 122.3843 54.5972 18.4269 179.7641 150 L 4.2213 7.5365 115.3451 55.5107 41.3223 179.3893 *152 G 3.7812 8.3117 109.0496 45.7180 0.0000 175.7284 153 A 3.7275 8.0583 122.7239 54.6547 18.3020 179.2975 154 F 3.7245 7.3643 116.0304 60.8014 38.8116 178.2301 155 V 3.6674 7.7017 115.2866 66.2509 31.5762 177.3999 156 I 3.7834 7.7673 118.3758 64.8145 37.2559 178.3029 157 T 3.9789 8.4844 116.6910 66.5173 68.0884 176.2075 158 D 4.2775 8.2180 115.5850 56.1664 41.3540 176.7802 *160 I 3.9028 7.5885 119.2178 61.3580 39.5795 176.2886 161 N 4.7338 7.7434 119.5029 53.7769 36.0604 174.5390 *164 A 4.3890 7.7673 123.1906 50.9989 21.2852 177.6716 165 K 4.5767 7.7391 114.9548 56.8332 31.5350 176.7880 166 S 4.6319 7.6784 113.6287 57.3842 64.5142 173.8662 167 T 4.0972 8.7116 122.9522 65.0695 67.4362 173.6420 168 D 4.7178 7.5728 118.3960 51.7599 42.0700 174.5085 169 L 3.8801 8.3803 125.9218 57.9603 42.3406 178.8483 170 D 4.5583 8.1748 115.6382 56.5238 40.5498 176.0639 171 N 4.8352 7.6146 114.9110 54.6789 41.2833 176.2424 172 D 4.4915 8.0831 119.1448 55.7881 39.6620 178.2177 173 I 3.3952 7.8706 120.4977 64.5641 37.5831 176.9173 174 D 4.4907 7.8390 117.9400 56.5590 40.7815 177.3784 175 E 4.4233 8.8011 120.1649 57.6272 30.3496 177.6822 176 L 4.0139 7.8560 117.9237 57.7599 41.8745 179.1361 177 I 3.8582 7.8387 119.8529 64.4302 37.3185 177.9245 178 Q 4.0816 8.1966 119.7984 59.6628 28.6866 178.6108 179 E 4.2489 8.4699 119.0196 58.4701 29.4483 178.3488 180 F 4.4549 8.5879 120.7629 60.4363 39.4599 176.7008 181 E 4.1266 8.1700 117.3776 58.0871 29.3368 178.1781 182 E 3.8639 7.3400 118.0431 59.2714 29.9823 178.3582 183 R 4.0467 8.2894 117.4343 58.1038 30.1073 176.9382 184 R 4.2228 6.9597 116.0984 56.2871 31.1073 176.8054 185 K 3.9261 7.8317 113.5601 57.5153 29.0392 172.3829 186 R 4.5817 7.9500 118.8495 54.7280 34.8906 175.0222 187 V 4.3645 8.2355 117.6729 61.6134 32.9058 175.1237 188 I 4.9707 8.9641 129.7332 58.1653 37.1671 175.3424 189 L 4.0718 8.0911 126.3625 55.4015 42.8791 175.3368 190 H 5.7649 9.3270 120.4471 52.8096 34.1162 172.2092 191 S 5.4631 7.9194 123.9716 58.3368 64.6988 176.5857 192 V 3.9816 7.9456 119.0019 60.5991 32.6230 175.3707 193 L 4.5815 8.4607 123.8243 52.6772 46.0152 175.1380 194 F 5.1128 8.1689 117.3310 55.7741 42.2084 175.1460 195 Y 4.4553 9.1486 121.0490 58.3385 37.8091 175.9852 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 K 8.30 4.33 0.00 1.76 1.86 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 7 L 7.76 4.41 0.00 2.11 1.66 0.94 0.46 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 8 A 8.78 4.43 1.49 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 0.00 0.00 9 V 8.80 4.94 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 0.78 0.00 0.00 0.89 0.00 0.00 10 A 8.35 5.25 0.15 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 0.00 0.00 11 V 8.11 4.54 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 0.91 0.00 0.00 0.82 0.00 0.00 12 V 9.12 4.50 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 0.79 0.00 0.00 0.68 0.00 0.00 13 C 8.12 5.23 0.00 3.06 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 14 S 8.93 4.24 0.00 3.99 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 15 S 8.25 4.79 0.00 3.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.06 4.01 0.00 3.17 3.06 0.00 0.00 6.96 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 *18 N 7.03 4.56 0.00 2.82 2.69 0.00 0.00 7.02 7.65 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 19 R 7.64 3.76 0.00 1.92 1.94 0.00 3.22 0.00 0.00 3.46 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 20 S 8.12 3.73 0.00 3.94 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 *22 E 8.26 4.19 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 23 A 8.22 4.00 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 24 H 8.18 3.88 0.00 3.37 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.50 4.12 0.00 2.80 3.02 0.00 0.00 7.07 7.71 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 26 F 8.39 3.72 0.00 3.31 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 27 L 8.41 4.16 0.00 1.94 1.86 0.82 0.76 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 0.00 0.00 28 A 8.92 3.87 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 29 K 8.59 4.21 0.00 1.87 1.82 0.00 1.40 0.00 0.00 1.42 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.40 7.81 30 K 8.38 4.21 0.00 2.14 2.01 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.34 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.56 7.81 31 G 9.27 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 32 F 7.52 4.49 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.75 4.90 0.00 2.89 2.85 0.00 0.00 6.49 7.71 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 34 V 8.22 4.93 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 0.91 0.00 0.00 0.78 0.00 0.00 35 R 8.54 4.81 0.00 1.97 1.77 0.00 3.51 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.12 0.00 36 S 8.00 5.30 0.00 3.77 3.78 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 37 Y 7.85 5.59 0.00 3.06 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 38 G 8.70 5.03 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 0.00 39 T 8.75 4.18 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 1.20 0.00 0.00 40 G 8.30 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 0.00 0.00 0.00 41 E 8.99 4.35 0.00 2.06 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 0.00 2.39 2.33 0.00 42 R 7.56 4.87 0.00 1.62 2.10 0.00 3.30 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 43 V 8.05 3.93 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 0.85 0.00 0.00 0.15 0.00 0.00 44 K 8.28 5.74 0.00 1.79 1.76 0.00 1.21 0.00 0.00 2.41 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.36 7.81 45 L 8.58 5.06 0.00 1.67 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.17 0.00 2.27 2.17 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 47 G 9.35 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 0.00 0.00 0.00 0.00 *49 A 7.59 4.23 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 50 F 8.85 4.71 0.00 3.24 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 51 D 6.72 4.46 0.00 2.41 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 0.00 0.00 0.00 0.00 52 K 7.05 4.52 0.00 1.76 1.63 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.36 7.81 53 P 0.00 5.09 0.00 2.19 2.10 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 54 N 8.97 4.90 0.00 2.92 3.07 0.00 0.00 6.85 7.25 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 55 V 7.88 4.86 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 0.78 0.00 0.00 0.89 0.00 0.00 56 Y 8.38 4.76 0.00 2.88 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 57 E 8.88 4.31 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 58 F 8.86 4.02 0.00 3.18 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 59 G 8.02 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 0.00 0.00 0.00 60 T 7.89 3.93 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 1.37 0.00 0.00 61 K 8.38 4.01 0.00 2.01 1.74 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.43 7.81 62 Y 7.81 4.08 0.00 3.13 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 63 E 8.26 3.97 0.00 2.07 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 2.46 2.52 0.00 64 D 8.66 4.58 0.00 2.85 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 65 I 8.19 3.63 1.73 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.62 0.14 0.00 0.00 66 Y 7.99 4.21 0.00 3.02 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 67 R 7.74 3.75 0.00 1.98 2.19 0.00 3.19 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 68 D 7.93 4.38 0.00 2.86 2.99 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 69 L 7.90 4.09 0.00 1.87 1.58 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.24 3.93 0.00 1.73 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 2.13 1.89 0.00 71 S 7.89 4.22 0.00 4.06 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 72 K 8.41 4.54 0.00 2.03 0.89 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.27 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.40 7.81 73 D 9.19 4.72 0.00 2.43 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 74 K 7.58 4.25 0.00 1.99 1.85 0.00 1.68 0.00 0.00 1.94 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 75 E 8.16 4.23 0.00 2.17 1.84 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 2.29 2.36 0.00 76 F 7.40 3.64 0.00 2.97 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 77 Y 8.06 4.75 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 87 D 7.67 4.00 0.00 2.49 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.77 3.87 0.00 1.81 1.76 0.00 3.09 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 89 N 7.63 4.06 0.00 1.63 1.61 0.00 0.00 6.85 7.66 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 90 R 6.88 4.34 0.00 1.93 2.08 0.00 2.86 0.00 0.00 2.72 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 91 R 7.51 4.40 0.00 1.89 1.92 0.00 3.04 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 92 I 8.02 4.05 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.73 0.68 0.00 0.00 93 K 7.37 4.61 0.00 1.78 1.85 0.00 1.85 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.64 1.43 7.81 94 K 8.48 4.17 0.00 1.89 1.78 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.48 7.81 95 C 7.24 3.91 0.00 2.99 2.66 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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 0.00 132 N 8.08 4.25 0.00 2.95 2.89 0.00 0.00 6.92 7.65 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 0.00 133 R 7.90 4.81 0.00 2.04 2.13 0.00 3.06 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 134 P 0.00 4.81 0.00 1.99 2.13 0.00 3.90 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 135 V 8.00 4.67 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 0.21 0.00 0.00 0.94 0.00 0.00 136 H 9.38 5.02 0.00 3.07 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.26 4.62 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 0.73 0.00 0.00 0.78 0.00 0.00 138 L 9.30 5.15 0.00 1.54 1.50 0.82 0.36 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 0.00 139 N 9.09 6.03 0.00 2.67 2.41 0.00 0.00 6.49 7.54 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 0.00 140 V 8.22 4.59 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 1.10 0.00 0.00 0.93 0.00 0.00 141 D 9.01 5.43 0.00 2.59 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 0.00 142 V 8.12 4.47 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 0.75 0.00 0.00 0.97 0.00 0.00 143 V 8.53 3.71 2.22 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 0.99 0.00 0.00 0.96 0.00 0.00 144 D 8.52 4.45 0.00 2.68 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 0.00 145 N 8.09 4.55 0.00 2.87 2.66 0.00 0.00 7.10 8.32 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 0.00 146 A 8.59 4.46 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 0.00 147 E 8.25 4.24 0.00 2.06 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 2.37 2.41 0.00 148 D 7.95 4.54 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 0.00 149 A 7.77 4.24 1.41 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 0.00 0.00 0.00 150 L 7.54 4.22 0.00 1.83 1.84 1.02 0.88 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 *152 G 8.31 3.78 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 0.00 0.00 0.00 153 A 8.06 3.73 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 0.00 154 F 7.36 3.72 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 7.70 3.67 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 1.10 0.00 0.00 0.95 0.00 0.00 156 I 7.77 3.78 1.85 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 1.48 0.75 0.80 0.00 0.00 157 T 8.48 3.98 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 1.41 0.00 0.00 158 D 8.22 4.28 0.00 2.87 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 *160 I 7.59 3.90 1.49 0.00 0.00 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 1.23 0.65 0.25 0.00 0.00 161 N 7.74 4.73 0.00 3.05 2.98 0.00 0.00 6.98 8.06 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 *164 A 7.77 4.39 1.67 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 0.00 0.00 165 K 7.74 4.58 0.00 1.93 1.93 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.67 1.37 7.81 166 S 7.68 4.63 0.00 3.82 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 0.00 167 T 8.71 4.10 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 1.22 0.00 0.00 168 D 7.57 4.72 0.00 2.64 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 0.00 0.00 0.00 0.00 169 L 8.38 3.88 0.00 1.67 1.66 0.69 1.12 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 0.00 170 D 8.17 4.56 0.00 2.74 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 0.00 171 N 7.61 4.84 0.00 3.00 2.72 0.00 0.00 6.60 8.23 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 0.00 172 D 8.08 4.49 0.00 3.07 2.94 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 0.00 173 I 7.87 3.40 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.19 0.97 0.00 0.00 174 D 7.84 4.49 0.00 2.84 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 0.00 175 E 8.80 4.42 0.00 2.02 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 2.23 2.38 0.00 176 L 7.86 4.01 0.00 1.61 1.69 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 177 I 7.84 3.86 1.87 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 1.33 0.80 0.98 0.00 0.00 178 Q 8.20 4.08 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 179 E 8.47 4.25 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 180 F 8.59 4.45 0.00 3.30 3.16 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 0.00 181 E 8.17 4.13 0.00 2.06 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 2.47 2.58 0.00 182 E 7.34 3.86 0.00 2.21 2.07 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 2.31 2.33 0.00 183 R 8.29 4.05 0.00 1.78 1.84 0.00 3.22 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 184 R 6.96 4.22 0.00 1.46 1.59 0.00 3.23 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.76 0.00 185 K 7.83 3.93 0.00 1.73 1.89 0.00 1.50 0.00 0.00 1.64 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.46 7.81 186 R 7.95 4.58 0.00 1.70 1.79 0.00 3.08 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 187 V 8.24 4.36 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 0.85 0.00 0.00 0.90 0.00 0.00 188 I 8.96 4.97 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 2.36 0.95 0.00 0.00 189 L 8.09 4.07 0.00 1.04 1.10 0.56 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 190 H 9.33 5.76 0.00 3.05 3.17 0.00 5.89 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 7.92 5.46 0.00 3.98 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 0.00 192 V 7.95 3.98 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 0.46 0.00 0.00 0.79 0.00 0.00 193 L 8.46 4.58 0.00 1.16 1.26 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.17 5.11 0.00 2.87 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 0.00 195 Y 9.15 4.46 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.