NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2353 8.1693 122.4911 55.3112 42.3257 175.7270 4 T 4.3744 7.9399 115.5913 58.2491 71.5287 175.1306 5 R 3.8480 9.3411 123.3529 59.7657 31.0316 179.5979 6 D 4.5513 8.0562 115.2954 56.4089 40.8858 177.2816 7 S 4.4287 7.6484 112.6468 59.2326 63.7194 174.8405 8 L 4.2883 7.4649 120.9468 54.5328 41.9690 176.6237 9 L 4.3818 8.4090 121.5446 54.0460 42.7794 177.7316 10 T 4.1255 8.2818 112.5658 61.6436 70.6446 175.1521 11 L 4.0727 8.5775 121.3988 58.3165 41.4835 179.8378 12 E 3.9683 8.1456 117.5013 59.3603 29.3106 179.1135 13 A 4.0040 7.9425 119.6686 55.3427 18.7538 178.7859 14 Y 4.1100 8.3137 117.9642 60.6714 38.9858 177.8804 15 A 3.9289 8.2261 121.8088 55.0157 18.2037 179.7894 16 K 4.0314 7.6688 116.5338 58.7987 32.3920 178.9443 17 V 4.1133 7.2913 110.3194 60.9258 31.9969 177.6291 18 R 3.2099 6.9763 119.1779 59.3340 29.5037 178.4850 19 R 3.9203 7.7706 117.1015 59.5245 30.1257 178.9737 20 Q 4.0102 7.9466 117.2358 58.9500 28.7047 178.5133 21 E 4.0041 8.3918 119.8362 59.4098 29.4747 178.5909 22 H 4.1124 8.5007 118.2002 59.3919 30.0257 177.0401 23 A 3.8716 7.6453 121.9466 55.2560 18.2677 179.6053 24 R 3.8132 8.0903 117.2618 59.4946 30.0843 178.8699 25 V 3.5450 7.8482 118.1789 65.5187 31.1916 178.0945 26 I 3.5767 7.4958 118.8297 64.1108 37.1747 177.8747 27 A 4.0842 7.7599 121.1705 55.5158 18.2977 178.9949 28 H 4.0292 8.2001 116.6019 59.5560 29.9444 177.5121 29 K 4.0722 8.5319 119.9898 58.7966 31.5725 179.3117 30 K 4.0916 7.7068 117.8915 58.5873 32.1521 178.2776 31 R 4.4299 7.9178 116.9748 56.1453 30.2221 177.1957 32 R 4.7334 8.0614 117.2087 55.4721 33.0981 174.9530 33 A 5.1650 8.0583 120.4273 50.4851 20.8582 176.6584 34 V 4.5018 8.8058 120.6902 61.3060 35.2916 174.3943 35 S 5.1587 8.7377 122.5764 57.2037 64.9290 173.9358 36 I 4.1547 8.4214 124.1875 60.2213 39.1548 176.0664 37 G 4.1078 8.5028 119.1243 45.8343 0.0000 171.7254 38 N 4.5396 8.7421 115.3397 54.6823 39.2885 175.0605 39 H 5.5632 8.7375 113.7607 54.0016 31.3504 172.9407 40 L 5.1320 7.8391 118.1163 52.8226 45.0729 175.7452 41 R 4.9994 9.1057 121.9671 54.5512 33.7540 174.1888 42 L 5.0384 9.2946 124.7049 52.9239 44.5091 175.4253 43 L 4.8760 8.7790 125.0311 53.1557 44.5739 175.2997 44 F 4.5891 9.0968 126.6627 57.2982 39.2962 175.4512 45 E 4.6081 9.2477 124.9181 55.9989 30.8181 175.7933 46 D 4.7306 8.8346 121.1580 51.1792 42.7360 175.6574 47 E 3.9484 8.8027 116.3945 59.8957 29.4560 179.0333 48 T 3.8252 7.9067 116.4692 66.7994 68.6426 176.5349 49 T 3.9971 8.3648 111.6557 64.8187 68.8060 176.7252 50 I 3.6897 8.0519 122.8359 63.8958 37.1852 178.2016 51 R 3.7282 8.2616 119.9837 59.5013 29.8961 177.8741 52 Y 4.0807 7.8890 118.8881 60.7524 38.5609 177.9458 53 Q 3.6018 7.6906 119.1894 58.9536 29.1713 177.8827 54 I 3.5318 7.0769 119.5776 64.7769 37.4072 177.8851 55 H 4.0504 7.7204 116.7882 58.4837 28.1758 177.6902 56 E 4.1519 7.3906 116.8912 57.0918 28.8184 178.5854 *58 L 4.2204 7.8133 121.3628 55.2332 44.0500 178.7307 59 H 4.1325 8.4478 118.1316 59.3076 30.0198 177.2056 60 I 3.7324 7.8955 118.1701 63.7342 37.8220 176.2720 61 E 4.2834 8.1526 116.3809 55.4310 30.1485 175.6862 62 K 3.8180 7.4751 117.4825 57.3794 29.9396 176.0073 63 I 4.1467 7.9216 118.8952 60.1634 38.0094 176.3981 64 F 4.9746 7.8021 118.1029 55.3514 39.4243 174.7928 65 D 4.7009 7.3408 121.9825 52.4837 41.8671 176.6023 66 E 3.9058 8.6251 122.4133 59.7179 29.7045 178.9362 67 D 4.4334 8.1186 118.3990 57.4166 41.0921 178.8574 68 G 3.6135 8.5235 106.2789 47.8601 0.0000 175.8282 69 I 3.7319 7.8918 122.2047 64.2385 37.1150 178.3867 70 Q 3.9856 8.5101 120.6011 58.9351 28.8145 178.0752 71 A 3.9608 8.3904 122.4038 55.2494 17.9927 179.4830 72 E 4.0147 8.1151 116.7547 59.2810 29.4521 179.4327 73 L 4.0257 7.8453 119.9499 58.3779 42.0242 178.5798 74 D 4.3498 8.1065 117.3922 57.5406 40.8085 178.5421 75 A 3.9496 7.8858 120.2003 54.6201 18.6031 178.3696 76 Y 4.3637 7.5355 112.4313 58.6071 39.0624 177.7189 77 L 3.9321 8.0499 121.9610 57.8510 41.8449 177.1216 78 P 4.3090 0.0000 0.0000 65.1622 31.3307 177.7070 79 L 3.3746 7.5485 115.8930 54.3724 41.7878 177.0010 80 V 3.8151 7.0130 120.2251 61.2084 31.9187 173.9120 81 P 4.4751 0.0000 0.0000 63.6101 31.6044 175.9405 82 D 4.6357 9.9638 120.7853 54.0901 41.7593 176.3995 83 G 3.8935 7.7716 111.2733 46.2815 0.0000 175.5305 84 S 5.1187 8.2057 115.3287 57.5565 64.5592 173.3902 85 N 5.6336 8.1852 115.5780 51.6365 40.6664 173.1898 86 L 5.1393 9.1667 119.0077 53.0492 45.6252 175.9122 87 K 5.4712 8.9570 120.3898 54.8422 36.3218 175.0752 88 A 5.0808 9.2530 125.5876 50.3351 23.0220 174.7468 89 T 4.7418 8.6529 111.1484 60.2505 71.2500 173.2877 90 L 5.1104 8.4650 125.8794 53.4588 44.2746 175.2159 91 Q 4.7970 9.2390 124.8546 54.1631 32.3336 174.3112 92 I 4.8537 8.3083 122.9520 59.6884 39.3941 174.7538 93 E 4.7750 9.5969 127.5841 54.8644 32.9887 174.0456 94 Y 4.9060 8.6507 122.9904 55.5713 41.7435 175.0411 95 E 4.1027 9.0218 121.0534 59.0357 30.0525 176.0568 96 N 5.1134 7.7467 114.6940 50.6017 41.9908 174.6053 97 E 4.1376 8.6764 118.8271 59.1559 29.5512 179.4552 98 T 3.9310 7.9508 109.9058 64.7394 68.7802 176.6991 99 Q 3.8354 8.2253 120.1695 58.4254 28.9943 178.0420 100 R 3.4392 7.6937 119.4251 59.5021 29.7285 178.5993 101 R 3.8255 7.9327 117.9988 59.2142 29.8338 178.1800 102 A 4.0282 7.7974 119.2707 54.1478 18.3656 178.5713 103 A 4.1555 7.4566 118.7966 53.5979 19.2857 179.4023 104 L 3.8719 7.3842 116.6386 57.9225 41.4811 179.4296 105 A 3.9958 7.8663 120.1214 55.3048 18.1870 179.7849 106 R 3.9509 7.5679 115.1780 58.4528 30.3463 178.1764 107 L 4.4337 7.4054 117.0516 53.2168 41.8523 176.3649 108 V 3.8018 6.7931 118.9060 64.5585 31.8117 176.4442 109 G 4.0204 9.0368 114.7950 45.1059 0.0000 174.5338 110 I 3.7032 7.7925 120.6823 64.1110 37.9177 177.7466 111 E 3.9991 8.2836 119.3756 59.5245 29.3697 178.3883 112 D 4.6117 7.8710 116.5253 56.0722 41.2346 176.8960 113 R 4.9516 8.0398 117.6282 55.9267 31.9597 175.6535 114 V 4.6445 7.8539 120.6806 62.2381 32.9091 174.8699 115 F 5.5445 8.5412 122.0937 55.1186 41.4518 173.7932 116 L 5.1231 8.9466 120.0890 53.2363 45.0628 175.5773 117 R 4.7950 8.7957 121.0880 54.8657 33.6081 173.8891 118 V 4.3286 8.5869 126.8339 62.2496 33.0350 176.2785 119 D 4.4141 9.0432 128.7645 55.6853 42.2864 173.5262 120 D 4.8870 7.1740 111.5248 53.7107 41.2201 174.9976 121 E 4.2340 8.3198 117.5117 54.8895 30.1668 176.5967 122 A 4.1695 8.2708 123.1642 51.4961 18.9469 175.8374 123 P 4.6935 0.0000 0.0000 63.0697 32.4246 175.6964 124 V 4.5589 8.9291 121.8612 61.5383 33.8602 174.0244 125 Y 5.0143 8.9785 125.4753 56.7710 39.0844 175.3874 126 A 3.5777 8.6247 125.3656 52.5526 19.4004 176.8829 127 I 4.2565 8.4480 122.2711 59.3237 38.8545 175.5782 128 A 3.9963 8.5943 129.1334 52.1045 19.2947 177.3455 *143 V 3.6367 8.3100 119.9383 63.3677 31.4842 175.6779 *144 H 4.4898 8.5758 124.2551 54.5686 28.5637 171.4381 145 F 5.0343 7.8462 116.0728 55.9958 41.0078 172.7370 146 L 4.5871 9.2649 119.3848 52.8993 43.8941 175.7997 147 R 5.0237 8.6029 124.3797 54.5209 32.9290 174.1530 148 F 5.1556 9.6432 125.7466 55.8927 41.2291 174.5082 149 E 4.7160 8.9638 124.4378 55.4573 30.2517 175.9329 150 L 4.6499 8.6394 125.6153 53.0306 43.1648 177.3754 151 G 3.9032 8.6735 112.2808 44.9409 0.0000 173.2798 152 D 4.4265 8.7929 119.0940 57.4383 41.1046 179.6630 153 A 4.1425 7.9738 117.5193 53.1723 18.2279 178.8844 *155 K 4.1975 8.2013 119.7563 57.8413 34.2286 178.3674 156 A 3.9919 8.1995 120.3969 55.0965 18.1759 179.8159 157 K 3.8837 8.0561 117.0685 59.4072 32.0330 179.3860 158 L 3.8741 7.7922 119.9724 58.1597 41.9544 178.7047 159 K 3.8580 7.8332 116.7516 59.5710 32.1346 178.3708 160 A 4.3317 7.9193 117.4961 52.4401 18.2987 177.9990 161 G 3.7934 8.1389 106.3841 45.0723 0.0000 174.0191 162 A 4.2083 7.7336 120.8930 50.9836 19.3609 176.5398 163 P 4.2949 0.0000 0.0000 62.9284 32.8336 175.1453 164 L 5.1140 8.4620 124.6795 53.4008 44.4857 175.1745 165 S 5.2405 8.9294 121.3674 56.7300 67.1891 172.8153 166 I 4.5991 8.6085 121.6290 59.6048 41.5956 174.5790 167 G 4.1698 7.4829 114.3676 45.5621 0.0000 170.3576 168 C 6.0686 9.1178 118.7418 57.3576 35.3150 174.4400 169 D 5.3344 8.9767 124.8094 53.2926 40.2749 175.4226 170 H 4.3205 8.6822 118.8049 56.4934 30.4721 174.4018 171 P 4.2902 0.0000 0.0000 65.7339 31.2984 176.9856 172 H 4.7483 8.3178 112.3071 56.5182 29.6368 174.9934 173 Y 4.7378 7.9195 120.4868 55.7266 39.1057 173.4957 174 P 4.7347 0.0000 0.0000 62.8923 32.7922 177.5657 175 I 4.4676 8.8743 126.2371 58.8800 40.3156 175.1958 176 Q 4.5166 8.8184 128.3687 55.5852 29.8527 175.4852 177 A 4.1287 8.9131 126.5906 52.9502 18.9088 176.6199 178 A 4.7562 8.7821 123.2614 49.6738 22.7489 175.3461 179 R 4.4360 8.3977 121.0343 55.7386 30.9363 176.1622 180 I 4.0880 8.8834 128.2296 60.4506 38.2899 175.6995 181 D 4.3271 8.8120 124.6939 54.6520 41.4027 176.3387 182 P 4.1912 0.0000 0.0000 65.7657 31.2216 178.5286 183 D 4.3516 8.0427 117.2987 57.2517 40.6800 178.9214 184 V 3.9341 7.8947 119.2621 65.4616 31.7212 177.5429 185 A 3.7865 8.0553 120.4512 55.2812 17.9185 179.3648 186 A 3.9049 8.0988 118.3494 55.3306 18.7074 179.5613 187 S 4.1423 7.7527 111.2272 61.5208 62.5319 176.3100 188 L 3.8889 8.0061 121.6051 57.7743 41.2398 179.3537 189 A 4.0994 8.1386 120.7688 55.0307 18.0618 179.6835 190 G 3.6248 7.7389 102.4331 47.2309 0.0000 175.1829 191 D 4.5363 7.9396 120.2252 55.3484 41.1433 176.2700 192 L 4.6175 7.3718 120.4064 53.4725 42.4783 176.4043 193 D 4.5175 9.1813 122.3140 53.6147 39.5844 176.1377 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 3 L 8.17 4.24 0.00 1.60 1.69 0.89 0.60 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 4 T 7.94 4.37 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 5 R 9.34 3.85 0.00 1.91 1.97 0.00 3.24 0.00 0.00 3.52 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 6 D 8.06 4.55 0.00 2.72 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 7 S 7.65 4.43 0.00 4.03 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 8 L 7.46 4.29 0.00 1.71 1.69 0.90 0.83 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 9 L 8.41 4.38 0.00 1.54 1.62 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.28 4.13 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 1.24 0.00 0.00 11 L 8.58 4.07 0.00 1.75 1.84 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.15 3.97 0.00 2.06 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 2.37 2.41 0.00 13 A 7.94 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 14 Y 8.31 4.11 0.00 2.95 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 15 A 8.23 3.93 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 16 K 7.67 4.03 0.00 1.87 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 17 V 7.29 4.11 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 0.73 0.00 0.00 0.94 0.00 0.00 18 R 6.98 3.21 0.00 1.35 1.64 0.00 2.70 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 19 R 7.77 3.92 0.00 1.85 1.95 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 20 Q 7.95 4.01 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 21 E 8.39 4.00 0.00 2.28 2.31 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 2.51 2.69 0.00 22 H 8.50 4.11 0.00 3.47 3.52 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.65 3.87 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 24 R 8.09 3.81 0.00 2.02 2.01 0.00 3.08 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 25 V 7.85 3.55 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.70 0.00 0.00 26 I 7.50 3.58 1.89 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 1.33 0.52 0.85 0.00 0.00 27 A 7.76 4.08 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 28 H 8.20 4.03 0.00 3.31 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.53 4.07 0.00 1.90 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.60 7.81 30 K 7.71 4.09 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.66 7.81 31 R 7.92 4.43 0.00 1.75 1.87 0.00 3.03 0.00 0.00 3.13 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 32 R 8.06 4.73 0.00 1.84 2.16 0.00 3.23 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 33 A 8.06 5.16 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.81 4.50 2.28 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 1.00 0.00 0.00 1.03 0.00 0.00 35 S 8.74 5.16 0.00 3.79 3.76 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 36 I 8.42 4.15 1.99 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 1.15 1.32 0.99 0.00 0.00 37 G 8.50 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 0.00 0.00 0.00 38 N 8.74 4.54 0.00 2.39 2.58 0.00 0.00 6.53 8.16 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 39 H 8.74 5.56 0.00 2.76 2.75 0.00 5.56 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.84 5.13 0.00 1.84 1.49 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 41 R 9.11 5.00 0.00 1.65 1.79 0.00 3.26 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.93 0.00 42 L 9.29 5.04 0.00 1.71 1.30 0.93 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.78 4.88 0.00 1.68 1.49 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 44 F 9.10 4.59 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 45 E 9.25 4.61 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 46 D 8.83 4.73 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.80 3.95 0.00 2.21 2.26 0.00 0.00 0.00 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 2.40 0.00 48 T 7.91 3.83 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.10 0.00 0.00 125 Y 8.98 5.01 0.00 2.93 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 0.00 126 A 8.62 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 8.45 4.26 1.75 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 1.13 0.72 0.81 0.00 0.00 128 A 8.59 4.00 1.12 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 0.00 0.00 *143 V 8.31 3.64 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 0.81 0.00 0.00 0.45 0.00 0.00 *144 H 8.58 4.49 0.00 2.97 2.83 0.00 7.29 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 7.85 5.03 0.00 3.18 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 0.00 146 L 9.26 4.59 0.00 1.44 1.09 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.60 5.02 0.00 1.91 1.65 0.00 3.33 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 148 F 9.64 5.16 0.00 3.08 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 0.00 149 E 8.96 4.72 0.00 1.93 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 2.34 2.33 0.00 150 L 8.64 4.65 0.00 1.72 1.63 1.07 0.82 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 0.00 151 G 8.67 3.90 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 0.00 0.00 0.00 152 D 8.79 4.43 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.97 4.14 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *155 K 8.20 4.20 0.00 2.05 1.92 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.61 7.81 156 A 8.20 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.06 3.88 0.00 1.82 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 158 L 7.79 3.87 0.00 1.72 1.76 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.83 3.86 0.00 2.00 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.59 7.81 160 A 7.92 4.33 1.33 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 0.00 161 G 8.14 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.73 4.21 1.25 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 0.00 0.00 0.00 163 P 0.00 4.29 0.00 2.06 1.97 0.00 3.52 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 164 L 8.46 5.11 0.00 1.62 1.36 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.93 5.24 0.00 3.78 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 0.00 166 I 8.61 4.60 1.74 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 1.02 1.70 0.89 0.00 0.00 167 G 7.48 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 0.00 0.00 0.00 168 C 9.12 6.07 0.00 3.10 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 0.00 169 D 8.98 5.33 0.00 2.80 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 0.00 170 H 8.68 4.32 0.00 3.34 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.29 0.00 1.96 2.04 0.00 3.28 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 172 H 8.32 4.75 0.00 3.40 3.48 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 Y 7.92 4.74 0.00 2.92 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 0.00 174 P 0.00 4.73 0.00 2.12 2.11 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 175 I 8.87 4.47 1.81 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.92 0.84 0.00 0.00 176 Q 8.82 4.52 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 177 A 8.91 4.13 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 0.00 178 A 8.78 4.76 1.17 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 0.00 0.00 179 R 8.40 4.44 0.00 1.81 1.81 0.00 3.04 0.00 0.00 3.41 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 180 I 8.88 4.09 1.86 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 1.17 0.57 0.80 0.00 0.00 181 D 8.81 4.33 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.19 0.00 2.12 2.07 0.00 3.57 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 2.09 2.15 0.00 183 D 8.04 4.35 0.00 2.65 2.68 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 0.00 0.00 0.00 0.00 184 V 7.89 3.93 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 1.44 0.00 0.00 0.90 0.00 0.00 185 A 8.06 3.79 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 0.00 186 A 8.10 3.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.75 4.14 0.00 3.82 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 0.00 188 L 8.01 3.89 0.00 1.71 1.46 0.78 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 189 A 8.14 4.10 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 0.00 190 G 7.74 3.62 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 0.00 191 D 7.94 4.54 0.00 2.82 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 0.00 192 L 7.37 4.62 0.00 1.74 1.61 0.91 0.99 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 0.00 193 D 9.18 4.52 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.