NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Y 4.6551 8.1449 121.6999 58.0655 40.0170 173.6375 5 T 4.6434 8.7208 117.3020 61.6749 72.5818 170.4629 6 V 3.9655 7.8947 117.4228 60.8484 34.7333 176.2258 7 K 4.3584 8.3140 116.8735 57.7199 30.6994 176.6753 8 F 4.3980 8.0989 124.3111 61.9651 40.2056 175.3415 9 Q 2.7726 7.6624 116.8379 56.0938 25.1578 171.7107 10 P 4.1136 0.0000 0.0000 61.4643 33.6473 175.5559 11 D 4.9537 8.2495 117.4087 52.0333 42.3323 174.6275 12 P 4.0219 0.0000 0.0000 63.0273 31.8974 176.1517 13 I 3.9539 8.0304 124.5719 61.0577 37.8544 175.5130 14 D 4.2235 8.6351 125.8764 53.7067 41.8888 176.3417 15 K 2.9524 7.7983 125.5163 55.7039 33.0485 178.0055 16 K 4.0600 8.3071 122.6110 59.3163 32.3675 178.2224 17 G 4.1611 8.1618 104.1208 45.7358 0.0000 173.2822 18 W 5.4135 8.1158 118.7852 55.8915 30.2050 175.6785 19 S 4.7545 8.3030 113.3149 58.2137 65.0459 176.2068 20 V 4.5779 8.7041 122.2955 62.0976 30.9035 175.5723 21 I 4.1160 8.6722 130.5179 64.0521 37.7889 176.1396 22 D 4.7514 7.9715 119.5695 53.3239 44.4338 173.9820 23 F 5.0189 8.2670 117.8059 56.4216 40.7744 173.4743 24 N 4.6483 7.7637 115.2255 52.4459 38.5275 173.8562 25 N 4.9462 7.7610 117.4365 53.0311 41.9852 172.5491 26 C 4.7098 8.6993 123.9240 58.5980 35.2392 174.2767 27 C 3.7849 8.1367 118.9636 60.9071 29.3295 176.0533 28 T 3.8503 7.6517 109.2592 63.9951 68.2151 174.8510 29 Q 4.2943 7.5739 120.1787 57.4136 29.5234 176.6323 30 D 5.0261 7.6945 119.5084 53.5106 41.4900 174.6933 31 G 4.1971 8.7707 114.0745 46.3135 0.0000 172.1730 32 G 3.8841 8.6701 105.9842 46.8842 0.0000 176.2034 33 W 4.2153 8.1189 115.8812 58.9262 28.0601 176.7798 34 Y 3.2807 7.1499 116.8679 59.9611 37.6336 177.1540 35 L 3.7133 7.7805 120.9480 56.7958 42.5728 176.6959 36 N 4.7881 7.1107 115.5013 51.0641 36.3673 174.7938 *38 G 3.7396 7.6862 110.8525 46.2054 0.0000 171.2251 39 W 5.1517 7.4177 117.4947 55.2146 30.2822 176.8414 40 G 4.3621 7.6679 107.9521 44.5994 0.0000 174.7510 41 V 3.7286 8.1940 111.6651 64.1003 31.4536 178.1356 42 E 3.9239 8.2713 116.1537 58.5536 29.0262 178.3266 43 S 4.4101 7.8693 113.3827 60.4183 62.9117 175.1683 44 L 4.2685 8.9877 122.6160 55.9937 41.2693 177.3013 45 I 4.2829 7.5937 112.5596 60.7135 38.5079 175.5313 46 D 4.8145 7.4204 115.8590 53.6410 39.1065 175.0607 47 N 4.0643 7.9393 117.0637 54.9057 38.1507 175.3623 48 N 4.5624 8.2643 116.5259 52.6415 38.7666 175.0339 49 P 4.2434 0.0000 0.0000 63.7160 31.9959 178.4949 50 G 3.6129 7.5705 108.1954 48.6099 0.0000 174.7215 51 T 4.2531 7.6626 108.9012 61.1083 69.7312 173.0893 52 Q 4.9160 8.4177 120.0798 54.4713 33.0276 172.9996 53 W 5.6170 9.1698 128.9532 54.7697 33.8427 173.8474 54 L 4.1217 7.1322 126.8818 52.6554 44.8386 175.8596 55 C 3.9265 6.9398 120.6422 57.1132 31.2420 172.8626 56 R 3.8506 8.1788 119.8645 56.2026 29.9359 175.6180 57 W 4.1833 8.3593 134.3563 58.8126 32.0626 176.7013 58 D 4.6300 7.8671 116.3115 56.0361 40.5144 176.3369 59 V 4.1275 7.3982 116.8884 60.4432 32.7250 175.1040 60 K 4.0082 8.4236 127.3169 56.4534 30.7982 176.5422 61 E 4.3156 8.3832 123.9065 54.6516 30.4055 175.5711 62 P 4.3490 0.0000 0.0000 62.3300 32.0891 176.2605 63 L 3.6402 7.9438 120.5747 53.9704 42.2561 174.6727 64 P 4.8193 0.0000 0.0000 61.7568 32.8904 174.8353 65 Y 5.2384 7.9220 118.5874 57.2357 40.8675 174.0845 66 Y 4.9624 8.3958 118.9951 55.9364 41.9734 173.5487 67 F 4.9793 9.2483 118.5009 55.7103 44.1653 174.3398 68 V 4.6389 8.4106 120.3098 61.3395 34.1321 174.1848 69 F 5.3282 9.3862 128.5605 56.6477 40.6367 175.9365 70 D 4.8891 9.0977 125.1103 53.4580 43.4379 176.5121 *72 G 4.0934 8.6653 105.1963 45.5432 0.0000 173.3406 73 K 4.7653 7.8679 116.9750 53.7728 35.9346 175.3882 74 E 4.1229 8.3277 118.6139 57.6721 30.1956 175.8639 75 Y 4.5596 8.1068 117.3239 57.7064 43.7631 174.0932 76 T 4.8109 9.1119 118.2250 61.4162 70.6671 173.4022 77 L 4.3870 8.6434 127.1908 55.1230 42.4633 177.1638 78 F 5.0183 10.3698 121.5501 58.7366 41.8188 175.3605 79 R 5.0457 8.3768 116.9127 54.8342 33.6945 173.3338 80 F 5.4427 8.8913 123.6845 57.3367 43.1934 172.9753 81 G 3.8971 7.5653 110.4928 45.4528 0.0000 171.5346 82 F 4.9144 7.4896 114.4216 54.4835 42.2006 173.6460 83 A 5.0637 8.8346 119.6344 49.2445 21.9569 175.7823 84 N 4.8697 8.3476 120.9765 52.6257 39.4308 173.6328 85 P 4.5435 0.0000 0.0000 63.1671 32.3434 176.0810 86 V 4.6235 8.0201 121.4019 59.2645 34.8529 174.8102 87 A 4.3164 8.9125 125.0981 52.4008 18.5779 175.8365 88 P 4.5045 0.0000 0.0000 62.8256 31.5404 176.2707 89 A 3.9228 7.7556 121.6872 52.9759 18.5872 177.9928 90 A 4.2010 8.9595 125.8203 54.9327 18.5758 177.4540 91 H 4.5586 8.2616 113.2656 54.1232 28.4252 174.5887 92 V 4.0278 7.8722 112.9687 61.6059 32.3316 177.0050 93 W 4.7042 7.6891 115.5134 56.6189 29.0759 176.8236 94 A 3.7724 6.8044 121.3071 53.4505 18.6385 177.3634 95 G 4.3635 7.8583 105.5534 46.0244 0.0000 173.2143 96 T 5.1160 8.0181 118.8474 61.2837 70.4303 173.9323 97 S 4.4698 8.6937 118.4279 60.1211 62.8846 173.8614 98 K 4.2696 9.1056 125.7302 57.5135 34.7844 175.6903 99 A 4.0622 6.8474 117.5627 50.5644 22.4772 175.8416 100 G 3.5688 5.3800 107.1731 46.0505 0.0000 170.5234 101 Y 5.4219 6.9415 117.6756 55.9641 41.7537 174.3800 102 V 4.6280 8.3536 116.0634 61.6637 35.0526 173.0405 103 E 5.3387 9.2650 124.7151 54.6753 32.9640 174.6830 104 A 5.5017 8.8822 121.4125 50.8308 23.1970 175.1785 105 S 4.6021 8.8140 114.5127 56.5736 66.0631 173.9771 106 I 4.5309 7.5898 121.6947 60.8259 39.3215 175.6923 107 D 4.7628 7.3658 116.4128 52.6118 40.6105 174.7559 108 N 3.7823 8.0631 115.6595 54.6500 37.9387 174.3509 109 E 4.5164 7.7011 114.7223 56.4891 31.8733 176.3873 110 N 5.0656 7.9855 114.7839 51.0389 41.6237 173.2805 111 W 5.3386 8.5684 120.4120 55.0393 33.5291 175.2767 112 V 4.3959 8.5723 119.9942 60.3771 33.9352 173.8836 113 K 4.1248 8.8865 127.8949 57.0535 32.0231 176.3426 114 L 4.2835 8.9216 128.7869 56.7406 41.8952 176.9291 115 K 4.7341 7.7019 118.0705 55.4214 35.6921 173.5594 116 D 5.1627 8.8206 126.0560 52.9853 42.8547 175.3095 117 W 5.4329 8.8499 118.7877 55.2759 32.3632 173.4433 118 T 5.3955 8.8267 108.9773 60.8727 71.4593 172.6607 119 S 5.0427 9.1483 116.0856 56.1778 65.1967 172.2526 120 P 4.5784 0.0000 0.0000 65.3951 31.5668 175.9816 121 K 4.0921 7.6180 114.7404 55.0499 35.1290 174.8343 122 I 4.1422 7.9512 120.3373 62.4577 37.4453 176.3137 123 G 3.8479 9.2547 112.4043 46.6449 0.0000 173.7577 124 E 4.1426 8.7563 121.7736 55.2689 28.9983 174.6592 125 P 4.0477 0.0000 0.0000 64.8367 31.5558 175.1827 126 N 5.0654 7.8363 116.8338 51.6405 43.2182 174.2932 127 V 3.9817 7.8895 121.3850 61.3306 33.1756 174.1504 128 N 5.6598 8.0092 124.8655 50.6301 41.5816 173.3657 *130 D 4.6622 8.4579 118.0330 54.7900 41.9396 175.8083 131 V 4.6231 9.4652 122.7159 58.8668 34.5711 173.4336 132 P 4.2815 0.0000 0.0000 63.2102 31.8515 174.5686 133 A 4.8711 8.9605 127.6436 51.7845 18.7017 176.0792 134 T 4.6787 8.3357 114.6194 61.1316 71.7252 172.6931 135 Q 5.0065 8.6889 124.9696 54.9833 29.4527 175.0175 136 A 4.8130 9.2148 125.8216 50.5919 22.6238 175.9788 137 R 4.2403 8.9508 119.1899 56.2623 32.2250 175.5661 138 Y 5.2057 7.5910 115.0356 56.2460 42.6435 174.3104 139 I 5.1746 9.1217 122.2669 59.7374 41.1606 174.5079 140 R 5.3839 9.3608 128.0234 53.7352 31.2799 174.4334 141 F 5.0470 8.7070 129.0115 58.0135 41.3295 174.2550 142 V 4.5012 7.5751 123.9441 61.4186 35.1386 173.2820 143 I 4.4099 8.6313 129.0266 60.1782 38.7049 176.2854 144 T 4.3835 8.2888 121.3248 63.4131 71.9758 173.5301 145 D 4.9199 8.7285 121.0907 52.5506 45.0820 174.9105 146 T 5.0626 8.1468 111.0960 59.9548 72.2233 173.0019 147 Y 4.5773 8.9148 122.2332 57.0974 38.4351 174.3711 148 P 4.4921 0.0000 0.0000 63.2469 32.3121 175.1581 149 T 4.8554 7.8424 114.1875 61.3988 72.0454 175.0665 150 Y 4.2219 8.4103 120.6183 59.4910 38.0626 176.2642 151 D 4.7770 6.9028 119.2625 53.6653 42.3534 177.1553 152 G 3.7622 7.8132 108.7938 44.2761 0.0000 173.8366 153 L 4.4074 8.2029 117.8701 55.0537 39.6127 177.0744 154 R 4.3077 7.3513 121.5073 53.7917 33.2103 175.9545 155 V 5.1302 7.4792 114.5605 62.0424 34.1367 171.7724 156 S 4.9853 8.3458 118.8080 56.3399 67.0330 172.3777 157 L 4.3402 9.1010 121.9294 54.0286 44.9870 175.6460 158 G 3.9413 9.1280 114.8805 47.3649 0.0000 173.2246 159 E 4.8535 7.6663 117.5911 53.5498 34.6669 174.3913 160 V 3.9232 7.4919 121.6425 59.9123 33.7218 174.4696 161 Y 4.3138 7.6178 123.1284 55.8060 40.5607 174.6752 162 A 4.9518 7.5977 122.2715 49.9826 23.1597 175.2137 163 W 5.3439 8.9566 118.7694 55.6207 33.1754 174.8145 164 G 4.3468 8.6332 108.7133 45.7063 0.0000 172.7222 165 L 4.5775 7.9538 125.2096 55.0636 43.5850 175.2989 166 E 4.2317 8.7249 125.5717 55.5735 30.7553 175.6610 167 H 4.6336 8.2782 123.2825 54.9501 30.3505 174.3959 168 H 3.9196 8.7882 118.8266 57.4156 29.2241 173.9023 169 H 4.1925 8.1674 123.8946 55.6196 29.4492 174.8904 170 H 4.4188 8.3116 121.2956 55.0209 29.9200 174.3536 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 4 Y 8.14 4.66 0.00 3.03 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 5 T 8.72 4.64 4.40 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 1.28 0.00 0.00 6 V 7.89 3.97 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 0.69 0.00 0.00 0.93 0.00 0.00 7 K 8.31 4.36 0.00 1.85 1.85 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 8 F 8.10 4.40 0.00 2.81 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 9 Q 7.66 2.77 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 10 P 0.00 4.11 0.00 2.20 1.44 0.00 3.17 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 11 D 8.25 4.95 0.00 2.69 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 12 P 0.00 4.02 0.00 1.75 1.58 0.00 3.73 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 2.02 2.71 0.00 13 I 8.03 3.95 1.70 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.69 0.00 0.00 14 D 8.64 4.22 0.00 2.66 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 15 K 7.80 2.95 0.00 1.15 1.04 0.00 0.98 0.00 0.00 0.71 0.00 0.00 2.44 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.21 7.81 16 K 8.31 4.06 0.00 1.98 1.82 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 17 G 8.16 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 18 W 8.12 5.41 0.00 3.39 3.24 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 19 S 8.30 4.75 0.00 3.96 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 20 V 8.70 4.58 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 0.97 0.00 0.00 1.19 0.00 0.00 21 I 8.67 4.12 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.91 0.00 0.00 22 D 7.97 4.75 0.00 2.71 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 23 F 8.27 5.02 0.00 2.68 2.87 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 0.00 0.00 0.00 24 N 7.76 4.65 0.00 2.55 2.25 0.00 0.00 5.79 8.04 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 25 N 7.76 4.95 0.00 2.39 2.13 0.00 0.00 6.81 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 26 C 8.70 4.71 0.00 3.00 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 27 C 8.14 3.78 0.00 1.90 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 28 T 7.65 3.85 4.24 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 1.16 0.00 0.00 29 Q 7.57 4.29 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 30 D 7.69 5.03 0.00 2.78 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 31 G 8.77 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.67 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.12 4.22 0.00 3.37 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 34 Y 7.15 3.28 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.78 3.71 0.00 1.73 1.91 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.11 4.79 0.00 2.68 2.75 0.00 0.00 6.86 6.88 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 *38 G 7.69 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.42 5.15 0.00 3.31 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 40 G 7.67 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.19 3.73 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 0.59 0.00 0.00 0.83 0.00 0.00 42 E 8.27 3.92 0.00 2.20 2.27 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 2.40 2.36 0.00 43 S 7.87 4.41 0.00 4.02 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 44 L 8.99 4.27 0.00 1.60 1.42 0.84 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.59 4.28 1.87 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 0.92 0.00 0.00 46 D 7.42 4.81 0.00 2.75 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 47 N 7.94 4.06 0.00 2.80 2.68 0.00 0.00 7.26 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.26 4.56 0.00 2.87 2.93 0.00 0.00 5.97 7.76 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 49 P 0.00 4.24 0.00 2.23 2.14 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 50 G 7.57 3.61 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 0.00 0.00 0.00 51 T 7.66 4.25 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 1.30 0.00 0.00 52 Q 8.42 4.92 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 53 W 9.17 5.62 0.00 3.28 3.08 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 54 L 7.13 4.12 0.00 0.86 0.85 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 55 C 6.94 3.93 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.18 3.85 0.00 1.66 2.08 0.00 3.32 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 57 W 8.36 4.18 0.00 3.23 3.08 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 58 D 7.87 4.63 0.00 3.17 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 59 V 7.40 4.13 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 0.84 0.00 0.00 1.01 0.00 0.00 60 K 8.42 4.01 0.00 1.72 1.70 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.60 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.18 1.32 7.81 61 E 8.38 4.32 0.00 2.10 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 2.51 2.22 0.00 62 P 0.00 4.35 0.00 2.13 2.02 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 63 L 7.94 3.64 0.00 1.42 1.32 0.76 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.32 7.81 74 E 8.33 4.12 0.00 1.77 1.80 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 2.24 2.27 0.00 75 Y 8.11 4.56 0.00 2.87 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 76 T 9.11 4.81 4.01 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 1.24 0.00 0.00 77 L 8.64 4.39 0.00 1.61 1.67 0.94 0.79 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 78 F 10.37 5.02 0.00 3.14 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 79 R 8.38 5.05 0.00 1.99 2.09 0.00 2.21 0.00 0.00 2.88 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 80 F 8.89 5.44 0.00 3.19 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 81 G 7.57 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 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0.00 0.00 1.44 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.04 0.27 7.81 99 A 6.85 4.06 0.95 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 0.00 0.00 100 G 5.38 3.57 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 0.00 0.00 0.00 101 Y 6.94 5.42 0.00 3.02 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 0.00 102 V 8.35 4.63 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.42 0.00 0.00 103 E 9.27 5.34 0.00 1.86 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 2.41 2.55 0.00 104 A 8.88 5.50 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 0.00 105 S 8.81 4.60 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.59 4.53 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 2.11 2.20 0.00 133 A 8.96 4.87 1.55 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 0.00 0.00 134 T 8.34 4.68 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 1.34 0.00 0.00 135 Q 8.69 5.01 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 136 A 9.21 4.81 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 0.00 137 R 8.95 4.24 0.00 1.59 1.62 0.00 2.84 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 138 Y 7.59 5.21 0.00 2.72 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 0.00 139 I 9.12 5.17 2.16 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 0.87 0.00 0.00 140 R 9.36 5.38 0.00 0.82 1.24 0.00 2.29 0.00 0.00 2.25 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.30 0.00 141 F 8.71 5.05 0.00 3.53 3.26 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 0.00 0.00 0.00 142 V 7.58 4.50 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.46 0.00 0.00 143 I 8.63 4.41 1.81 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.88 0.93 0.00 0.00 144 T 8.29 4.38 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 1.12 0.00 0.00 145 D 8.73 4.92 0.00 2.54 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 0.00 0.00 0.00 146 T 8.15 5.06 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 1.22 0.00 0.00 147 Y 8.91 4.58 0.00 2.97 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 0.00 148 P 0.00 4.49 0.00 2.23 2.11 0.00 3.98 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 2.10 2.09 0.00 149 T 7.84 4.86 4.54 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 1.00 0.00 0.00 150 Y 8.41 4.22 0.00 3.05 3.11 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 0.00 151 D 6.90 4.78 0.00 2.50 2.34 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 0.00 152 G 7.81 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 0.00 0.00 0.00 153 L 8.20 4.41 0.00 1.55 1.55 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.35 4.31 0.00 1.67 1.31 0.00 2.21 0.00 0.00 2.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 155 V 7.48 5.13 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 1.02 0.00 0.00 1.29 0.00 0.00 156 S 8.35 4.99 0.00 3.74 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.10 4.34 0.00 2.08 1.61 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 158 G 9.13 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 0.00 159 E 7.67 4.85 0.00 1.86 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 2.01 1.77 0.00 160 V 7.49 3.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.25 0.00 0.00 161 Y 7.62 4.31 0.00 1.73 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 0.00 0.00 0.00 162 A 7.60 4.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.96 5.34 0.00 3.65 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 0.00 164 G 8.63 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 0.00 0.00 0.00 0.00 165 L 7.95 4.58 0.00 2.39 1.77 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.72 4.23 0.00 1.88 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 167 H 8.28 4.63 0.00 2.92 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.79 3.92 0.00 3.03 3.24 0.00 5.74 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 0.00 169 H 8.17 4.19 0.00 3.21 3.31 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 H 8.31 4.42 0.00 3.24 3.16 0.00 5.75 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 * Residues marked with a * may have inaccurate shift predictions.