NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4222 8.2893 118.1890 55.6116 32.3877 174.8946 2 S 4.3993 8.3898 113.7444 57.4702 63.5531 172.3237 3 M 4.0473 8.6146 122.2323 55.1873 33.3664 175.2951 4 P 4.2667 0.0000 0.0000 63.2325 32.2233 175.4870 5 R 4.8121 8.6057 120.0907 54.4729 34.0455 173.8974 6 Y 5.4256 7.7908 117.3037 55.6295 41.2311 174.2302 7 Y 4.7019 9.1332 122.5839 56.3713 40.6376 173.6525 8 E 5.0370 8.1855 127.1132 54.4512 32.2189 173.9412 9 Y 4.6937 8.8109 127.9280 55.8905 41.2784 174.2545 10 R 4.7415 8.0963 125.2156 54.8216 32.6678 175.1336 11 H 4.4813 8.6142 121.7856 54.6634 33.8843 172.0898 12 V 4.3208 7.7151 125.2166 60.8891 32.6346 175.5121 13 V 3.7095 8.2557 129.2834 63.4501 32.1014 175.8177 14 G 3.6836 8.7979 115.0405 44.2941 0.0000 174.6174 15 F 4.5585 8.2853 117.6651 60.3613 39.1089 177.8823 16 E 4.0388 8.2613 120.2639 58.9009 29.6910 177.1059 17 E 4.2594 8.0052 116.5695 57.2146 29.9666 176.6208 18 T 4.7813 7.5362 109.6861 60.9129 70.1750 173.7493 19 N 4.9440 8.9198 120.7940 50.6728 39.8767 175.2032 20 L 3.9489 8.5351 119.0421 58.4233 41.9355 178.2389 21 V 3.8607 7.7601 109.0511 61.5960 31.8795 176.5715 22 G 4.1184 8.0995 107.9928 44.9078 0.0000 173.0995 23 N 5.2585 8.0331 117.1600 50.5568 40.7696 173.5546 24 V 4.4595 8.3903 118.6653 62.7003 32.6453 175.9985 25 Y 4.2356 9.1122 130.5080 57.7762 39.3613 176.1787 26 Y 3.9713 8.3842 124.9447 60.2882 38.1264 178.8203 27 V 3.1018 5.8325 118.8592 65.6650 31.2808 177.4466 28 N 3.8199 7.7982 116.1400 56.3158 37.9532 176.8419 29 Y 3.9491 7.4572 117.0267 60.9100 37.8609 178.2844 30 L 4.1885 7.9129 119.9837 57.3946 41.6484 179.6106 31 R 3.8394 7.5223 117.7772 59.0824 30.0193 178.9374 32 W 4.3522 8.2481 118.9559 59.6267 28.9438 178.7029 33 Q 3.3584 7.7542 118.1823 58.6711 28.0490 178.9812 34 G 3.5318 7.8102 106.2603 47.5547 0.0000 175.5759 35 R 3.7335 8.0899 121.3476 59.1871 30.0772 178.1148 36 C 3.9025 7.9478 119.0164 62.5223 31.7525 175.8160 37 R 4.1506 8.2470 117.6544 59.3900 28.9283 178.6756 38 E 4.0549 8.4534 119.4641 59.4775 29.3973 179.1254 39 M 4.1887 8.4409 118.9242 57.9436 32.0040 178.6002 40 F 3.0071 8.1610 121.2237 60.8326 39.4281 177.1716 41 L 3.6170 7.7775 118.2301 57.7037 41.1814 178.6741 42 Y 4.0754 7.8503 118.5406 61.0013 38.7856 177.8879 43 E 3.8394 8.1700 117.9372 58.3487 29.8257 177.7448 44 H 4.6349 7.7273 113.1186 55.1498 31.4591 174.6972 45 A 4.4820 7.8495 124.5289 48.3799 19.9696 175.8236 46 P 4.1885 0.0000 0.0000 66.2509 31.4894 177.4559 47 E 4.1493 8.1423 118.1576 58.9360 29.4291 178.5869 48 I 3.7306 7.8914 120.2765 64.1632 37.0365 177.8322 49 L 3.9927 7.9226 121.3108 58.3634 41.6668 178.8094 50 D 4.3671 7.9156 117.2317 57.4057 40.9922 178.2096 51 E 4.1303 8.0151 118.6632 59.4000 29.2740 179.3506 52 L 4.5653 8.1489 119.7105 57.3060 41.7470 179.3894 53 R 4.1124 8.0941 116.3814 56.1829 30.2221 177.6976 54 A 4.2456 8.3930 120.1276 52.3018 19.2877 176.5830 55 D 4.8787 8.9974 126.3747 52.3332 43.4721 178.0712 56 L 4.5572 7.9204 122.0169 55.0829 43.7127 175.7379 57 K 4.8579 9.3210 124.3035 54.7858 36.3928 175.3565 58 L 5.0617 8.7361 124.9674 53.1246 42.7419 175.0074 59 F 4.4452 9.1083 127.5653 57.3234 40.6779 174.6138 60 T 4.5572 8.0491 123.8053 63.5828 68.1784 174.6881 61 L 4.6114 9.4074 127.8862 57.0118 42.7990 177.3972 62 K 4.6757 7.7658 117.4406 55.2512 35.6742 174.3713 63 A 5.2687 8.5204 127.4823 50.3560 22.1402 174.9665 64 E 4.7955 9.2820 119.1957 55.3649 33.7133 173.8056 65 C 4.9715 8.3401 119.6245 58.2382 34.9001 172.6098 66 E 4.4125 8.5596 125.1169 54.3242 32.2571 174.7070 67 F 4.3212 8.3656 122.3005 55.7245 40.2453 175.4099 68 F 5.1377 8.8111 121.5274 57.7764 41.0731 175.1634 69 A 4.7040 7.8470 119.0857 50.7962 22.1052 174.7152 70 E 4.5906 8.6076 119.0038 55.8806 30.5587 176.3448 71 L 5.0503 8.7684 122.6729 53.0581 44.9241 175.3115 72 A 5.0481 9.6137 124.6364 48.9243 22.4980 174.2102 73 P 4.0455 0.0000 0.0000 64.3609 31.5951 176.4993 74 F 3.7633 8.3026 118.9157 58.1585 37.0392 174.8314 75 D 4.6798 7.6471 120.4305 54.1882 42.3414 175.5664 76 R 4.6056 8.3995 120.5119 55.0045 31.8389 175.0354 77 L 5.1214 8.9998 126.2841 53.0103 45.2412 174.7560 78 A 4.8750 8.8381 126.6388 50.0573 22.0656 174.9057 79 V 4.4402 8.8864 123.6601 61.3392 33.7294 174.5956 80 R 4.9758 8.9089 128.3527 54.8527 31.9760 174.9968 81 M 4.9367 9.3645 124.6394 53.9294 34.8989 174.8164 82 R 4.9975 8.2659 122.4716 54.3369 35.4849 174.1297 83 L 4.0236 8.5768 124.7799 54.5037 42.1527 177.3095 84 V 3.9630 8.3648 120.8555 62.7721 32.7514 176.3348 85 E 4.6877 7.6899 119.7858 54.7991 33.3177 174.2192 86 L 4.8333 8.3533 127.2777 54.1751 44.5622 174.8483 87 T 4.7865 8.1880 120.0312 60.4372 71.3757 173.9546 88 Q 4.1562 8.8015 118.4124 59.2359 28.9938 177.3095 89 T 4.8328 7.9030 104.5095 61.2261 70.7749 173.4678 90 Q 5.3084 8.3957 121.0582 54.6208 33.3214 174.1713 91 M 5.2112 9.1047 119.4209 53.6710 36.8556 173.9585 92 E 5.0842 9.1026 122.9971 54.3781 32.7783 174.4368 93 L 4.8067 9.1300 126.9378 52.7501 45.0896 175.5242 94 G 4.3329 8.4983 110.1392 44.4148 0.0000 172.2245 95 F 5.4328 9.3003 121.9146 55.4919 42.8072 173.5798 96 D 5.3605 9.2047 123.7875 52.7772 43.6787 174.5815 97 Y 5.1676 9.4553 121.8517 56.5295 40.0436 174.7856 98 L 5.3132 9.0520 124.1838 52.8877 45.9911 175.4276 99 R 4.7474 9.1799 123.8669 55.1441 31.3366 175.5413 100 L 4.9324 8.4063 127.2410 53.7377 43.1148 175.0909 101 G 3.2795 10.2480 107.3322 44.8961 0.0000 174.9539 102 G 3.7603 8.5061 118.3166 46.6541 0.0000 175.7032 103 D 4.6542 9.0529 126.4546 52.5144 41.0427 175.5877 104 D 4.6493 8.6703 124.4321 55.0281 42.2509 175.4085 105 L 4.7876 8.7165 124.6447 52.9670 44.7850 174.9067 106 L 4.7716 8.7037 128.8083 55.3659 42.1818 176.4581 107 V 4.5311 8.9586 119.6942 61.7163 33.7063 175.2749 108 A 4.3329 7.8088 120.3626 51.5237 22.4543 175.2072 109 R 5.2750 8.1476 117.5836 54.9561 34.8005 175.1018 110 G 4.8327 9.9214 110.0846 44.8884 0.0000 171.0334 111 R 5.4778 8.8061 118.2562 55.3978 34.0532 173.6839 112 Q 5.1827 9.3757 122.9513 54.2603 33.8858 173.8281 113 R 5.0621 9.1085 122.5472 54.6902 32.9298 174.3002 114 I 5.2121 9.1843 126.7771 59.4392 41.1308 174.2299 115 A 5.2063 9.4001 127.5799 50.3923 22.0891 174.9396 116 C 5.1089 9.0689 120.3781 59.1373 30.0382 172.8582 117 M 5.2599 8.8997 119.3233 54.3311 34.9356 173.5860 118 R 5.4061 8.4147 118.1147 53.5993 35.0951 175.3960 119 G 4.1711 8.9305 105.8562 44.4153 0.0000 171.5238 120 P 4.5129 0.0000 0.0000 61.6886 32.2773 175.3320 121 N 4.2255 8.5129 116.1499 55.0173 38.8763 175.3724 122 G 4.1904 9.0649 110.7726 45.4062 0.0000 173.7275 123 R 4.8271 8.0438 119.0691 55.8938 30.2985 176.1159 124 T 5.4345 8.3343 108.1988 59.9405 70.9588 173.9211 125 E 4.8700 8.4221 120.7643 53.4771 33.1546 173.0868 126 P 4.8473 0.0000 0.0000 63.8466 31.7633 175.6792 127 V 4.6441 8.4052 113.8828 59.4446 35.8314 175.6421 128 R 4.3463 8.5781 121.6541 55.9664 30.8488 176.8642 129 V 3.6717 8.2173 122.7779 62.7647 32.2084 174.2201 130 P 4.2125 0.0000 0.0000 63.1344 32.1615 176.6454 131 A 4.1288 9.0756 124.7080 55.5593 18.2029 180.1176 132 G 3.6166 8.1117 103.4428 47.8901 0.0000 175.4830 133 L 3.8471 7.8048 122.1267 57.8028 42.1215 178.8315 134 V 3.7828 7.9177 118.2263 66.4409 31.2177 178.3057 135 R 4.0068 7.9768 116.1481 59.0628 29.9342 178.5678 136 A 4.2088 7.7891 120.0948 55.2322 18.6073 179.4260 137 F 4.9678 8.8868 116.0974 60.7476 39.0326 177.9900 138 A 3.9841 8.0569 120.7385 54.8247 18.3504 177.7865 139 P 4.1432 0.0000 0.0000 64.6593 31.7953 177.5468 140 F 5.6698 8.6737 116.9953 56.3945 39.3123 174.6247 141 R 4.5001 7.8968 122.7466 55.5344 30.2263 176.0110 142 S 4.8137 8.6362 120.2217 56.9868 65.1947 173.7352 143 A 4.4413 8.1842 121.9769 53.2995 22.3414 177.1676 *144 T 4.1583 7.9032 112.2002 61.0380 69.2377 179.0069 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 1 M 8.29 4.42 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 2 S 8.39 4.40 0.00 4.03 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 3 M 8.61 4.05 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 4 P 0.00 4.27 0.00 2.09 2.16 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 5 R 8.61 4.81 0.00 1.47 1.64 0.00 2.74 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 6 Y 7.79 5.43 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.13 4.70 0.00 2.39 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 8 E 8.19 5.04 0.00 2.21 1.75 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 2.10 2.22 0.00 9 Y 8.81 4.69 0.00 3.16 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 10 R 8.10 4.74 0.00 1.50 1.58 0.00 3.16 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 11 H 8.61 4.48 0.00 2.33 2.36 0.00 5.76 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 12 V 7.72 4.32 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 0.76 0.00 0.00 0.82 0.00 0.00 13 V 8.26 3.71 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 0.87 0.00 0.00 0.82 0.00 0.00 14 G 8.80 3.68 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 0.00 0.00 0.00 15 F 8.29 4.56 0.00 3.19 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 16 E 8.26 4.04 0.00 1.97 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 2.29 2.33 0.00 17 E 8.01 4.26 0.00 2.32 2.03 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 2.51 2.32 0.00 18 T 7.54 4.78 4.34 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 1.36 0.00 0.00 19 N 8.92 4.94 0.00 3.04 3.26 0.00 0.00 6.88 6.53 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 20 L 8.54 3.95 0.00 1.61 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.76 3.86 2.11 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 0.77 0.00 0.00 1.08 0.00 0.00 22 G 8.10 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 0.00 0.00 0.00 23 N 8.03 5.26 0.00 2.95 3.07 0.00 0.00 6.87 8.44 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 24 V 8.39 4.46 2.35 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 0.71 0.00 0.00 1.12 0.00 0.00 25 Y 9.11 4.24 0.00 2.95 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 26 Y 8.38 3.97 0.00 2.20 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 27 V 5.83 3.10 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 0.89 0.00 0.00 0.10 0.00 0.00 28 N 7.80 3.82 0.00 2.21 1.63 0.00 0.00 6.96 7.55 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 29 Y 7.46 3.95 0.00 3.13 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 30 L 7.91 4.19 0.00 1.81 1.66 0.96 1.10 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 31 R 7.52 3.84 0.00 1.61 1.83 0.00 3.01 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 32 W 8.25 4.35 0.00 3.72 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 33 Q 7.75 3.36 0.00 2.08 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.16 2.07 0.00 34 G 7.81 3.53 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 0.00 35 R 8.09 3.73 0.00 1.91 1.73 0.00 3.06 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 1.49 0.96 0.00 36 C 7.95 3.90 0.00 2.99 3.19 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 37 R 8.25 4.15 0.00 2.27 2.54 0.00 2.96 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 38 E 8.45 4.05 0.00 2.15 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 2.34 2.51 0.00 39 M 8.44 4.19 0.00 2.32 2.37 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.84 0.00 40 F 8.16 3.01 0.00 2.33 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 41 L 7.78 3.62 0.00 1.94 1.64 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.85 4.08 0.00 2.86 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 43 E 8.17 3.84 0.00 1.70 1.75 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 2.46 2.81 0.00 44 H 7.73 4.63 0.00 1.82 2.90 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.85 4.48 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.19 2.33 0.00 3.55 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 1.97 1.87 0.00 47 E 8.14 4.15 0.00 2.01 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 2.36 2.39 0.00 48 I 7.89 3.73 1.92 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 1.48 0.58 0.92 0.00 0.00 49 L 7.92 3.99 0.00 1.79 1.84 0.93 1.33 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 50 D 7.92 4.37 0.00 2.86 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 51 E 8.02 4.13 0.00 2.21 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 2.33 2.53 0.00 52 L 8.15 4.57 0.00 1.72 1.75 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.09 4.11 0.00 2.05 1.99 0.00 3.26 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 54 A 8.39 4.25 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 55 D 9.00 4.88 0.00 2.71 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 56 L 7.92 4.56 0.00 1.82 1.62 1.02 0.43 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 57 K 9.32 4.86 0.00 1.84 1.72 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.39 1.59 7.81 58 L 8.74 5.06 0.00 1.56 1.69 0.98 0.92 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 59 F 9.11 4.45 0.00 3.13 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 60 T 8.05 4.56 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 1.24 0.00 0.00 61 L 9.41 4.61 0.00 1.70 1.84 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.77 4.68 0.00 1.84 1.63 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.46 7.81 63 A 8.52 5.27 1.18 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 0.00 0.00 64 E 9.28 4.80 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 65 C 8.34 4.97 0.00 2.78 2.43 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 66 E 8.56 4.41 0.00 1.65 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 2.13 2.16 0.00 67 F 8.37 4.32 0.00 2.54 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.81 5.14 0.00 2.92 3.03 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 69 A 7.85 4.70 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 70 E 8.61 4.59 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 71 L 8.77 5.05 0.00 1.81 1.67 0.99 0.94 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 72 A 9.61 5.05 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 73 P 0.00 4.05 0.00 1.83 1.99 0.00 3.94 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 2.24 0.00 74 F 8.30 3.76 0.00 3.15 3.19 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 75 D 7.65 4.68 0.00 2.69 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 76 R 8.40 4.61 0.00 1.70 1.76 0.00 3.02 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 77 L 9.00 5.12 0.00 1.37 1.20 1.00 -0.02 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 78 A 8.84 4.88 1.11 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 79 V 8.89 4.44 2.29 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 0.83 0.00 0.00 0.88 0.00 0.00 80 R 8.91 4.98 0.00 1.47 1.35 0.00 2.63 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.30 0.00 81 M 9.36 4.94 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.10 0.00 82 R 8.27 5.00 0.00 1.67 1.69 0.00 3.18 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 83 L 8.58 4.02 0.00 0.77 1.26 0.31 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.36 3.96 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 0.58 0.00 0.00 0.95 0.00 0.00 85 E 7.69 4.69 0.00 1.96 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 2.25 2.28 0.00 86 L 8.35 4.83 0.00 1.51 1.48 1.01 0.98 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 87 T 8.19 4.79 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 1.21 0.00 0.00 88 Q 8.80 4.16 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 89 T 7.90 4.83 4.31 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 1.26 0.00 0.00 90 Q 8.40 5.31 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 91 M 9.10 5.21 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 92 E 9.10 5.08 0.00 1.96 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 2.14 2.38 0.00 93 L 9.13 4.81 0.00 1.39 0.87 1.02 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.50 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 95 F 9.30 5.43 0.00 2.96 2.65 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 96 D 9.20 5.36 0.00 2.50 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 97 Y 9.46 5.17 0.00 3.02 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 98 L 9.05 5.31 0.00 1.47 1.51 1.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 99 R 9.18 4.75 0.00 1.89 1.83 0.00 3.11 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 100 L 8.41 4.93 0.00 1.50 1.55 0.85 0.81 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 0.00 101 G 10.25 3.28 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 0.00 102 G 8.51 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 0.00 103 D 9.05 4.65 0.00 2.69 2.65 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 0.00 104 D 8.67 4.65 0.00 2.60 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 0.00 105 L 8.72 4.79 0.00 1.77 1.53 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.70 4.77 0.00 1.73 1.62 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.96 4.53 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 0.79 0.00 0.00 1.26 0.00 0.00 108 A 7.81 4.33 0.55 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 0.00 109 R 8.15 5.27 0.00 1.99 1.94 0.00 3.24 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 110 G 9.92 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.81 5.48 0.00 1.96 1.79 0.00 3.06 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 112 Q 9.38 5.18 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 113 R 9.11 5.06 0.00 1.92 1.80 0.00 3.23 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 114 I 9.18 5.21 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 1.01 0.00 0.00 115 A 9.40 5.21 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 0.00 116 C 9.07 5.11 0.00 3.11 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 0.00 117 M 8.90 5.26 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 118 R 8.41 5.41 0.00 1.76 1.84 0.00 3.11 0.00 0.00 3.42 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.41 0.00 119 G 8.93 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 0.00 120 P 0.00 4.51 0.00 2.24 2.19 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 121 N 8.51 4.23 0.00 2.73 2.87 0.00 0.00 7.03 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 0.00 122 G 9.06 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 0.00 123 R 8.04 4.83 0.00 1.79 1.90 0.00 3.32 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 124 T 8.33 5.43 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 1.37 0.00 0.00 125 E 8.42 4.87 0.00 1.99 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 2.24 2.26 0.00 126 P 0.00 4.85 0.00 2.09 2.09 0.00 3.68 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 1.99 0.00 127 V 8.41 4.64 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 0.79 0.00 0.00 0.94 0.00 0.00 128 R 8.58 4.35 0.00 1.71 1.88 0.00 3.24 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 129 V 8.22 3.67 2.15 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 0.84 0.00 0.00 1.03 0.00 0.00 130 P 0.00 4.21 0.00 2.23 2.09 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 131 A 9.08 4.13 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 0.00 132 G 8.11 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 0.00 133 L 7.80 3.85 0.00 1.76 1.88 0.62 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.92 3.78 2.29 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 1.05 0.00 0.00 1.10 0.00 0.00 135 R 7.98 4.01 0.00 1.86 2.00 0.00 3.23 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 136 A 7.79 4.21 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 0.00 137 F 8.89 4.97 0.00 3.47 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 0.00 138 A 8.06 3.98 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 0.00 139 P 0.00 4.14 0.00 1.54 2.07 0.00 3.89 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 1.40 1.78 0.00 140 F 8.67 5.67 0.00 3.33 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 0.00 141 R 7.90 4.50 0.00 1.83 1.99 0.00 3.22 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 142 S 8.64 4.81 0.00 3.98 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 0.00 143 A 8.18 4.44 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 *144 T 7.90 4.16 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.