NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3081 8.1133 121.1170 56.4218 31.1226 172.7499 3 I 4.5180 7.9832 125.1761 59.1531 38.6382 170.0682 4 V 4.4933 8.9924 126.4683 61.0289 35.6655 173.5320 5 Q 4.5102 8.9203 129.2449 55.9649 29.3751 175.6691 6 A 4.0112 8.7113 128.8616 52.4458 19.1183 175.8941 7 T 4.5486 8.1593 112.2454 60.1158 70.7781 174.1529 8 L 3.9322 8.6141 125.2297 58.1326 41.5385 177.4821 9 E 3.9527 7.4666 117.4590 58.9903 29.8895 178.3533 10 H 3.9811 8.1329 116.2244 57.6360 29.1382 176.6635 11 L 3.8405 8.1458 123.7104 58.5813 41.5984 178.4641 12 D 4.3741 8.0403 116.3949 57.5746 40.9115 178.3925 13 L 4.1102 7.8038 118.7663 57.7380 42.4060 178.1313 14 L 4.0949 8.5215 120.5737 57.5301 42.1337 178.2671 15 A 4.1058 8.2389 121.6426 55.0384 18.4356 177.8919 16 P 4.3066 0.0000 0.0000 66.0101 31.2904 178.1941 17 L 4.2696 8.0101 119.5868 57.6807 42.2913 178.2906 18 F 4.5427 8.5493 121.0319 61.2629 39.1719 177.3022 19 V 3.4004 8.0123 117.8048 66.0457 31.4729 177.8616 20 K 4.0273 7.9602 117.7878 59.9134 32.0487 178.4511 21 Y 2.9485 7.8668 119.2309 60.6321 38.5316 178.5077 22 R 3.4608 7.2040 116.9059 58.8300 30.3147 178.8959 23 E 3.9773 8.2849 118.9016 59.4765 29.3706 178.7924 24 F 4.1979 8.3992 119.4613 61.3144 39.2254 175.5976 25 Y 4.3189 7.4473 113.9658 56.7278 39.4935 175.0908 26 G 3.5026 7.8809 110.3039 45.7327 0.0000 173.1925 *28 L 3.8005 7.5803 119.3890 54.7175 43.2693 178.8338 29 S 4.3425 7.9858 118.5088 58.1437 61.3720 174.3999 30 Y 4.4382 7.4908 125.8649 56.5656 36.0744 173.0592 31 P 4.2542 0.0000 0.0000 65.8597 31.8774 177.2845 32 E 4.0096 8.2199 116.0819 59.8551 29.5732 179.5106 33 S 4.2092 8.2017 114.4335 61.7702 63.0161 176.9137 34 S 4.4007 8.7843 118.1424 61.8340 62.6826 176.8065 35 R 4.0317 8.0844 120.9380 59.2966 29.7066 178.4456 36 K 4.0476 8.2482 119.4356 59.1038 32.1436 178.5247 37 F 4.2520 8.1685 120.7854 60.8775 39.4251 177.4689 38 L 3.7888 7.9918 118.3366 57.5715 41.3431 179.0730 39 E 3.8781 8.2313 119.2654 59.1387 29.6066 178.9549 40 K 3.8643 7.7001 118.4421 59.4617 32.1020 179.2956 41 R 3.7232 7.5602 118.7571 59.4023 29.4407 178.6085 42 L 3.9749 8.2564 119.2405 57.5540 41.3987 179.4545 43 R 3.8917 8.1577 118.8493 59.2024 30.1119 177.5234 44 R 4.1401 7.8931 114.3186 55.9938 30.4596 176.3503 45 K 3.8542 7.2548 115.4012 57.5646 29.8935 176.0406 46 E 4.2831 8.0999 117.2489 57.3962 29.8248 176.3786 47 S 5.0308 7.5886 112.3069 56.8592 67.1224 173.6129 48 V 4.1355 8.9980 119.4184 61.3098 33.8972 173.8085 49 I 4.6960 7.9645 129.0047 59.7808 39.6521 174.2775 50 Y 4.9723 8.8923 124.7105 56.2122 40.5687 174.5676 51 L 5.1011 9.1423 123.9789 53.0803 44.3882 176.1160 52 A 4.5013 8.7288 127.9654 50.7675 17.3595 176.4005 53 L 4.6069 8.4059 120.2534 52.8243 42.9968 179.5194 54 A 4.3713 8.6156 127.9147 53.4415 19.5603 178.1508 55 D 4.5224 9.1549 117.3081 57.0117 42.6808 176.5867 56 E 4.0536 9.3350 124.4461 59.0228 30.6622 176.1947 57 E 4.7709 7.6765 114.0512 54.2420 32.0809 176.6122 58 D 4.5657 8.3425 120.6946 54.0431 39.8978 177.8810 59 R 4.1742 7.8021 121.1498 55.4218 30.9851 175.2625 60 L 4.3532 8.5634 129.5240 55.6804 42.0925 176.3139 61 L 4.5018 8.6163 125.9009 55.2494 44.3606 176.2449 62 G 4.4591 7.7053 104.4664 46.5880 0.0000 171.5684 63 F 5.4840 7.9398 113.7641 56.4942 41.6241 172.7986 64 C 5.2583 9.1630 113.3994 56.9585 32.9573 172.6157 65 Q 4.9856 9.2288 122.1429 54.3447 31.9065 173.9276 66 L 5.1384 8.7844 125.4866 53.1390 45.7409 174.8047 67 Y 5.4694 8.7601 120.3025 55.6551 40.5395 173.4910 68 P 4.0507 0.0000 0.0000 62.9086 32.8002 175.4415 69 S 4.3139 7.5845 115.1974 57.8237 66.0353 171.9975 70 F 5.2615 8.4409 116.7810 56.3165 43.6171 174.6259 71 S 4.5037 9.0166 114.7692 56.6033 63.2994 174.4257 72 S 4.1854 8.9699 124.1165 61.6715 63.0017 176.5334 73 L 4.1309 8.0204 118.6899 57.7196 40.7339 178.2661 74 S 4.4096 7.8902 112.1488 58.1193 63.3603 175.0063 75 L 3.8442 8.2315 119.2113 55.5054 39.5940 173.9303 76 K 4.8665 7.2463 117.0891 54.0548 36.2800 175.8378 77 R 4.1711 8.4925 121.4241 56.7101 31.6903 175.2915 78 V 4.7197 7.7731 122.5839 61.0746 35.1225 173.7593 79 W 5.0531 8.6178 127.1421 55.1842 31.1927 175.7919 80 I 4.5347 8.8257 124.9840 59.9047 38.7943 174.6313 81 L 4.7154 8.9927 131.5946 53.3368 42.0379 175.1046 82 N 5.0753 8.3065 120.5366 52.5424 40.4373 174.1324 83 D 4.7227 7.9863 119.1242 52.6383 44.7051 174.2791 84 I 4.7067 8.0191 123.3210 59.4121 41.2319 173.6104 85 Y 4.6027 8.1049 128.4688 56.4442 42.6913 172.9834 86 V 4.4420 7.2390 125.6282 60.3322 34.0230 174.9099 87 A 3.8354 8.4308 129.6693 52.2287 19.1231 177.9582 88 E 3.7283 8.9449 121.0903 59.3741 29.8410 179.1778 89 E 3.8621 8.2510 116.1899 58.5750 29.5302 177.4079 90 A 4.7340 7.8173 120.0512 51.8467 19.5978 178.0038 91 R 4.0741 7.6916 117.5200 56.3689 29.1936 177.8461 92 R 4.6428 7.5818 114.3514 57.1658 35.7964 177.4124 93 Q 4.4732 7.4013 121.7371 55.9926 29.0540 177.3964 94 L 4.7984 8.0963 114.5853 54.2678 42.7375 177.7608 95 V 3.6017 7.6100 120.5620 65.7224 32.0616 176.6352 96 A 3.8086 7.7588 120.0476 55.2309 18.2848 178.8623 97 D 4.2432 8.0014 116.7199 58.1794 40.9914 179.0101 98 H 4.1934 7.9632 115.8794 58.6161 28.6651 178.0485 99 L 3.8746 7.8342 120.8979 57.7282 41.5115 179.5096 100 L 3.9725 8.2514 119.3078 57.7042 41.5530 179.0510 101 Q 3.8760 8.3084 119.9041 59.7095 28.7377 177.8463 102 H 3.8296 7.7930 117.2231 59.4149 29.7925 176.6177 103 A 3.9568 7.4640 121.0292 54.8370 18.5467 179.0567 104 K 4.0213 8.5608 118.4981 59.7119 32.1485 179.9612 105 Q 3.7861 8.2093 116.1770 56.2441 28.7128 178.4898 *107 A 4.2688 7.9469 123.9515 52.5048 20.3886 179.7809 108 R 3.9032 7.7434 114.6301 59.4846 30.4784 178.8520 109 E 3.6866 8.3289 117.4041 59.8999 29.5932 178.6917 110 T 4.2738 7.9389 105.0033 61.4409 69.5792 173.7930 111 H 4.0613 8.5395 118.6165 57.0759 26.5961 174.8998 112 A 4.4883 8.0029 120.9499 51.5848 19.7063 178.7375 113 V 3.9002 8.7014 122.5565 65.7486 32.9995 176.1038 114 R 4.1545 7.3538 119.1894 55.8932 32.9438 174.0528 *116 R 4.5432 8.2796 114.9703 56.0955 31.9752 174.4971 117 V 4.6325 8.1158 120.0945 61.3362 34.7156 174.5767 118 S 4.5902 10.2346 124.4685 57.1345 64.9076 173.3577 119 T 4.6048 8.1752 118.2364 59.3330 70.4565 173.2989 120 S 4.2510 8.4930 119.9841 58.5166 63.2278 174.8337 121 V 3.8714 8.4666 120.7563 64.4848 31.6552 176.8773 122 D 4.7184 7.9617 117.9402 54.2721 41.1173 177.0557 123 N 5.0574 8.1460 116.3263 51.1487 40.6669 174.0820 124 E 4.0062 8.6139 122.3953 59.8897 29.5683 178.0716 125 V 3.3658 7.6391 115.2755 67.1368 31.4639 177.7543 126 A 4.1642 8.1860 120.0789 54.9560 18.4972 179.5719 127 Q 4.1309 8.2013 117.0012 59.1218 28.8741 178.5867 128 K 3.8779 7.5422 120.8196 59.8508 32.0317 178.7641 129 V 3.5704 7.8176 117.6581 66.2428 31.4226 177.4597 130 Y 4.2463 7.7151 116.3015 61.0542 37.3219 177.7181 131 E 4.5814 8.6346 120.2546 57.8947 29.3070 179.1819 132 S 4.1820 8.0345 113.6195 61.0764 62.5987 174.7342 133 I 4.1423 6.9535 111.2868 60.7080 37.5251 176.0981 134 G 4.0602 7.7270 107.0406 45.5580 0.0000 174.7323 135 F 4.3299 8.3866 119.2675 57.6447 39.5767 174.6723 136 R 4.8440 8.1840 121.2815 54.6635 34.0710 174.8191 137 E 4.1920 8.7107 120.9231 56.2275 30.2303 175.8333 138 D 4.8350 8.6230 122.8642 53.2477 42.3755 176.0487 139 Q 4.3946 8.5863 124.0845 56.5802 29.4171 176.1487 140 E 4.1031 8.9489 117.1042 56.8266 29.8522 176.4884 141 F 4.8725 7.7651 117.3141 55.3007 42.3140 173.8954 142 K 4.4576 8.8659 126.0367 54.7517 33.0827 175.0788 143 N 4.8263 8.6857 124.2809 52.6047 39.4843 174.2269 144 Y 4.7810 8.5449 119.9726 56.7919 40.9346 175.0029 145 T 4.6369 8.1366 116.1517 62.3685 72.4404 173.8942 146 L 4.5988 8.2342 126.4045 52.1589 43.1371 174.0329 147 P 4.4014 0.0000 0.0000 62.9708 32.0195 176.0189 148 I 4.3133 8.4939 121.4003 62.4127 39.3486 175.1623 149 S 4.8202 7.5779 112.3513 56.2586 66.4059 173.0768 150 D 4.6572 8.4276 120.3701 54.7953 41.2031 176.1288 151 E 4.4830 8.4456 119.4270 57.7247 31.4919 177.7222 152 L 4.1867 7.9871 119.7322 57.6806 42.5052 176.5685 153 S 4.1267 7.7401 116.3548 58.6548 62.6799 173.5780 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 R 8.11 4.31 0.00 1.98 2.12 0.00 3.13 0.00 0.00 3.33 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 3 I 7.98 4.52 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.55 0.00 0.00 4 V 8.99 4.49 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 0.92 0.00 0.00 0.94 0.00 0.00 5 Q 8.92 4.51 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 6 A 8.71 4.01 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 7 T 8.16 4.55 4.26 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 1.36 0.00 0.00 8 L 8.61 3.93 0.00 1.60 1.70 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.47 3.95 0.00 2.04 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 2.29 2.26 0.00 10 H 8.13 3.98 0.00 3.17 3.38 0.00 5.85 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.15 3.84 0.00 1.82 1.80 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.04 4.37 0.00 2.68 2.74 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 13 L 7.80 4.11 0.00 1.63 1.87 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.52 4.09 0.00 1.67 1.61 0.35 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.24 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.31 0.00 2.35 2.38 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.07 0.00 17 L 8.01 4.27 0.00 1.98 2.01 1.29 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.55 4.54 0.00 2.93 3.32 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 19 V 8.01 3.40 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 1.04 0.00 0.00 1.03 0.00 0.00 20 K 7.96 4.03 0.00 2.24 2.10 0.00 1.86 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.79 1.79 7.81 21 Y 7.87 2.95 0.00 2.36 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 22 R 7.20 3.46 0.00 1.69 1.71 0.00 2.38 0.00 0.00 2.64 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.22 0.00 23 E 8.28 3.98 0.00 2.15 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 2.24 2.46 0.00 24 F 8.40 4.20 0.00 3.06 3.22 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 0.00 0.00 0.00 0.00 25 Y 7.45 4.32 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.88 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 3.80 0.00 0.98 0.23 0.80 0.84 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 29 S 7.99 4.34 0.00 3.90 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 30 Y 7.49 4.44 0.00 3.01 2.88 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 31 P 0.00 4.25 0.00 2.20 2.18 0.00 3.68 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 32 E 8.22 4.01 0.00 2.04 2.05 0.00 0.00 0.00 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 2.40 0.00 33 S 8.20 4.21 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.78 4.40 0.00 4.17 4.21 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 35 R 8.08 4.03 0.00 2.00 2.14 0.00 3.14 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 36 K 8.25 4.05 0.00 2.21 1.97 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 37 F 8.17 4.25 0.00 3.38 3.39 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 0.00 0.00 0.00 0.00 38 L 7.99 3.79 0.00 1.85 1.51 0.72 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.23 3.88 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 40 K 7.70 3.86 0.00 1.75 1.70 0.00 1.69 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.64 7.81 41 R 7.56 3.72 0.00 1.78 1.80 0.00 2.92 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 1.54 1.68 0.00 42 L 8.26 3.97 0.00 1.62 1.64 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.16 3.89 0.00 1.72 2.00 0.00 3.23 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 44 R 7.89 4.14 0.00 1.87 1.92 0.00 3.44 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 45 K 7.25 3.85 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.38 7.81 46 E 8.10 4.28 0.00 1.91 1.94 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 2.29 2.19 0.00 47 S 7.59 5.03 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.00 4.14 1.90 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 0.39 0.00 0.00 0.99 0.00 0.00 49 I 7.96 4.70 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.39 0.88 0.00 0.00 50 Y 8.89 4.97 0.00 2.84 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 51 L 9.14 5.10 0.00 1.62 1.59 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.73 4.50 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 53 L 8.41 4.61 0.00 1.60 1.63 1.00 0.65 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 54 A 8.62 4.37 1.03 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 55 D 9.15 4.52 0.00 2.63 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.34 4.05 0.00 1.90 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 2.29 2.37 0.00 57 E 7.68 4.77 0.00 2.07 1.90 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 2.18 2.35 0.00 58 D 8.34 4.57 0.00 2.70 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 59 R 7.80 4.17 0.00 2.27 1.85 0.00 3.19 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 60 L 8.56 4.35 0.00 1.73 1.65 1.08 1.14 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 61 L 8.62 4.50 0.00 1.74 1.63 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.71 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.94 5.48 0.00 3.26 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 64 C 9.16 5.26 0.00 3.08 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 65 Q 9.23 4.99 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 1.68 2.14 0.00 66 L 8.78 5.14 0.00 1.64 1.77 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.76 5.47 0.00 2.96 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 68 P 0.00 4.05 0.00 1.66 1.82 0.00 4.06 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 69 S 7.58 4.31 0.00 3.78 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 70 F 8.44 5.26 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 9.02 4.50 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.97 4.19 0.00 3.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.02 4.13 0.00 1.63 1.74 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.89 4.41 0.00 3.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.23 3.84 0.00 1.76 1.74 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.25 4.87 0.00 1.90 1.72 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.55 7.81 77 R 8.49 4.17 0.00 1.76 1.73 0.00 2.21 0.00 0.00 2.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.09 0.00 78 V 7.77 4.72 1.91 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 0.89 0.00 0.00 0.88 0.00 0.00 79 W 8.62 5.05 0.00 3.34 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 80 I 8.83 4.53 2.18 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 1.18 0.81 1.05 0.00 0.00 81 L 8.99 4.72 0.00 1.75 1.67 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.31 5.08 0.00 2.60 2.82 0.00 0.00 6.73 7.94 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 83 D 7.99 4.72 0.00 2.61 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.02 4.71 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.53 0.76 0.00 0.00 85 Y 8.10 4.60 0.00 2.58 1.69 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 86 V 7.24 4.44 1.74 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 0.76 0.00 0.00 0.73 0.00 0.00 87 A 8.43 3.84 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.94 3.73 0.00 1.99 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 2.34 2.31 0.00 89 E 8.25 3.86 0.00 1.95 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 2.32 2.38 0.00 90 A 7.82 4.73 1.19 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 91 R 7.69 4.07 0.00 1.72 1.84 0.00 3.05 0.00 0.00 2.92 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 92 R 7.58 4.64 0.00 1.69 1.86 0.00 3.34 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 93 Q 7.40 4.47 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.35 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 94 L 8.10 4.80 0.00 1.60 1.58 0.89 0.72 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 95 V 7.61 3.60 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.87 0.00 0.00 96 A 7.76 3.81 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 97 D 8.00 4.24 0.00 2.76 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 98 H 7.96 4.19 0.00 3.24 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.83 3.87 0.00 1.88 1.66 0.82 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.25 3.97 0.00 1.62 1.78 0.74 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.31 3.88 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 102 H 7.79 3.83 0.00 3.19 3.22 0.00 5.81 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 0.00 103 A 7.46 3.96 1.40 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 0.00 0.00 0.00 104 K 8.56 4.02 0.00 1.87 1.99 0.00 1.54 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 105 Q 8.21 3.79 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.17 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 *107 A 7.95 4.27 1.47 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 0.00 0.00 108 R 7.74 3.90 0.00 2.02 1.95 0.00 3.22 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 109 E 8.33 3.69 0.00 1.91 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 2.32 2.36 0.00 110 T 7.94 4.27 4.52 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 1.38 0.00 0.00 111 H 8.54 4.06 0.00 3.36 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.00 4.49 1.52 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 0.00 0.00 113 V 8.70 3.90 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 0.83 0.00 0.00 0.96 0.00 0.00 114 R 7.35 4.15 0.00 2.00 1.80 0.00 3.03 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 *116 R 8.28 4.54 0.00 1.84 1.96 0.00 3.22 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 117 V 8.12 4.63 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 -0.34 0.00 0.00 -0.26 0.00 0.00 118 S 10.23 4.59 0.00 3.60 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 0.00 119 T 8.18 4.60 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 1.19 0.00 0.00 120 S 8.49 4.25 0.00 3.91 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 0.00 121 V 8.47 3.87 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 0.83 0.00 0.00 0.94 0.00 0.00 122 D 7.96 4.72 0.00 2.69 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 0.00 123 N 8.15 5.06 0.00 2.93 2.95 0.00 0.00 7.23 7.58 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 0.00 124 E 8.61 4.01 0.00 2.06 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 2.44 2.37 0.00 125 V 7.64 3.37 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 1.07 0.00 0.00 1.06 0.00 0.00 126 A 8.19 4.16 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.20 4.13 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 128 K 7.54 3.88 0.00 1.94 1.84 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 129 V 7.82 3.57 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 0.89 0.00 0.00 130 Y 7.72 4.25 0.00 3.21 2.86 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 0.00 131 E 8.63 4.58 0.00 2.09 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 0.00 2.46 2.53 0.00 132 S 8.03 4.18 0.00 3.98 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 0.00 133 I 6.95 4.14 1.89 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.91 0.93 0.00 0.00 134 G 7.73 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 0.00 0.00 0.00 135 F 8.39 4.33 0.00 3.48 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 0.00 136 R 8.18 4.84 0.00 1.80 1.83 0.00 3.42 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 137 E 8.71 4.19 0.00 2.00 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 2.34 2.33 0.00 138 D 8.62 4.83 0.00 2.78 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 0.00 139 Q 8.59 4.39 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 140 E 8.95 4.10 0.00 1.63 1.47 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 2.26 2.31 0.00 141 F 7.77 4.87 0.00 3.06 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 0.00 142 K 8.87 4.46 0.00 1.75 1.88 0.00 1.97 0.00 0.00 1.41 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 1.26 7.81 143 N 8.69 4.83 0.00 2.76 2.77 0.00 0.00 7.02 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Y 8.54 4.78 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.14 4.64 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 1.24 0.00 0.00 146 L 8.23 4.60 0.00 1.58 1.57 0.93 0.97 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 0.00 147 P 0.00 4.40 0.00 2.09 1.99 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 148 I 8.49 4.31 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.89 0.91 0.00 0.00 149 S 7.58 4.82 0.00 3.80 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 0.00 150 D 8.43 4.66 0.00 2.84 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.45 4.48 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 2.21 2.26 0.00 152 L 7.99 4.19 0.00 1.60 1.72 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.74 4.13 0.00 3.95 3.87 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 * Residues marked with a * may have inaccurate shift predictions.