NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0576 8.1849 122.4558 54.6021 43.8727 176.9119 3 W 4.8222 7.5647 117.7893 56.3976 29.4936 174.7679 4 K 4.5881 10.0599 123.0123 56.1334 34.4348 176.1826 5 K 4.6766 8.0280 117.5192 54.7291 34.0052 175.9197 6 T 4.1765 8.3328 119.3178 63.1376 69.2383 174.1838 7 F 4.8226 7.4860 119.3169 54.9033 40.8392 173.5023 8 T 4.6657 8.1533 111.5359 59.3610 72.8312 175.0802 9 L 4.0715 8.4656 120.9927 57.7932 41.5291 179.6893 10 E 3.9489 8.1496 118.2927 59.3666 29.4650 178.5696 11 N 4.2698 8.0666 116.5160 56.5741 38.5447 177.3639 12 L 3.8740 7.7147 119.5571 57.9694 41.4776 179.4676 13 N 4.3487 8.1187 115.2985 56.1765 38.7590 177.1872 14 Q 4.1190 8.4204 120.0115 58.9931 28.6290 178.6832 15 L 3.9747 7.8474 119.9668 57.9349 41.9551 177.8699 16 C 4.3824 7.7753 114.9506 58.9752 28.4961 173.7100 17 S 4.2919 7.3706 116.3635 59.1386 63.4668 173.4350 18 N 4.1463 8.7760 119.3453 54.5660 37.0665 172.4872 19 S 4.5583 8.1672 111.5447 56.0098 66.8179 174.1157 20 A 3.9980 8.6071 120.3872 55.4052 17.7925 179.8672 21 V 3.5129 7.5994 116.8482 66.3225 31.5911 178.4696 22 S 4.1170 7.6065 113.6071 61.7562 62.6229 175.6582 23 H 4.1424 8.2131 120.9163 58.5207 29.5522 176.1142 24 L 4.4577 7.6519 117.8040 53.7418 41.7164 177.1371 25 G 3.8949 8.0885 107.0685 46.0163 0.0000 173.9297 26 I 4.2293 7.4168 120.3577 60.9129 37.9239 175.2210 27 E 4.7816 9.1954 127.6234 54.1337 32.7134 174.7534 28 I 4.4573 9.0500 129.1269 61.6396 36.9994 175.9803 29 S 4.8142 8.7857 120.3061 58.4232 65.1412 173.8026 30 A 4.7839 8.0183 119.5385 51.7182 22.1052 175.1653 31 F 4.7691 8.3761 113.1394 55.4461 40.8970 174.1132 32 G 3.5449 6.7078 110.8683 43.5655 0.0000 171.8676 33 E 4.1340 8.8332 118.7380 58.7956 29.6807 177.7802 34 D 4.8675 7.4684 115.2910 52.8737 42.5863 174.9593 35 W 5.3019 7.8578 112.2929 56.1522 31.1340 172.5748 36 I 5.4416 9.1710 119.7906 59.9992 41.4642 173.2986 37 E 5.6187 10.1652 126.6191 54.8089 33.6283 174.7435 38 A 5.2525 9.0283 122.3247 50.9871 23.3029 175.8936 39 T 5.4956 9.0514 111.4396 58.6031 72.2655 171.1995 *41 P 4.4693 0.0000 0.0000 63.2266 32.6155 176.7036 42 V 4.2200 8.6877 123.2078 62.1543 31.7315 174.0051 43 D 4.6299 8.5025 131.1184 53.0172 42.0940 175.7376 44 H 4.2541 9.0953 112.0612 58.9540 28.8664 176.9256 45 R 3.9383 7.9928 119.0204 58.3957 30.5889 176.6917 46 T 4.5340 7.7486 107.9296 60.2474 68.7735 172.9243 *48 Q 4.4155 7.5196 119.2473 55.8450 30.3776 174.6060 49 P 4.0955 0.0000 0.0000 66.1229 31.2425 177.8312 50 F 4.2866 7.7707 112.9487 58.5705 38.6955 175.9224 51 G 3.9584 8.9023 109.5451 45.3262 0.0000 173.5009 52 V 4.6633 7.2951 111.0327 58.4487 34.9431 175.2359 53 L 3.9580 8.8933 124.8086 56.0929 42.6873 176.2964 54 H 4.1488 9.3182 126.8145 56.0595 30.4186 176.0310 55 G 3.6010 9.0062 113.6473 48.0194 0.0000 175.2338 56 G 3.7497 8.1301 107.4153 47.6354 0.0000 175.8213 57 V 3.7154 7.8422 119.9045 65.5757 31.4912 178.2261 58 S 4.1495 8.0105 115.3647 61.5675 62.6784 176.7057 59 V 3.5898 7.8757 120.5660 65.8138 31.2324 177.8204 60 A 3.9977 7.9844 120.6563 55.0510 18.2165 179.3610 61 L 3.8639 8.0652 118.4899 58.1550 42.1726 178.9368 62 A 3.9911 8.2452 120.9807 55.3589 18.3941 179.2535 63 E 3.8650 8.6338 118.1309 59.5087 29.6602 179.0729 64 T 3.7735 7.9616 115.8488 66.8118 68.6169 176.4518 65 I 3.7910 7.9326 120.5248 63.7780 37.9111 178.1466 66 G 3.2548 8.1610 106.8549 47.6773 0.0000 176.0117 67 S 3.9335 7.9305 117.5898 60.9348 62.9597 176.4423 68 L 3.7107 7.6324 122.7525 58.0478 41.6123 178.8042 69 A 3.9243 7.4073 119.3316 55.0897 18.4217 179.4093 70 G 3.8293 7.5522 104.6536 48.0446 0.0000 176.0185 71 S 4.3346 7.9469 116.3101 60.9426 63.1057 176.3616 72 L 4.1290 7.7700 121.6928 56.8798 41.1158 178.0483 73 C 4.8119 7.8805 113.6012 59.4841 28.8456 173.1999 74 L 4.8286 7.0764 120.3233 52.3675 43.7349 176.3386 75 E 4.1609 8.5665 120.8918 56.2481 30.1134 176.5669 76 E 4.0968 8.5933 120.4109 58.5996 30.1486 177.7513 77 G 4.0739 9.3139 110.3392 44.8790 0.0000 173.2068 78 K 5.0234 7.5287 117.6603 55.0307 35.4674 175.4247 79 T 4.6266 8.3136 114.5968 61.4837 70.8024 172.4021 80 V 5.0970 8.3536 112.3712 59.7491 35.7634 175.3773 81 V 4.4204 8.6342 122.2007 60.6378 34.6107 175.1358 82 G 3.8973 8.8383 114.8006 47.0133 0.0000 171.9559 83 L 4.7857 8.8133 126.7200 56.1741 43.5737 175.7564 84 D 4.7956 7.7523 115.6976 52.7697 42.6785 173.3133 85 I 5.2188 8.0466 118.2491 59.8968 41.2456 173.1568 86 N 5.2824 9.1371 123.4993 51.6372 41.1411 172.8205 87 A 5.1014 8.3545 119.4389 50.9956 22.5169 175.1521 88 N 4.8724 9.0228 117.8570 51.7176 41.6348 173.6325 89 H 4.8981 8.6197 120.6341 55.1526 29.1055 174.8574 90 L 4.6024 8.9111 124.6023 56.0988 42.9457 177.5114 91 R 4.5761 7.5922 111.6290 54.1249 31.7863 172.8877 92 P 4.3608 0.0000 0.0000 62.7000 32.1648 175.9814 93 V 4.4372 8.2827 120.8397 61.1576 33.8840 175.7561 94 R 4.6526 8.2515 121.1543 55.3860 30.3531 174.6524 95 S 4.4525 7.9772 111.1938 59.0004 65.7517 176.5157 96 G 3.8738 8.5061 106.8025 44.8859 0.0000 172.2725 97 K 4.8646 8.5233 119.2279 54.6687 35.4949 175.7059 98 V 4.6244 8.0379 114.5500 60.2927 34.7605 174.7931 99 T 5.1103 8.9683 119.1235 61.7925 72.0296 172.7371 100 A 5.1973 9.2412 128.4432 50.1291 21.8553 175.0208 101 R 5.1107 9.0647 123.3340 54.5038 32.8015 174.3833 102 A 5.4485 9.2248 128.8653 51.1706 20.9611 175.8964 103 T 5.3458 9.4773 119.6815 61.0269 72.4914 171.9375 104 P 3.3842 0.0000 0.0000 62.7529 31.7272 175.9116 105 I 4.0997 8.1766 123.4499 63.0519 38.6553 176.0524 106 N 4.6728 7.4615 119.0471 52.3288 42.4508 172.9010 107 L 4.8483 8.5889 126.2918 53.2504 43.5928 176.3224 108 G 4.0464 8.9212 114.2327 43.5378 0.0000 172.9481 109 R 4.0907 8.5881 117.4646 58.5881 30.1484 177.8049 110 N 4.9974 8.1301 112.6065 52.8474 41.2748 173.9004 111 I 5.1995 7.5316 118.1469 59.5263 41.6255 174.2761 112 Q 5.1198 9.2833 124.6976 54.0683 32.7956 174.5871 113 V 4.9747 8.8276 122.1290 60.9868 34.6065 174.2403 114 W 4.9800 9.5183 127.6346 54.8546 32.7565 174.2081 115 Q 4.8736 9.2290 125.6616 55.2312 30.5287 174.2964 116 I 5.7562 8.8023 126.5113 58.7518 40.6509 173.9521 117 D 5.4481 8.8224 126.3872 52.5048 43.8744 175.0297 118 I 5.1140 8.8758 124.2643 59.4739 40.1167 174.9188 119 R 5.2283 9.2045 122.8050 54.5577 33.5123 175.1889 120 T 4.5799 8.5802 111.3879 60.2513 70.3235 175.4499 121 E 4.2718 8.4966 118.5730 58.4937 29.7321 177.3767 122 E 4.2097 8.1295 117.6103 56.1821 29.7623 175.8378 123 N 4.2844 8.2734 115.6653 54.1303 36.7570 174.3282 124 K 4.2287 7.7250 117.2037 55.3189 33.1156 176.4223 125 L 4.4661 8.4574 125.6281 55.2290 42.2385 175.8398 126 C 4.7477 8.8091 121.0589 58.6605 32.1193 173.1830 127 C 5.1448 7.6913 118.6620 58.5388 34.6995 172.7143 128 V 5.0067 8.4088 118.6999 59.8248 34.9505 174.5958 129 S 5.0578 8.9865 117.3805 56.9045 66.6505 172.4639 130 R 5.1128 9.0025 124.7686 54.4166 33.3178 173.6115 131 L 5.3079 9.0789 127.7761 53.6087 45.2665 174.7956 132 T 5.2004 8.9944 122.8969 61.9052 70.9449 173.4357 133 L 5.2258 9.2539 125.9815 52.9929 45.6456 175.2106 134 S 5.0631 8.9696 117.3564 56.8667 64.4550 172.9968 135 V 4.5411 8.6460 128.2126 62.2072 32.0375 175.1153 136 I 4.6251 8.8918 121.5798 59.0837 41.0935 173.7739 137 N 5.1274 8.5390 121.6958 52.1535 39.7993 174.3764 138 L 4.2264 9.1847 126.6070 55.4044 42.5232 177.6256 139 L 4.6184 8.1415 118.9009 54.2329 42.0117 175.6176 140 E 4.6058 8.0194 117.0084 55.1321 30.9434 174.8655 141 H 5.1524 8.7243 119.9032 54.5511 32.1013 173.8130 142 H 4.9928 8.2076 117.4214 53.9748 28.2475 172.9645 143 H 4.3909 8.1118 124.5073 57.7405 29.7772 172.3122 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 L 8.18 4.06 0.00 1.21 0.75 -0.19 0.51 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 3 W 7.56 4.82 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 4 K 10.06 4.59 0.00 1.86 1.91 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.66 7.81 5 K 8.03 4.68 0.00 1.84 1.79 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.71 7.81 6 T 8.33 4.18 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 1.13 0.00 0.00 7 F 7.49 4.82 0.00 2.83 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 8 T 8.15 4.67 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 1.17 0.00 0.00 9 L 8.47 4.07 0.00 1.80 1.82 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.15 3.95 0.00 1.98 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 2.41 2.35 0.00 11 N 8.07 4.27 0.00 2.97 2.87 0.00 0.00 7.08 6.86 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 12 L 7.71 3.87 0.00 1.77 1.55 0.33 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.12 4.35 0.00 2.75 2.87 0.00 0.00 7.11 7.23 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 14 Q 8.42 4.12 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 15 L 7.85 3.97 0.00 1.56 1.80 0.87 0.76 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 16 C 7.78 4.38 0.00 2.92 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 17 S 7.37 4.29 0.00 4.00 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 18 N 8.78 4.15 0.00 2.83 2.88 0.00 0.00 6.80 7.63 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 19 S 8.17 4.56 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 20 A 8.61 4.00 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 21 V 7.60 3.51 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.90 0.00 0.00 22 S 7.61 4.12 0.00 4.03 4.10 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 23 H 8.21 4.14 0.00 3.24 3.55 0.00 5.93 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.65 4.46 0.00 1.68 1.65 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.09 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 0.00 0.00 0.00 26 I 7.42 4.23 2.01 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 1.11 0.57 0.90 0.00 0.00 27 E 9.20 4.78 0.00 1.98 1.76 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 2.20 2.26 0.00 28 I 9.05 4.46 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.91 0.00 0.00 29 S 8.79 4.81 0.00 3.90 3.98 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 30 A 8.02 4.78 1.46 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 31 F 8.38 4.77 0.00 3.19 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 32 G 6.71 3.54 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 0.00 0.00 0.00 33 E 8.83 4.13 0.00 1.95 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 2.27 2.24 0.00 34 D 7.47 4.87 0.00 2.66 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 35 W 7.86 5.30 0.00 3.73 3.29 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 36 I 9.17 5.44 2.02 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.86 1.03 0.00 0.00 37 E 10.17 5.62 0.00 2.32 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 2.42 2.52 0.00 38 A 9.03 5.25 1.22 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 0.00 0.00 39 T 9.05 5.50 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 1.25 0.00 0.00 *41 P 0.00 4.47 0.00 2.27 2.13 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 42 V 8.69 4.22 2.17 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 0.81 0.00 0.00 0.94 0.00 0.00 43 D 8.50 4.63 0.00 2.82 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 44 H 9.10 4.25 0.00 3.28 3.47 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.99 3.94 0.00 1.83 1.92 0.00 3.12 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.23 0.00 46 T 7.75 4.53 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 1.22 0.00 0.00 *48 Q 7.52 4.42 0.00 2.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 49 P 0.00 4.10 0.00 1.51 1.95 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.05 0.00 50 F 7.77 4.29 0.00 3.20 3.06 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 51 G 8.90 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 0.00 0.00 0.00 52 V 7.30 4.66 2.17 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 0.75 0.00 0.00 0.99 0.00 0.00 53 L 8.89 3.96 0.00 1.60 1.61 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.32 4.15 0.00 3.39 3.20 0.00 5.66 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 55 G 9.01 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.13 3.75 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 0.00 0.00 0.00 57 V 7.84 3.72 2.25 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 1.06 0.00 0.00 0.84 0.00 0.00 58 S 8.01 4.15 0.00 4.20 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 59 V 7.88 3.59 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 1.02 0.00 0.00 1.08 0.00 0.00 60 A 7.98 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.07 3.86 0.00 1.79 1.88 0.93 0.76 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 62 A 8.25 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.63 3.86 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 2.28 2.32 0.00 64 T 7.96 3.77 4.43 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 1.16 0.00 0.00 65 I 7.93 3.79 1.86 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 1.58 1.23 1.02 0.00 0.00 66 G 8.16 3.25 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 0.00 67 S 7.93 3.93 0.00 3.81 3.82 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 68 L 7.63 3.71 0.00 1.72 1.60 0.70 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.41 3.92 0.66 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 0.00 0.00 70 G 7.55 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 0.00 0.00 0.00 71 S 7.95 4.33 0.00 4.05 4.08 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 72 L 7.77 4.13 0.00 1.80 1.44 -0.43 0.15 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 73 C 7.88 4.81 0.00 3.25 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 74 L 7.08 4.83 0.00 1.84 1.61 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.57 4.16 0.00 2.06 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 0.00 2.44 2.38 0.00 76 E 8.59 4.10 0.00 1.97 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 2.35 2.30 0.00 77 G 9.31 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 0.00 0.00 0.00 0.00 78 K 7.53 5.02 0.00 1.89 1.77 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.34 7.81 79 T 8.31 4.63 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 1.20 0.00 0.00 80 V 8.35 5.10 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 0.82 0.00 0.00 0.93 0.00 0.00 81 V 8.63 4.42 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 1.03 0.00 0.00 0.93 0.00 0.00 82 G 8.84 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 83 L 8.81 4.79 0.00 1.85 1.69 0.94 1.30 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 84 D 7.75 4.80 0.00 2.81 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 85 I 8.05 5.22 1.89 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 1.42 0.96 0.93 0.00 0.00 86 N 9.14 5.28 0.00 2.83 2.84 0.00 0.00 6.75 6.80 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 87 A 8.35 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 9.02 4.87 0.00 2.67 2.68 0.00 0.00 7.08 8.93 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 89 H 8.62 4.90 0.00 3.04 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.91 4.60 0.00 1.50 1.71 0.92 0.74 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 91 R 7.59 4.58 0.00 1.87 1.85 0.00 3.04 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 92 P 0.00 4.36 0.00 2.06 2.02 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 93 V 8.28 4.44 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 1.07 0.00 0.00 0.98 0.00 0.00 94 R 8.25 4.65 0.00 1.92 1.97 0.00 3.29 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 95 S 7.98 4.45 0.00 3.94 3.84 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 96 G 8.51 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 0.00 0.00 0.00 97 K 8.52 4.86 0.00 1.72 1.70 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.42 7.81 98 V 8.04 4.62 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 0.84 0.00 0.00 0.94 0.00 0.00 99 T 8.97 5.11 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 1.30 0.00 0.00 100 A 9.24 5.20 1.23 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 0.00 0.00 0.00 101 R 9.06 5.11 0.00 1.93 1.74 0.00 2.82 0.00 0.00 2.71 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 102 A 9.22 5.45 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 0.00 103 T 9.48 5.35 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 1.33 0.00 0.00 104 P 0.00 3.38 0.00 1.36 0.49 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 105 I 8.18 4.10 1.89 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 1.06 0.59 0.85 0.00 0.00 106 N 7.46 4.67 0.00 2.65 2.53 0.00 0.00 6.97 6.66 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 0.00 107 L 8.59 4.85 0.00 1.45 1.55 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.92 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.59 4.09 0.00 1.82 2.02 0.00 3.33 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 110 N 8.13 5.00 0.00 2.72 2.82 0.00 0.00 6.88 7.21 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 0.00 111 I 7.53 5.20 1.89 0.00 0.00 nan 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 1.00 0.94 0.00 0.00 112 Q 9.28 5.12 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 113 V 8.83 4.97 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 0.94 0.00 0.00 0.94 0.00 0.00 114 W 9.52 4.98 0.00 3.28 3.14 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 0.00 0.00 0.00 0.00 115 Q 9.23 4.87 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 116 I 8.80 5.76 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 1.45 1.19 1.01 0.00 0.00 117 D 8.82 5.45 0.00 2.56 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 0.00 118 I 8.88 5.11 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.98 0.00 0.00 119 R 9.20 5.23 0.00 1.84 1.96 0.00 2.82 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 120 T 8.58 4.58 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 0.00 121 E 8.50 4.27 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 122 E 8.13 4.21 0.00 1.98 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 2.30 2.27 0.00 123 N 8.27 4.28 0.00 2.81 2.89 0.00 0.00 6.93 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 0.00 124 K 7.73 4.23 0.00 1.81 1.71 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.51 7.81 125 L 8.46 4.47 0.00 1.57 1.59 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.81 4.75 0.00 3.20 3.14 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 0.00 0.00 0.00 0.00 127 C 7.69 5.14 0.00 3.04 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 0.00 128 V 8.41 5.01 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 0.72 0.00 0.00 0.93 0.00 0.00 129 S 8.99 5.06 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 9.00 5.11 0.00 1.93 1.83 0.00 3.09 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 131 L 9.08 5.31 0.00 1.83 1.59 1.00 0.58 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 0.00 132 T 8.99 5.20 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 1.31 0.00 0.00 133 L 9.25 5.23 0.00 1.65 1.58 0.88 0.66 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 0.00 134 S 8.97 5.06 0.00 3.89 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 0.00 135 V 8.65 4.54 2.21 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 0.85 0.00 0.00 1.00 0.00 0.00 136 I 8.89 4.63 1.86 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 1.24 0.63 0.91 0.00 0.00 137 N 8.54 5.13 0.00 2.72 2.74 0.00 0.00 7.04 7.78 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 0.00 138 L 9.18 4.23 0.00 1.66 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.14 4.62 0.00 1.76 1.71 0.94 0.78 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 0.00 140 E 8.02 4.61 0.00 2.17 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 2.11 2.10 0.00 141 H 8.72 5.15 0.00 3.13 3.32 0.00 5.90 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.21 4.99 0.00 3.23 3.40 0.00 5.51 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.11 4.39 0.00 3.05 3.16 0.00 5.95 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.