NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 3.9979 8.2549 119.6236 54.9537 31.6303 175.0862 7 P 4.5523 0.0000 0.0000 62.7858 32.7412 173.7151 8 L 5.2847 9.5947 122.7165 52.9241 45.3386 177.5625 9 R 3.7698 8.5422 119.4863 59.7190 29.9851 178.9701 10 E 4.2203 8.1470 114.8018 58.4825 29.4816 177.3572 11 Q 4.2216 8.2074 116.9693 56.1023 29.0925 174.9496 12 Y 4.5451 7.9406 115.5588 56.1622 40.6673 175.4084 13 L 4.6252 8.2325 119.8071 55.2781 43.7905 176.3473 14 H 4.8870 7.7816 117.7284 54.2942 33.6625 172.1168 15 F 5.2122 8.2365 121.8958 55.7719 42.4802 174.0834 16 Q 4.7991 8.6102 120.1575 54.0562 31.3888 172.6092 17 P 4.8250 0.0000 0.0000 62.9528 32.9399 175.3475 18 I 4.5504 8.5711 121.7374 59.5150 41.2603 174.4297 19 S 4.8877 8.6670 124.1504 57.9447 64.8496 173.6184 20 T 4.8621 7.9671 111.2792 60.9309 71.1685 173.8952 21 R 5.0956 9.3972 121.4129 53.8610 32.9425 177.0176 22 W 3.2851 8.6603 130.6458 60.8558 30.4471 176.9984 23 H 4.4507 7.9970 113.8420 56.0821 29.3780 175.3896 24 D 4.3723 8.1456 120.9859 57.2000 40.8488 176.8452 25 N 4.5877 7.2812 115.0957 53.2209 39.1691 174.6559 26 D 4.6054 8.7126 122.5809 51.5167 41.8430 176.6242 27 I 3.6666 7.9443 118.0000 64.4067 37.7033 176.1392 28 Y 4.6058 7.3710 115.8325 57.9519 37.6193 176.3723 29 G 3.8828 8.7698 109.2860 45.2550 0.0000 172.9964 30 H 5.1888 7.5365 115.5914 53.1420 33.0729 173.2070 31 V 4.0123 8.7094 120.8170 63.6199 31.8756 175.5273 32 N 4.6619 9.1597 127.2363 53.2788 39.2975 175.7612 33 N 4.2128 8.7054 121.5957 55.3785 38.2116 177.4827 34 V 3.5880 8.0080 118.6827 66.2292 31.5080 177.9300 35 T 3.6625 7.9053 115.5179 66.6517 68.1347 175.8826 36 Y 3.3564 7.5954 118.4308 61.1482 37.7096 178.3975 37 Y 3.5518 7.6465 116.8120 60.4606 37.9166 178.0743 38 A 3.9897 7.6817 121.5645 55.0140 18.4262 179.3783 39 F 4.5209 7.8250 116.3392 60.8673 38.9310 177.7768 40 F 4.6438 8.0657 117.2385 61.0811 38.7357 177.4956 41 D 4.3512 8.3960 118.4267 57.7378 40.5936 179.1482 42 T 3.9531 8.1925 116.0727 66.4604 68.3474 176.8385 43 A 4.0640 8.4811 123.1262 55.0751 18.3575 179.9711 44 V 3.4594 8.1039 116.8616 66.3680 31.6136 178.1855 45 N 4.5004 8.5604 116.2722 56.3200 38.2014 177.6638 46 T 3.8901 8.1491 117.5656 66.7873 68.5926 175.9355 47 Y 3.9252 7.8485 121.5327 60.6254 38.7913 178.1120 48 L 4.0241 8.4640 120.2710 57.8627 41.2733 179.6098 49 I 3.8772 8.0089 119.8821 64.4576 36.8320 178.4335 50 E 3.7990 8.2029 118.3965 58.7636 29.5166 178.5844 51 R 4.3829 8.0212 115.8410 56.2288 31.6488 177.7835 52 G 3.8874 7.7135 103.0057 43.6748 0.0000 174.1615 53 G 3.8817 7.4886 110.4512 46.6082 0.0000 174.5630 54 L 3.9531 7.9216 122.1523 55.0608 41.3176 181.2438 *55 D 4.9137 8.4338 123.0884 50.1702 39.7366 174.1014 56 I 4.1111 8.2706 122.1744 63.3367 38.2001 178.7455 57 Q 4.2708 8.1965 118.9598 56.8376 28.4090 181.4315 58 G 4.2205 7.8694 102.3172 44.3980 0.0000 172.7791 59 G 3.7665 8.4184 109.3650 45.4856 0.0000 173.6356 60 E 4.3042 8.6893 121.2815 56.8792 31.1385 175.6683 61 V 5.1407 7.8555 118.8588 61.0020 33.9698 174.6346 62 I 4.8772 9.0692 120.2603 59.2324 41.5432 173.9377 63 G 3.5365 8.5660 110.0745 44.3979 0.0000 172.9126 64 L 4.9393 8.3717 124.2405 52.4922 45.2023 175.9421 65 V 4.4538 8.4901 123.1162 63.2525 31.4740 175.8154 66 V 4.5315 8.7617 120.8595 61.7556 33.8365 175.7074 67 S 4.8753 7.9703 113.6814 57.6236 66.2467 173.1410 68 S 5.5064 8.4779 113.8968 58.0324 65.6918 173.3685 69 S 4.9899 9.2592 114.2459 58.0350 66.4181 172.7719 70 C 5.1083 8.6409 120.1550 58.1247 34.6596 172.4989 71 D 4.7793 8.9120 124.5607 52.4746 43.6993 174.5465 72 Y 4.2936 8.1652 119.6111 56.4764 39.5617 174.7727 73 F 5.0581 9.5549 122.9809 58.5328 40.9961 176.3237 74 A 4.7832 7.9400 118.4276 49.4946 22.1076 173.6442 75 P 4.7074 0.0000 0.0000 62.7330 32.7243 175.5011 76 V 4.8965 8.4206 119.2357 61.5045 35.5846 173.7977 77 A 5.1242 9.2000 124.7366 50.1323 22.9010 175.8308 78 F 4.7130 9.4414 122.9774 57.6907 39.9236 173.7485 79 P 4.2653 0.0000 0.0000 62.0518 30.4590 175.6026 80 Q 4.1319 8.4469 118.0797 57.3960 30.1035 175.7876 81 R 4.7307 8.4438 122.2681 54.8252 31.8644 175.2111 82 I 4.6625 8.3041 126.7255 60.0061 40.3030 174.7392 83 E 4.8121 8.6730 126.1797 54.4426 33.1719 174.4818 *85 G 3.7726 8.4197 104.2384 46.2696 0.0000 171.9349 86 L 5.3629 8.3768 124.0979 53.2946 45.9994 175.1520 87 R 4.9547 9.3055 121.4733 54.9444 33.8248 173.4574 88 V 4.3120 8.5437 119.4620 62.9555 33.0912 173.5733 89 A 4.0609 9.6285 133.9256 54.2819 18.1564 179.2134 90 R 4.3171 8.8188 117.1966 54.5843 32.4391 179.2164 91 L 4.8044 8.4144 123.4045 53.0279 44.0000 175.5794 92 G 4.1825 8.9856 122.9302 45.3614 0.0000 172.5525 93 N 4.4871 8.9154 115.7446 55.1245 38.0914 173.0453 94 S 4.9063 8.3007 110.5838 56.6303 63.9682 172.9502 95 S 5.3780 7.6711 115.0068 57.3365 66.8462 173.0416 96 V 4.6747 8.6435 119.6148 60.1576 35.0704 173.6461 97 Q 4.4962 9.0061 125.7323 54.7466 30.6569 173.7099 98 Y 4.8828 8.3827 125.3069 56.9049 40.1374 174.4630 99 E 5.0870 9.3846 122.8848 54.6740 32.4934 175.1999 100 L 5.2025 9.2611 123.3040 53.0601 46.3816 175.2609 101 A 4.9203 7.9924 121.0700 50.5444 22.5167 175.5862 102 L 4.8013 8.6738 121.0424 53.1227 44.3157 175.8213 103 F 5.2413 9.0510 120.8686 55.7691 43.2601 174.1582 104 L 4.9067 8.5214 121.1514 52.7479 43.4178 176.0917 105 E 3.8823 8.8336 121.2618 58.3211 29.7133 177.3034 106 G 3.9387 8.8980 110.3992 46.2044 0.0000 172.4321 107 Q 4.6599 7.6576 120.0702 53.7343 30.9824 175.9560 108 R 4.0981 8.7423 124.5291 58.9570 30.5417 177.1243 109 E 4.6230 8.0164 115.7514 55.2423 30.5161 176.0871 110 A 3.9213 8.4502 124.5335 52.4635 18.5781 177.8331 111 C 4.5678 9.1395 118.9274 62.6822 29.4750 173.6942 112 A 4.8735 7.8952 117.7692 50.7636 22.6270 175.1119 113 A 4.9223 8.6160 120.7869 51.1298 23.1891 176.1887 114 G 3.9973 8.5041 107.0527 46.1222 0.0000 171.9791 115 R 5.4000 8.7004 118.1711 55.2052 35.2463 174.3183 116 F 5.4539 8.9269 114.6071 56.2145 41.9154 172.8035 117 V 5.2422 8.8174 120.0480 60.7948 34.1485 173.8907 118 H 5.4427 8.6905 124.6059 54.5843 31.0049 173.8731 119 V 4.7338 8.4561 123.1678 61.2299 33.5245 174.6916 120 F 4.8404 9.3200 127.7723 57.3050 40.2475 174.9366 121 V 5.0018 9.1078 122.3092 61.0226 35.7083 174.0467 122 E 4.4936 9.2410 126.4623 56.4162 29.8761 178.0188 123 R 3.7083 8.9125 127.8883 60.4126 30.2681 178.3605 124 R 3.9726 8.4571 115.9481 59.0872 29.4467 179.2120 125 S 4.4631 8.0654 114.3498 58.2081 64.0589 175.0830 126 S 3.8455 8.0662 118.5020 59.5656 60.2791 178.2753 127 R 4.4907 8.1083 121.3614 56.3714 30.5323 177.5594 128 P 4.9385 0.0000 0.0000 62.6266 32.1704 176.1060 129 V 4.6882 8.7110 115.3606 58.9439 36.1053 174.9679 130 A 4.3786 8.6390 124.2410 52.2496 18.9869 177.6030 131 I 3.7154 8.1910 123.1627 60.5071 37.8394 174.8317 132 P 4.3126 0.0000 0.0000 62.4371 32.2012 176.9856 133 Q 4.0065 9.1311 124.3935 60.0857 28.4731 180.1776 134 E 4.0131 8.3319 120.7766 61.7833 29.6650 181.5216 135 L 4.1217 7.7089 122.8429 59.4307 41.0282 180.9469 136 R 4.1310 8.4170 122.3248 60.0225 29.9863 179.6084 137 D 4.3666 8.4164 120.6172 58.2618 39.6001 180.4753 138 A 4.3594 7.6613 121.1355 54.9704 18.5457 179.5081 139 L 4.1998 8.1266 117.4936 57.8705 41.8589 179.3501 140 A 4.0949 8.4006 120.8299 55.0873 18.0613 179.3455 141 A 4.1206 8.0018 118.1783 54.2487 18.5587 178.1323 142 L 4.4504 7.8549 116.6304 54.5458 42.1893 176.8495 143 Q 4.6244 7.8348 123.5013 55.4691 28.6937 175.6350 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 6 R 8.25 4.00 0.00 1.46 1.55 0.00 2.77 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 7 P 0.00 4.55 0.00 2.40 2.44 0.00 3.58 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 8 L 9.59 5.28 0.00 1.70 1.59 1.01 0.89 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 9 R 8.54 3.77 0.00 1.57 1.71 0.00 2.75 0.00 0.00 2.89 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 10 E 8.15 4.22 0.00 1.96 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 2.31 2.37 0.00 11 Q 8.21 4.22 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 12 Y 7.94 4.55 0.00 2.86 2.85 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 13 L 8.23 4.63 0.00 1.52 1.67 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.78 4.89 0.00 3.01 2.81 0.00 5.53 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 15 F 8.24 5.21 0.00 2.91 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 16 Q 8.61 4.80 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 17 P 0.00 4.83 0.00 2.05 2.08 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 18 I 8.57 4.55 1.59 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 0.42 1.15 0.12 0.00 0.00 19 S 8.67 4.89 0.00 3.94 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 20 T 7.97 4.86 4.56 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 1.39 0.00 0.00 21 R 9.40 5.10 0.00 1.90 1.93 0.00 3.25 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 22 W 8.66 3.29 0.00 2.79 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 23 H 8.00 4.45 0.00 3.03 3.23 0.00 5.98 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.15 4.37 0.00 2.88 2.67 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 0.00 0.00 0.00 25 N 7.28 4.59 0.00 2.31 2.51 0.00 0.00 6.99 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 26 D 8.71 4.61 0.00 2.56 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 27 I 7.94 3.67 1.64 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 1.20 0.70 0.24 0.00 0.00 28 Y 7.37 4.61 0.00 3.08 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 29 G 8.77 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 30 H 7.54 5.19 0.00 3.18 3.37 0.00 5.83 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.71 4.01 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 1.01 0.00 0.00 32 N 9.16 4.66 0.00 2.69 2.57 0.00 0.00 6.63 6.65 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 33 N 8.71 4.21 0.00 2.16 2.32 0.00 0.00 5.77 7.68 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 34 V 8.01 3.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 35 T 7.91 3.66 4.13 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 0.00 0.00 0.54 0.00 0.00 36 Y 7.60 3.36 0.00 2.45 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.65 3.55 0.00 3.15 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 38 A 7.68 3.99 1.30 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 0.00 0.00 0.00 39 F 7.82 4.52 0.00 3.05 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 40 F 8.07 4.64 0.00 3.20 3.21 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 41 D 8.40 4.35 0.00 2.89 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 42 T 8.19 3.95 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 1.26 0.00 0.00 43 A 8.48 4.06 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 44 V 8.10 3.46 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 0.53 0.00 0.00 0.27 0.00 0.00 45 N 8.56 4.50 0.00 2.92 2.94 0.00 0.00 7.11 7.67 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 46 T 8.15 3.89 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 47 Y 7.85 3.93 0.00 2.97 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 48 L 8.46 4.02 0.00 1.99 1.83 1.37 1.16 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 49 I 8.01 3.88 1.88 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 1.67 0.99 0.91 0.00 0.00 50 E 8.20 3.80 0.00 1.96 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 2.33 2.39 0.00 51 R 8.02 4.38 0.00 0.72 1.47 0.00 3.18 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 52 G 7.71 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 53 G 7.49 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 54 L 7.92 3.95 0.00 1.70 1.49 0.92 0.97 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 *55 D 8.43 4.91 0.00 2.57 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 56 I 8.27 4.11 1.90 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 1.30 1.03 0.96 0.00 0.00 57 Q 8.20 4.27 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.24 1.92 0.00 58 G 7.87 4.22 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 0.00 59 G 8.42 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.69 4.30 0.00 2.08 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 2.35 2.31 0.00 61 V 7.86 5.14 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 1.11 0.00 0.00 0.97 0.00 0.00 62 I 9.07 4.88 1.90 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 1.32 1.11 0.96 0.00 0.00 63 G 8.57 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 64 L 8.37 4.94 0.00 1.53 1.53 0.91 0.98 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 65 V 8.49 4.45 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 0.81 0.00 0.00 0.89 0.00 0.00 66 V 8.76 4.53 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 0.77 0.00 0.00 0.97 0.00 0.00 67 S 7.97 4.88 0.00 3.90 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 68 S 8.48 5.51 0.00 4.22 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 69 S 9.26 4.99 0.00 4.00 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 70 C 8.64 5.11 0.00 2.43 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 0.00 0.00 0.00 0.00 71 D 8.91 4.78 0.00 2.13 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 0.00 0.00 0.00 72 Y 8.17 4.29 0.00 2.53 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 73 F 9.55 5.06 0.00 3.05 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 74 A 7.94 4.78 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 75 P 0.00 4.71 0.00 1.81 1.84 0.00 3.73 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 1.95 1.84 0.00 76 V 8.42 4.90 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 0.92 0.00 0.00 1.02 0.00 0.00 77 A 9.20 5.12 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 78 F 9.44 4.71 0.00 3.15 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 79 P 0.00 4.27 0.00 1.70 0.49 0.00 3.64 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 80 Q 8.45 4.13 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 81 R 8.44 4.73 0.00 1.77 1.78 0.00 3.18 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 82 I 8.30 4.66 1.78 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 1.10 0.92 0.86 0.00 0.00 83 E 8.67 4.81 0.00 2.08 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 2.46 2.36 0.00 *85 G 8.42 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.38 5.36 0.00 1.62 1.48 0.81 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.31 4.95 0.00 1.95 1.89 0.00 2.60 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 88 V 8.54 4.31 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 0.80 0.00 0.00 0.94 0.00 0.00 89 A 9.63 4.06 1.15 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 0.00 0.00 90 R 8.82 4.32 0.00 1.51 1.81 0.00 3.19 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.19 0.00 91 L 8.41 4.80 0.00 1.45 1.52 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.99 4.18 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 0.00 93 N 8.92 4.49 0.00 2.66 2.83 0.00 0.00 6.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.30 4.91 0.00 4.11 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 95 S 7.67 5.38 0.00 3.97 3.97 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 96 V 8.64 4.67 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 0.28 0.00 0.00 0.63 0.00 0.00 97 Q 9.01 4.50 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 98 Y 8.38 4.88 0.00 2.37 2.50 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 99 E 9.38 5.09 0.00 1.97 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 2.22 2.12 0.00 100 L 9.26 5.20 0.00 0.66 1.24 0.49 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.99 4.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.67 4.80 0.00 1.63 1.56 1.15 0.78 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 0.00 103 F 9.05 5.24 0.00 2.94 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 0.00 104 L 8.52 4.91 0.00 1.78 1.62 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.83 3.88 0.00 1.96 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 2.32 2.34 0.00 106 G 8.90 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 0.00 107 Q 7.66 4.66 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 108 R 8.74 4.10 0.00 1.88 1.98 0.00 3.24 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 109 E 8.02 4.62 0.00 1.99 1.86 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 2.32 2.33 0.00 110 A 8.45 3.92 0.93 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 0.00 0.00 111 C 9.14 4.57 0.00 3.00 3.36 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 0.00 112 A 7.90 4.87 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 0.00 113 A 8.62 4.92 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 0.00 114 G 8.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 5.40 0.00 1.81 1.83 0.00 3.17 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 116 F 8.93 5.45 0.00 3.30 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 0.00 117 V 8.82 5.24 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 1.07 0.00 0.00 0.93 0.00 0.00 118 H 8.69 5.44 0.00 3.17 2.59 0.00 5.66 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 0.00 119 V 8.46 4.73 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 1.07 0.00 0.00 0.95 0.00 0.00 120 F 9.32 4.84 0.00 3.09 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 0.00 121 V 9.11 5.00 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 1.08 0.00 0.00 1.03 0.00 0.00 122 E 9.24 4.49 0.00 1.96 1.88 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 2.35 2.29 0.00 123 R 8.91 3.71 0.00 1.86 1.98 0.00 3.30 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 124 R 8.46 3.97 0.00 1.87 1.81 0.00 3.30 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 125 S 8.07 4.46 0.00 3.97 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 0.00 126 S 8.07 3.85 0.00 3.80 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.11 4.49 0.00 1.47 1.82 0.00 3.24 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 128 P 0.00 4.94 0.00 1.95 2.05 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 129 V 8.71 4.69 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 1.00 0.00 0.00 1.05 0.00 0.00 130 A 8.64 4.38 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 0.00 131 I 8.19 3.72 1.77 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.84 0.55 0.00 0.00 132 P 0.00 4.31 0.00 2.10 1.93 0.00 3.36 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 133 Q 9.13 4.01 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 134 E 8.33 4.01 0.00 1.97 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 2.32 1.96 0.00 135 L 7.71 4.12 0.00 1.64 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.42 4.13 0.00 1.90 1.99 0.00 3.12 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 137 D 8.42 4.37 0.00 2.68 2.67 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 0.00 0.00 0.00 138 A 7.66 4.36 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 0.00 139 L 8.13 4.20 0.00 1.84 1.72 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.40 4.09 1.31 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 0.00 0.00 141 A 8.00 4.12 1.49 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 0.00 0.00 142 L 7.85 4.45 0.00 1.71 1.53 0.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.83 4.62 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.