NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4982 8.3193 117.1206 57.9769 63.9117 173.6742 3 T 4.1614 8.3256 116.1320 58.8738 69.7498 171.9770 4 I 2.2407 7.4757 122.6395 59.6687 39.0955 175.0843 5 P 4.3360 0.0000 0.0000 62.4139 32.1487 176.6190 6 S 4.3371 8.4514 115.0419 60.3205 62.7062 174.0438 7 E 4.7406 7.7342 118.5452 54.2733 30.7237 176.0068 8 I 3.8271 8.6579 124.8693 63.8436 37.4303 175.8976 9 I 4.1960 7.4058 119.1095 59.1850 39.1570 175.8709 10 N 4.5435 8.6632 124.5584 52.2099 38.1685 175.4592 11 W 3.9961 8.4374 128.1247 59.4037 29.0405 178.1295 12 T 3.9398 7.8772 115.3883 66.4589 68.2417 176.4783 13 I 3.8844 7.6158 121.2551 64.3198 37.3520 178.0812 14 L 3.8819 7.8144 121.1230 58.0591 41.7296 178.5415 15 N 4.4143 8.5736 116.7951 56.3845 38.1791 177.1283 16 E 4.0175 7.8966 118.9302 59.4017 29.7823 179.1656 17 I 4.0505 7.7039 119.3217 64.6040 37.2846 178.4026 18 I 3.9066 8.1435 121.0376 64.3020 36.7058 178.4203 19 S 4.2624 8.4262 114.4485 60.8850 62.7244 175.3828 20 M 4.4246 7.8635 120.8580 54.7706 32.2041 175.5803 21 D 4.7711 7.8886 120.4221 54.0310 42.2069 175.7381 *26 D 4.6616 8.4270 118.1649 54.7048 42.7487 177.8965 27 F 4.2625 8.1524 120.5228 61.3323 39.3284 177.0090 28 S 3.5979 9.2745 113.9351 61.2219 62.7018 176.3611 29 K 3.3916 7.9020 122.8991 58.8779 31.8773 178.7879 30 G 3.5078 8.1387 106.2503 47.6856 0.0000 175.4040 31 L 3.8288 7.5708 122.7066 57.9103 41.9503 179.1901 32 I 3.7872 7.8460 120.2044 64.2817 36.9931 178.5360 33 I 3.6928 7.9334 120.9976 64.3210 36.9245 178.0972 34 Q 3.9579 8.3151 120.7369 59.2006 28.8180 178.3462 35 F 3.9845 8.2040 121.5269 61.2283 39.4601 177.0807 36 I 3.9207 8.1044 119.6413 64.6752 36.9191 178.1965 37 D 4.2983 8.1156 119.5700 57.2978 40.5567 178.5470 38 Q 3.8322 8.0151 119.8605 59.1106 28.9729 178.2812 39 A 3.0042 7.5042 122.0414 54.7372 18.1473 179.6500 40 Q 3.7964 7.5611 116.5023 59.2346 28.6871 179.0960 41 T 3.8088 7.8169 116.7163 66.9105 68.4211 176.7988 42 T 3.8073 7.8039 117.6933 66.7785 68.4175 176.8176 43 F 4.4564 7.9185 119.4903 60.5449 38.8728 177.6790 44 A 4.0368 8.2170 120.5551 55.2215 18.1819 179.7428 45 Q 3.9619 8.3453 116.9244 59.2188 28.7456 178.8932 46 M 4.0497 8.4459 120.1917 58.3413 32.0295 178.4461 47 Q 3.9438 8.3040 119.8829 59.1882 29.1993 178.1998 48 R 3.8850 8.0834 119.6251 59.7733 30.0740 178.4615 49 Q 3.9929 8.0238 117.5396 58.9870 28.4681 178.8085 50 L 4.0481 7.7370 119.0174 57.6835 41.7512 178.7325 51 D 4.7059 8.2385 117.2253 53.3667 41.2790 177.4622 52 G 3.7215 8.3449 105.0504 45.3768 0.0000 174.2763 53 E 3.9363 9.5838 123.3768 57.2029 30.5643 175.5476 54 K 3.7627 8.1992 116.8487 57.0573 30.4325 175.7749 55 N 4.5820 8.2962 117.6821 52.7319 39.3131 174.0545 56 L 4.0311 8.3990 129.4960 58.0770 41.7747 179.5727 57 T 3.8537 8.0779 115.9500 66.5151 68.2587 176.3253 58 E 3.9649 8.1939 120.8037 58.8852 29.6849 178.5771 59 L 3.9576 7.9630 119.2968 57.6289 41.6330 178.6859 60 D 4.3214 8.3775 118.3352 57.6028 41.1583 178.0466 61 N 4.3249 8.2307 116.7129 56.5675 38.5825 177.4440 62 L 4.1878 8.3909 120.6756 57.6318 41.6875 179.6834 63 G 3.6846 8.5147 106.1959 48.0522 0.0000 175.1224 64 H 4.1323 8.3889 120.7603 58.8912 30.0502 176.9488 65 F 4.1800 8.3555 122.3573 61.5230 39.2987 176.8965 66 L 3.8273 7.9878 119.5585 57.2893 41.7497 178.5338 67 K 3.9813 8.2155 120.2200 59.4843 31.9606 178.9124 68 G 3.4835 7.6385 105.9264 47.7949 0.0000 175.9230 69 S 4.0491 7.4494 116.9484 61.2698 62.6404 176.8300 70 S 3.6381 8.1394 116.6901 61.3925 62.6230 176.3058 71 A 3.9156 8.2077 124.4601 54.7821 17.9111 179.5157 72 A 3.9816 7.6107 117.9435 54.3864 18.4992 178.7816 73 L 4.3011 7.3435 114.9716 54.0338 42.2764 177.4407 74 G 3.7290 7.6762 107.8743 46.4401 0.0000 174.2311 75 L 4.3027 7.7497 124.0263 52.7083 38.9687 177.1786 76 Q 4.1437 7.8080 120.7899 58.5727 29.3277 178.7017 77 R 4.0579 7.9505 120.2158 59.1766 30.2100 178.4651 78 I 3.8863 7.9497 118.9748 64.4801 37.1814 178.1016 79 A 4.1160 8.0181 122.6954 54.3071 18.2445 179.4335 80 W 4.0238 8.2697 126.6689 60.7029 30.7528 178.2995 81 V 3.6459 8.3751 118.1794 66.2873 30.9187 177.5988 82 C 4.0796 8.4189 116.6205 62.9689 27.9900 175.8401 83 E 3.8779 8.0952 120.7343 59.1165 29.1612 179.0698 84 R 3.7348 7.5727 118.1852 59.1948 30.0167 178.9421 85 I 3.6288 7.7627 119.7346 64.5331 37.1003 178.4620 86 Q 3.9715 8.2155 118.8363 59.1287 28.4868 178.7439 87 N 4.3696 8.1424 117.4587 56.1013 38.4782 177.5287 88 L 4.2004 8.4756 121.1021 57.8780 41.5499 179.8799 89 G 3.5521 8.2176 104.5466 47.1629 0.0000 175.0122 90 R 4.1482 7.7094 117.7575 55.1596 30.6922 176.1933 91 K 3.1690 7.6142 117.3945 57.7943 29.7529 176.0792 92 M 4.4882 8.3398 117.9200 55.4658 33.2926 176.4701 93 E 4.9436 7.9242 116.9009 55.0240 33.5106 174.5840 94 H 4.9705 8.4249 115.2689 55.0800 29.1588 173.0131 95 F 5.0276 8.0722 116.2050 57.2077 42.9817 174.0374 96 F 4.7915 8.5588 123.3875 56.4588 42.1277 172.5177 97 P 4.4220 0.0000 0.0000 62.2162 32.0054 176.1006 98 N 4.8440 8.6881 118.8544 51.9726 39.8537 176.2497 99 K 4.5100 8.3938 122.1495 59.4426 32.2435 178.7876 100 T 3.8877 7.9487 115.6176 66.5442 68.2293 176.2565 101 E 3.9326 8.3531 119.3241 59.4845 29.8467 179.2334 102 L 4.0400 7.8340 118.8498 57.8928 41.8900 179.9263 103 V 3.7952 8.2611 112.0522 63.6312 31.2655 177.8242 104 N 4.5705 7.9366 115.5439 55.0273 38.2163 176.1953 105 T 4.1994 7.7086 110.7359 61.0226 69.4890 174.6531 106 L 4.3301 7.1658 122.8184 54.9008 42.4602 177.6270 107 S 4.1457 8.9296 117.9171 60.7143 63.1810 173.0370 108 D 4.7293 7.6963 119.4242 51.2858 42.0121 175.1110 109 K 4.1296 8.4769 127.8886 58.3541 32.2989 178.1490 110 S 4.3447 8.0720 115.5619 60.8404 62.4832 175.9859 111 I 3.6866 7.3866 121.3125 63.3885 37.7884 176.8999 112 I 4.1268 7.9629 119.7148 61.6613 37.1966 175.4625 113 N 4.3093 7.8557 119.4643 54.6551 38.7254 175.6532 114 G 3.9502 9.6218 110.9707 45.6255 0.0000 172.8217 115 I 4.5603 7.2390 110.9985 58.6306 40.6983 174.2757 116 N 4.6304 8.6031 121.4729 52.4297 38.7050 175.7450 117 I 3.8477 8.3965 119.8379 62.8880 38.0402 176.2138 118 D 4.7581 8.4387 120.7528 53.8752 41.3515 177.4425 119 E 3.8595 8.2135 121.8871 59.3615 29.4767 177.4686 120 D 4.8170 7.8838 114.4726 53.9558 41.1677 176.2190 121 D 4.7046 7.9726 120.1747 54.6246 41.2738 175.6188 122 E 4.7844 9.4146 121.9400 54.4318 33.1216 174.4836 123 E 4.8073 8.4808 117.6034 54.4734 32.9505 173.9749 124 I 4.6797 9.1031 113.5523 60.9849 40.1266 173.9972 125 K 4.5446 8.5350 126.2122 54.2998 33.6217 169.4541 *132 D 4.3784 8.0510 122.8536 52.9980 41.5583 175.1671 133 E 3.9649 9.0280 127.5338 59.8775 29.5239 178.5016 134 N 4.6636 8.7701 115.8506 55.9409 38.4523 177.4876 135 S 4.1130 7.9151 116.7928 61.5396 62.9624 176.3975 136 I 3.5084 7.2625 121.5345 64.7982 36.7319 178.1454 137 Y 4.0856 7.5646 116.7364 60.8747 37.7515 178.0930 138 L 4.0154 8.2466 120.1729 57.8479 41.6987 179.6366 139 I 3.7053 7.9408 119.8712 64.2930 36.9163 178.5388 140 L 4.0142 7.7079 119.4563 57.7231 41.4481 179.6049 141 I 3.5201 8.1083 119.9699 64.0770 37.0154 178.1263 142 A 3.9080 8.0866 121.7923 55.2232 18.2149 179.6382 143 K 3.8534 7.9791 117.7488 59.5646 32.2363 178.9317 144 A 3.2072 7.7821 121.4141 54.3771 18.0099 179.3029 145 L 3.6637 8.1928 119.3132 58.4120 42.2379 178.9467 146 N 4.2123 8.1063 116.3244 56.2918 38.3856 177.1104 147 Q 4.0491 8.1092 120.8316 59.4125 29.1776 178.4385 148 S 4.2038 8.5150 116.4014 61.8035 62.8449 176.9944 149 R 3.7454 7.9480 120.9128 58.9828 29.6795 178.9101 150 L 4.0067 7.8103 119.6058 58.3288 42.1288 178.8296 151 E 4.0652 8.4755 118.6120 59.3032 29.2872 179.2340 152 F 4.5312 8.6684 120.7922 61.3381 39.5304 176.8978 153 K 3.7236 8.2474 119.2330 59.6544 31.8937 178.6091 154 L 3.9730 8.3779 119.1711 57.6546 41.4866 179.2242 155 A 4.0044 8.2193 120.7643 55.4345 18.2676 179.8907 156 R 3.8456 8.2173 116.8104 59.2898 30.0512 179.3724 157 I 3.7050 7.9375 119.6332 64.4209 37.1892 178.2469 158 E 4.0509 8.3438 119.2672 59.6216 29.3141 179.4645 159 L 4.2619 8.3834 119.2868 58.0777 41.6922 179.8100 160 S 4.9557 8.7892 116.8973 60.9867 62.4835 176.8824 161 K 4.0338 8.2687 121.6226 60.1669 32.0801 178.6473 162 Y 3.9273 8.1038 119.7923 60.2819 38.8954 176.7346 163 Y 4.3515 8.2608 114.2933 56.9518 38.4223 174.9752 164 N 4.2595 7.6895 116.0785 53.6451 37.2081 173.9654 165 T 4.4706 7.7837 109.1308 60.7782 70.7921 172.1478 166 N 4.4830 8.8352 125.6312 53.6736 38.5590 175.1871 167 L 4.3146 8.8361 123.5414 54.7569 41.9786 176.6111 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 S 8.32 4.50 0.00 3.65 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 3 T 8.33 4.16 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 1.12 0.00 0.00 4 I 7.48 2.24 0.56 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 1.02 0.27 0.39 0.00 0.00 5 P 0.00 4.34 0.00 2.02 1.92 0.00 3.58 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 6 S 8.45 4.34 0.00 3.79 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 7 E 7.73 4.74 0.00 2.00 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 2.29 0.00 8 I 8.66 3.83 1.89 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 1.44 1.16 0.92 0.00 0.00 9 I 7.41 4.20 1.33 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.43 -0.71 0.00 0.00 10 N 8.66 4.54 0.00 2.81 2.60 0.00 0.00 6.83 7.56 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 11 W 8.44 4.00 0.00 3.46 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 12 T 7.88 3.94 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 1.23 0.00 0.00 13 I 7.62 3.88 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.00 0.87 0.00 0.00 14 L 7.81 3.88 0.00 1.49 1.21 0.78 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.57 4.41 0.00 2.95 2.94 0.00 0.00 6.97 8.47 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 16 E 7.90 4.02 0.00 2.20 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 2.37 2.51 0.00 17 I 7.70 4.05 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.61 0.99 0.00 0.00 18 I 8.14 3.91 1.99 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 1.79 0.81 1.09 0.00 0.00 19 S 8.43 4.26 0.00 4.04 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 20 M 7.86 4.42 0.00 1.81 2.40 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 21 D 7.89 4.77 0.00 2.92 2.77 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 *26 D 8.43 4.66 0.00 2.80 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 27 F 8.15 4.26 0.00 3.18 3.33 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 28 S 9.27 3.60 0.00 4.11 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 0.00 29 K 7.90 3.39 0.00 1.51 1.67 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.16 0.93 7.81 30 G 8.14 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 3.83 0.00 1.20 1.43 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.85 3.79 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.70 0.90 0.00 0.00 33 I 7.93 3.69 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.89 0.00 0.00 34 Q 8.32 3.96 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 35 F 8.20 3.98 0.00 3.19 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 36 I 8.10 3.92 2.09 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 1.70 0.81 1.03 0.00 0.00 37 D 8.12 4.30 0.00 2.69 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 38 Q 8.02 3.83 0.00 2.10 1.92 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 2.25 2.53 0.00 39 A 7.50 3.00 -0.13 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 0.00 0.00 0.00 40 Q 7.56 3.80 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 41 T 7.82 3.81 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 42 T 7.80 3.81 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 1.25 0.00 0.00 43 F 7.92 4.46 0.00 2.96 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 44 A 8.22 4.04 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 45 Q 8.35 3.96 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 46 M 8.45 4.05 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.58 0.00 47 Q 8.30 3.94 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 48 R 8.08 3.88 0.00 2.05 2.02 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 49 Q 8.02 3.99 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 50 L 7.74 4.05 0.00 1.77 1.72 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.24 4.71 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.34 3.72 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 0.00 0.00 0.00 53 E 9.58 3.94 0.00 1.93 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 54 K 8.20 3.76 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.57 7.81 55 N 8.30 4.58 0.00 2.75 2.83 0.00 0.00 7.28 6.22 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 56 L 8.40 4.03 0.00 1.67 1.83 0.86 0.76 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 57 T 8.08 3.85 4.47 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 1.20 0.00 0.00 58 E 8.19 3.96 0.00 2.05 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 2.34 2.43 0.00 59 L 7.96 3.96 0.00 1.88 1.69 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.38 4.32 0.00 2.81 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 61 N 8.23 4.32 0.00 2.92 2.85 0.00 0.00 7.12 6.29 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 62 L 8.39 4.19 0.00 1.82 1.76 0.91 0.83 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 63 G 8.51 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 64 H 8.39 4.13 0.00 3.51 3.59 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.36 4.18 0.00 3.16 3.23 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 66 L 7.99 3.83 0.00 1.77 1.63 0.60 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.22 3.98 0.00 1.99 1.92 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 68 G 7.64 3.48 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 0.00 0.00 0.00 0.00 69 S 7.45 4.05 0.00 3.89 4.14 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 70 S 8.14 3.64 0.00 4.20 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 0.00 71 A 8.21 3.92 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 72 A 7.61 3.98 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 73 L 7.34 4.30 0.00 1.16 1.40 0.58 1.26 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 74 G 7.68 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 0.00 0.00 0.00 75 L 7.75 4.30 0.00 1.45 1.54 0.30 0.51 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 76 Q 7.81 4.14 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 77 R 7.95 4.06 0.00 1.94 2.19 0.00 3.33 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 78 I 7.95 3.89 2.17 0.00 0.00 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 1.86 0.80 1.16 0.00 0.00 79 A 8.02 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 8.27 4.02 0.00 3.59 3.48 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 0.00 81 V 8.38 3.65 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 1.18 0.00 0.00 1.48 0.00 0.00 82 C 8.42 4.08 0.00 3.22 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 83 E 8.10 3.88 0.00 2.00 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 2.15 2.26 0.00 84 R 7.57 3.73 0.00 1.91 1.97 0.00 2.21 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.73 0.00 85 I 7.76 3.63 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.88 0.00 0.00 86 Q 8.22 3.97 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 87 N 8.14 4.37 0.00 2.89 2.86 0.00 0.00 7.05 6.09 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 88 L 8.48 4.20 0.00 1.79 1.81 0.86 1.05 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 89 G 8.22 3.55 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 0.00 90 R 7.71 4.15 0.00 1.75 1.91 0.00 3.28 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 91 K 7.61 3.17 0.00 1.57 1.31 0.00 1.37 0.00 0.00 1.21 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.87 7.81 92 M 8.34 4.49 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.74 0.00 93 E 7.92 4.94 0.00 1.97 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 0.00 2.26 2.30 0.00 94 H 8.42 4.97 0.00 2.75 3.26 0.00 5.48 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.07 5.03 0.00 3.03 2.92 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 96 F 8.56 4.79 0.00 2.97 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 97 P 0.00 4.42 0.00 1.89 1.96 0.00 2.20 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 98 N 8.69 4.84 0.00 3.06 3.01 0.00 0.00 6.97 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.39 4.51 0.00 1.90 1.88 0.00 1.96 0.00 0.00 1.95 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.64 7.81 100 T 7.95 3.89 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 1.21 0.00 0.00 101 E 8.35 3.93 0.00 2.14 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 2.32 2.43 0.00 102 L 7.83 4.04 0.00 1.88 1.71 0.73 1.00 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 0.00 103 V 8.26 3.80 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 1.02 0.00 0.00 0.98 0.00 0.00 104 N 7.94 4.57 0.00 2.93 2.84 0.00 0.00 6.96 7.16 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 0.00 105 T 7.71 4.20 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 1.16 0.00 0.00 106 L 7.17 4.33 0.00 1.77 1.65 0.93 0.71 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 0.00 107 S 8.93 4.15 0.00 4.01 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 0.00 108 D 7.70 4.73 0.00 2.72 2.56 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 0.00 109 K 8.48 4.13 0.00 1.86 1.78 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.49 7.81 110 S 8.07 4.34 0.00 4.09 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 0.00 111 I 7.39 3.69 1.90 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 1.55 0.84 0.98 0.00 0.00 112 I 7.96 4.13 2.06 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 1.54 0.42 0.92 0.00 0.00 113 N 7.86 4.31 0.00 2.78 2.76 0.00 0.00 6.85 8.77 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 0.00 114 G 9.62 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 0.00 0.00 0.00 115 I 7.24 4.56 1.88 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 1.26 0.75 0.92 0.00 0.00 116 N 8.60 4.63 0.00 2.83 2.76 0.00 0.00 6.83 7.72 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 0.00 117 I 8.40 3.85 1.90 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 1.43 0.73 0.93 0.00 0.00 118 D 8.44 4.76 0.00 2.88 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 0.00 119 E 8.21 3.86 0.00 2.03 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 2.35 2.33 0.00 120 D 7.88 4.82 0.00 2.72 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 0.00 121 D 7.97 4.70 0.00 2.72 2.60 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 0.00 122 E 9.41 4.78 0.00 1.90 1.79 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 2.22 2.34 0.00 123 E 8.48 4.81 0.00 2.01 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 2.15 2.24 0.00 124 I 9.10 4.68 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 1.26 0.72 1.01 0.00 0.00 125 K 8.53 4.54 0.00 1.91 1.75 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.13 0.71 7.81 *132 D 8.05 4.38 0.00 2.69 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 0.00 133 E 9.03 3.96 0.00 2.11 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 2.54 2.48 0.00 134 N 8.77 4.66 0.00 3.02 2.91 0.00 0.00 7.07 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.92 4.11 0.00 3.97 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 0.00 136 I 7.26 3.51 1.15 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.85 0.47 0.00 0.00 137 Y 7.56 4.09 0.00 3.01 3.10 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 0.00 138 L 8.25 4.02 0.00 1.69 1.72 0.97 0.69 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 0.00 139 I 7.94 3.71 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.89 0.00 0.00 140 L 7.71 4.01 0.00 1.82 1.73 0.84 0.88 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 0.00 141 I 8.11 3.52 1.96 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 1.40 0.60 0.85 0.00 0.00 142 A 8.09 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.98 3.85 0.00 1.86 1.97 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.37 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.55 7.81 144 A 7.78 3.21 0.40 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 0.00 145 L 8.19 3.66 0.00 1.67 1.76 0.66 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.11 4.21 0.00 2.90 3.00 0.00 0.00 6.71 6.90 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 0.00 147 Q 8.11 4.05 0.00 2.47 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 148 S 8.52 4.20 0.00 3.56 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 0.00 149 R 7.95 3.75 0.00 1.89 1.96 0.00 3.01 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.00 150 L 7.81 4.01 0.00 1.81 1.90 0.96 1.04 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 0.00 151 E 8.48 4.07 0.00 2.34 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 0.00 2.66 2.64 0.00 152 F 8.67 4.53 0.00 3.49 3.47 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 0.00 153 K 8.25 3.72 0.00 2.02 1.99 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 154 L 8.38 3.97 0.00 1.89 1.74 0.96 0.67 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 0.00 155 A 8.22 4.00 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 0.00 156 R 8.22 3.85 0.00 1.83 1.98 0.00 2.21 0.00 0.00 2.65 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.00 157 I 7.94 3.71 2.06 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 1.53 0.82 0.94 0.00 0.00 158 E 8.34 4.05 0.00 2.18 2.16 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 2.54 2.56 0.00 159 L 8.38 4.26 0.00 1.82 1.94 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.79 4.96 0.00 4.08 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 0.00 161 K 8.27 4.03 0.00 2.04 2.12 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.61 7.81 162 Y 8.10 3.93 0.00 3.14 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 8.26 4.35 0.00 3.18 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 0.00 164 N 7.69 4.26 0.00 2.84 2.88 0.00 0.00 6.64 7.25 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 0.00 165 T 7.78 4.47 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 166 N 8.84 4.48 0.00 2.74 2.79 0.00 0.00 6.85 7.85 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 0.00 167 L 8.84 4.31 0.00 1.57 1.52 0.89 0.72 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 * Residues marked with a * may have inaccurate shift predictions.