NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.3517 8.4444 118.7942 55.6853 31.9033 175.2545 15 E 4.4295 7.2440 119.7298 55.0452 32.5304 173.9383 16 R 4.1795 9.3252 115.3708 58.0886 31.0842 178.0356 17 S 4.2250 8.0164 115.7812 61.5003 62.9334 175.6792 18 L 4.0525 7.6513 122.3675 58.3909 41.8685 178.9211 19 A 3.9779 8.0522 119.5936 55.1620 18.1550 179.2334 20 A 3.8643 8.1550 118.4871 55.3400 18.5241 179.6795 21 I 3.7937 8.4323 118.2809 64.5604 37.3071 177.6901 22 D 4.5286 8.3237 118.4308 57.0867 41.2294 178.6716 23 S 4.3167 7.6269 114.5362 57.2685 63.5421 174.2118 *25 I 3.8735 7.3348 121.8037 61.8425 38.3908 175.4697 26 D 4.3940 8.5682 124.3506 53.8656 41.5416 175.2223 27 P 4.2444 0.0000 0.0000 65.7419 31.5540 177.1685 28 D 4.3641 8.9756 117.7351 57.1994 40.7958 176.8100 29 I 4.0638 7.8167 119.8677 60.6517 36.0498 174.9645 30 S 4.6291 8.2933 119.0693 56.8414 66.0229 174.5235 31 G 3.6346 8.3842 108.1176 43.9768 0.0000 172.2161 32 P 3.9916 0.0000 0.0000 61.8346 30.5447 178.2859 *34 R 4.2170 7.9768 119.3965 56.6686 32.3892 176.6420 35 H 4.1758 8.1563 117.0111 59.2488 29.8659 177.2925 36 I 3.6890 7.6745 121.1571 64.3968 36.9817 178.4120 37 V 3.6059 7.6717 118.5387 66.0425 31.4275 177.9665 38 V 3.6584 7.8688 117.9486 66.0626 31.2832 178.2073 39 K 4.0309 8.1451 118.0825 59.0981 31.8496 179.2397 40 A 4.3039 7.9079 122.5374 54.8249 18.3368 179.7950 41 I 3.7221 7.8651 118.3807 64.7849 36.9454 178.2222 42 H 4.1441 8.1581 118.0388 59.1759 29.7693 176.9543 43 A 4.1398 8.1350 121.6491 54.7531 18.3101 178.8731 44 A 4.2014 7.9629 117.7502 52.1132 19.0087 177.4255 45 G 3.7970 7.5408 104.8264 45.4391 0.0000 173.7459 46 D 4.2271 7.4621 117.5214 52.8330 43.7338 175.6684 47 F 4.6628 8.4911 126.1048 60.1693 39.3946 177.3210 48 A 4.0779 8.4918 123.8917 55.1999 18.2522 178.6303 49 I 3.9665 7.6049 106.2125 62.1278 38.1654 177.6985 50 A 4.0300 8.2239 125.6596 55.2513 18.0862 177.8037 51 P 4.5375 0.0000 0.0000 64.0484 31.7836 177.1929 52 L 4.4045 7.9809 118.3178 55.3588 42.3437 176.5341 53 I 4.4265 7.2292 119.2833 61.4770 37.5959 175.8834 54 R 4.7954 9.3525 124.9676 54.9778 34.6375 173.6627 55 Y 4.5791 7.5122 117.7738 55.6728 40.6931 174.3328 56 S 4.2869 7.9152 116.1646 58.0553 64.1518 174.9458 57 D 4.4698 9.0278 121.4777 57.4504 40.9375 177.8379 58 G 4.1284 8.0894 105.0573 44.6386 0.0000 175.0331 59 F 4.1042 8.3562 123.0351 61.2486 39.6562 176.1542 60 F 4.2589 8.5869 120.7681 61.2028 39.5066 176.0016 61 K 3.8070 8.2440 121.0047 59.5517 32.1707 178.7299 62 S 3.8294 7.9234 109.4708 59.0653 61.7832 175.0266 *64 L 3.8959 7.9771 122.4836 54.5197 43.7265 178.5981 65 A 3.8530 7.7138 120.2801 55.0738 18.1629 179.5442 66 K 3.7421 7.4659 116.8170 59.8217 31.9719 179.6036 67 L 4.1591 7.4905 116.8120 57.0722 41.6992 178.7679 68 K 4.1026 7.9496 119.3531 58.9207 32.2939 178.0734 69 E 4.3296 8.1643 117.2554 55.6450 29.6919 175.1356 70 G 3.8624 8.6153 111.1499 45.5233 0.0000 172.1674 71 C 4.6391 9.4881 120.1654 57.5299 33.6096 171.9727 72 T 4.8124 8.2365 115.3977 62.3100 70.6213 174.0501 73 I 4.2738 8.8930 129.0438 60.4615 38.3207 175.0693 74 I 4.4754 8.7263 129.9269 60.5306 38.2809 175.1685 75 C 5.6628 8.9106 124.7572 57.2900 30.5220 173.8657 76 D 4.8494 8.7962 120.0411 54.1601 39.9584 176.1081 77 S 4.6797 7.6008 112.7061 57.3381 65.5891 176.0484 78 E 4.3245 8.4880 121.4034 56.1860 28.7756 179.7214 *80 V 3.9788 7.9967 119.3505 63.0372 33.1504 176.8803 81 R 3.8747 7.8228 119.4564 59.4131 29.9266 178.3399 82 A 4.1661 8.2978 119.6685 54.6091 18.4980 178.7300 83 G 3.7123 7.7503 103.5634 47.4012 0.0000 173.9240 84 I 3.9720 7.2530 120.3842 60.5908 36.3949 174.9714 85 Y 4.6967 7.3765 121.8073 55.3263 39.5180 176.0454 86 S 4.1194 7.6960 115.7860 59.0264 63.0504 174.0239 87 R 3.9363 8.8780 128.5282 59.3277 29.0892 176.8072 88 P 4.2218 0.0000 0.0000 65.7823 31.1912 178.8447 89 V 3.5508 7.6732 116.1536 66.1864 31.4662 178.1015 90 L 4.2846 7.7777 118.4317 57.1348 41.4564 179.0384 91 E 4.1111 8.4001 118.3616 58.7366 29.4927 177.7948 92 R 4.5430 7.6576 117.1530 56.1771 32.5550 176.1162 93 N 5.3076 8.6151 115.8755 51.2533 42.3772 173.6219 94 R 4.7778 8.4399 121.7293 54.6520 32.5314 174.6936 95 V 4.7952 8.3817 125.9462 61.6162 33.4541 174.8105 96 V 4.6787 8.6456 119.9946 60.2282 36.7092 174.0947 97 C 4.8859 8.5723 118.4007 59.3208 33.2898 172.9787 98 Y 4.6481 8.6096 126.1977 58.0505 38.1355 177.2970 99 L 4.3192 8.1429 121.9580 56.6168 42.4490 176.3876 100 N 5.0238 7.6469 113.8381 53.3534 37.6006 174.2365 101 D 4.4548 8.3999 116.1283 54.4531 41.2441 177.0206 102 V 3.4193 7.8430 114.8130 62.6453 30.9110 172.5771 103 R 4.5240 7.7917 118.6605 57.0158 32.0479 178.4721 104 S 4.1855 8.2116 113.6905 61.4865 63.3803 175.6172 105 K 4.0507 8.1959 118.9570 60.0875 32.6099 178.8509 106 E 3.6827 7.6380 115.3007 56.9702 29.4677 177.8087 *108 A 4.3225 8.0761 121.6450 52.2158 20.6069 179.4641 109 D 4.2892 8.1799 115.4688 57.7106 41.1891 179.1263 110 V 3.6593 7.6358 117.0635 66.1711 31.4619 177.0578 111 N 4.4573 8.1226 114.1268 53.7856 38.7386 175.3064 112 G 3.8068 7.5792 105.0032 46.6563 0.0000 173.1790 113 I 4.4917 7.4644 112.1083 58.1706 40.5570 175.3951 114 T 4.2772 7.9664 111.0493 61.2788 70.9511 175.7242 115 R 3.9968 8.3919 120.2883 59.2572 30.0777 179.4677 116 S 4.1195 8.0723 114.5038 61.4690 62.8401 176.3865 117 A 3.9373 7.8259 122.9497 55.1742 18.2088 179.4224 118 A 4.0351 8.1500 119.4444 55.3649 18.4123 180.0488 119 G 3.6981 8.6846 104.4898 47.9494 0.0000 175.9984 120 I 3.6408 7.4933 121.1591 64.0978 37.2822 177.8509 121 R 4.0262 7.8246 118.2331 59.7577 30.1254 178.1507 122 I 4.0631 7.8241 118.8481 64.2519 37.1289 179.3828 123 A 2.5800 7.5097 119.1021 52.4693 17.9450 179.1519 *125 Q 4.3771 8.0271 121.3019 57.7022 30.7823 176.8216 126 D 4.3797 8.0811 116.7802 56.5644 41.0223 176.0173 127 H 4.6403 8.1291 115.2654 53.9612 30.9194 172.9769 128 R 3.7296 8.3722 125.5804 58.3413 30.5847 176.3520 129 N 4.6812 7.6202 118.0209 52.4012 37.6261 173.6444 130 S 5.2033 7.8916 116.9379 55.9740 67.4592 173.4722 131 V 4.4422 8.3987 118.9958 61.0962 34.6482 173.9394 132 I 4.8119 8.5210 128.0472 59.6272 39.5163 174.6889 133 V 4.7501 9.0083 127.3731 61.3602 34.1192 174.1147 134 I 4.6649 9.1590 130.5448 59.5827 39.2312 176.4093 135 G 3.8368 9.5168 113.0343 46.0518 0.0000 172.5518 136 N 5.1688 9.0101 118.2302 54.2310 43.9266 173.4960 137 A 4.5912 8.0210 120.6245 50.7701 19.7306 176.3764 138 P 4.2851 0.0000 0.0000 66.0199 31.3825 178.9662 139 T 4.0202 7.9254 107.8851 64.5312 68.6133 176.3656 140 A 3.9436 7.9422 123.9008 54.7956 18.1905 179.2848 141 L 3.8801 7.6971 117.2573 58.2989 42.3430 178.5709 142 L 4.0941 8.0323 117.9308 57.9254 41.6589 178.9046 143 E 4.0767 8.1594 117.7249 58.9800 29.5864 179.2833 144 A 4.1165 7.6441 117.0416 52.5334 18.4846 177.6092 *146 R 3.9471 7.7989 118.7315 57.8273 31.7801 177.2404 *148 I 3.7728 7.7646 117.9950 60.8423 38.7747 177.9914 149 E 4.0366 7.6921 116.6042 58.1458 29.6528 177.9662 150 E 4.0896 7.8440 117.9634 58.2252 29.7783 177.0789 151 N 4.4076 7.5137 112.7645 51.9244 39.2036 174.6133 152 G 4.0676 7.4371 106.3953 46.5904 0.0000 174.2396 153 W 4.9237 7.3201 115.2108 56.3418 28.8125 178.0591 154 Y 4.3700 8.0066 112.3622 59.3427 37.3305 177.8396 155 D 4.6070 8.0059 119.1531 53.9141 40.3043 176.2257 156 I 4.1515 7.7584 122.5141 59.7353 37.7904 173.5964 157 P 5.0339 0.0000 0.0000 62.1637 33.8610 174.8338 158 I 5.0092 8.8052 121.6391 59.8840 40.5666 175.1098 159 V 4.0309 9.3873 128.8148 61.9084 31.2224 173.8254 160 G 4.2129 8.7717 114.6836 43.5726 0.0000 171.3618 161 I 4.8339 8.5213 134.1438 60.0346 36.7684 173.3582 162 P 4.8963 0.0000 0.0000 62.9032 33.1173 176.7228 163 V 4.2660 9.5572 120.1170 59.9161 34.0736 176.4447 164 G 3.6964 6.1490 107.6794 44.3970 0.0000 172.4447 165 F 4.2589 7.8465 120.3057 57.4512 38.9346 177.7907 166 I 3.7474 9.4845 130.2839 64.9206 38.2484 175.0607 167 N 4.3055 8.2292 117.1024 55.9929 37.1052 176.7753 168 A 3.9302 7.9136 122.7966 54.8394 18.5924 179.5675 169 S 4.0559 8.0621 113.6594 61.6959 62.7987 176.9002 170 K 3.9351 8.1408 122.0625 59.4355 31.7732 178.7159 171 A 3.9765 7.9858 121.0565 55.1146 18.3302 179.7594 172 K 3.9116 8.1123 116.8315 59.1949 31.8838 179.5143 173 E 4.0760 8.1216 118.7373 59.1090 29.6161 179.1667 174 G 3.6633 7.8184 106.1162 47.3653 0.0000 175.4901 175 L 3.7522 7.3846 122.7354 58.0887 41.9718 179.4854 176 V 3.2228 7.1480 111.0439 62.3540 31.5027 177.2092 177 S 4.6328 7.4890 111.5521 58.1904 63.2353 173.6337 178 S 4.5741 7.7922 115.5129 58.5051 64.6216 173.1202 179 H 4.7878 8.7547 118.1171 56.4642 29.9228 175.1548 180 I 4.3578 7.6376 119.5804 61.6916 37.6609 175.4081 181 E 4.5802 8.8698 124.0411 56.8089 30.5834 175.3824 182 Y 4.9183 8.6366 120.9661 56.7248 42.2908 172.6303 183 I 4.5566 8.2056 118.5449 59.6217 41.8146 173.7079 184 S 4.9956 9.7881 122.7773 57.4783 66.8775 172.2595 185 V 4.8638 8.0998 120.7133 60.7185 33.2419 175.0101 186 E 3.9521 8.9744 128.6515 57.9385 29.8704 177.8720 187 G 3.8665 8.7655 107.8645 44.8905 0.0000 172.9988 188 H 4.6698 8.7426 114.1196 58.0072 29.5063 176.0426 189 R 4.2435 8.0059 117.7344 56.3326 31.0446 176.8564 190 G 4.1279 7.5705 108.5242 46.8398 0.0000 172.0721 191 G 4.2505 7.9080 108.3481 44.2357 0.0000 175.1896 192 S 4.1609 8.8170 117.2733 60.8289 62.8077 175.2715 193 P 4.2950 0.0000 0.0000 65.5757 31.1381 178.6812 194 I 3.6740 7.7114 117.7314 64.3936 37.0189 178.0264 195 A 4.0246 7.9810 121.3421 55.3619 18.2189 179.6026 196 A 4.0789 8.5277 119.8538 55.2032 18.3870 180.0304 197 S 4.1194 8.2088 112.9241 61.5376 62.7799 176.8515 198 I 3.8194 7.5823 122.7470 64.2422 37.2121 178.2570 199 V 3.9494 7.6116 117.7078 66.2172 31.5441 177.7962 200 N 4.3760 8.3850 116.3381 56.2651 38.2767 177.5473 201 G 3.7666 8.2043 107.2496 47.8401 0.0000 175.7245 202 F 4.6784 8.7073 119.7343 59.7619 38.8076 177.7043 203 G 4.2870 7.9736 107.2163 47.3031 0.0000 175.4854 204 R 3.7791 7.3874 117.9315 57.9300 29.8656 177.4487 205 F 4.8637 8.0922 115.8576 57.2046 39.5717 175.4229 206 L 4.3930 7.9779 125.1278 54.9226 41.8066 176.2698 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 14 E 8.44 4.35 0.00 2.08 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 0.00 2.21 2.36 0.00 15 E 7.24 4.43 0.00 2.12 1.82 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 2.26 2.48 0.00 16 R 9.33 4.18 0.00 1.90 1.98 0.00 3.36 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 17 S 8.02 4.22 0.00 3.96 4.04 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 18 L 7.65 4.05 0.00 1.86 1.83 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.05 3.98 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 20 A 8.16 3.86 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 21 I 8.43 3.79 2.12 0.00 0.00 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 1.95 1.16 1.03 0.00 0.00 22 D 8.32 4.53 0.00 2.70 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 23 S 7.63 4.32 0.00 4.03 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 *25 I 7.33 3.87 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 1.33 0.79 0.94 0.00 0.00 26 D 8.57 4.39 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.24 0.00 2.07 2.11 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 28 D 8.98 4.36 0.00 2.78 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 29 I 7.82 4.06 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.50 1.01 0.00 0.00 30 S 8.29 4.63 0.00 3.90 3.80 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 31 G 8.38 3.63 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 0.00 0.00 0.00 32 P 0.00 3.99 0.00 0.49 0.49 0.00 2.85 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.65 0.00 *34 R 7.98 4.22 0.00 1.95 1.94 0.00 3.35 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 35 H 8.16 4.18 0.00 3.38 3.67 0.00 5.65 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 36 I 7.67 3.69 1.73 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.41 0.96 0.00 0.00 37 V 7.67 3.61 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.00 0.00 0.00 38 V 7.87 3.66 2.19 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 0.99 0.00 0.00 1.06 0.00 0.00 39 K 8.15 4.03 0.00 2.02 1.85 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 40 A 7.91 4.30 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 3.72 1.97 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 1.50 1.27 1.14 0.00 0.00 42 H 8.16 4.14 0.00 3.30 3.51 0.00 5.76 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 43 A 8.14 4.14 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 44 A 7.96 4.20 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.54 3.80 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 0.00 0.00 0.00 46 D 7.46 4.23 0.00 2.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.49 4.66 0.00 3.19 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 48 A 8.49 4.08 1.48 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 49 I 7.60 3.97 1.91 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 1.46 0.60 0.94 0.00 0.00 50 A 8.22 4.03 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 51 P 0.00 4.54 0.00 2.07 2.12 0.00 3.86 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 2.05 2.12 0.00 52 L 7.98 4.40 0.00 1.83 1.85 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.23 4.43 1.95 0.00 0.00 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 1.29 0.70 1.07 0.00 0.00 54 R 9.35 4.80 0.00 1.83 1.79 0.00 3.42 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 55 Y 7.51 4.58 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.92 4.29 0.00 4.02 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 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0.00 0.00 0.00 0.00 0.00 1.11 0.61 0.86 0.00 0.00 75 C 8.91 5.66 0.00 2.97 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 76 D 8.80 4.85 0.00 2.69 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 77 S 7.60 4.68 0.00 3.99 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 78 E 8.49 4.32 0.00 2.03 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 2.41 2.25 0.00 *80 V 8.00 3.98 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 0.98 0.00 0.00 0.95 0.00 0.00 81 R 7.82 3.87 0.00 1.86 2.14 0.00 3.17 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 82 A 8.30 4.17 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 83 G 7.75 3.71 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 0.00 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0.00 3.19 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 93 N 8.62 5.31 0.00 2.66 2.72 0.00 0.00 6.34 7.33 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 94 R 8.44 4.78 0.00 1.93 1.74 0.00 3.12 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 95 V 8.38 4.80 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 0.92 0.00 0.00 0.93 0.00 0.00 96 V 8.65 4.68 2.36 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 0.73 0.00 0.00 1.02 0.00 0.00 97 C 8.57 4.89 0.00 2.98 2.94 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 98 Y 8.61 4.65 0.00 3.21 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 99 L 8.14 4.32 0.00 1.63 1.72 0.94 0.98 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 0.00 100 N 7.65 5.02 0.00 2.82 2.81 0.00 0.00 6.83 7.94 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 9.01 5.17 0.00 2.77 2.77 0.00 0.00 7.08 7.35 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 0.00 137 A 8.02 4.59 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 0.00 138 P 0.00 4.29 0.00 2.15 2.10 0.00 3.59 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 139 T 7.93 4.02 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 1.21 0.00 0.00 140 A 7.94 3.94 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 0.00 141 L 7.70 3.88 0.00 1.62 1.91 0.91 0.92 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 0.00 142 L 8.03 4.09 0.00 1.76 1.70 0.91 0.86 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 0.00 143 E 8.16 4.08 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 144 A 7.64 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 *146 R 7.80 3.95 0.00 1.93 2.03 0.00 3.17 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 *148 I 7.76 3.77 1.67 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 1.41 0.57 0.39 0.00 0.00 149 E 7.69 4.04 0.00 1.89 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 2.40 2.22 0.00 150 E 7.84 4.09 0.00 1.89 1.82 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 2.24 2.23 0.00 151 N 7.51 4.41 0.00 1.44 1.91 0.00 0.00 6.85 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 0.00 152 G 7.44 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 0.00 153 W 7.32 4.92 0.00 3.27 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 0.00 154 Y 8.01 4.37 0.00 3.09 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 0.00 155 D 8.01 4.61 0.00 2.77 2.81 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 0.00 156 I 7.76 4.15 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 1.01 0.00 0.00 157 P 0.00 5.03 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.79 0.00 158 I 8.81 5.01 2.01 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 1.17 1.35 1.00 0.00 0.00 159 V 9.39 4.03 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 0.84 0.00 0.00 1.18 0.00 0.00 160 G 8.77 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 0.00 0.00 0.00 161 I 8.52 4.83 1.97 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 1.32 0.99 0.94 0.00 0.00 162 P 0.00 4.90 0.00 2.08 2.16 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 163 V 9.56 4.27 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 0.69 0.00 0.00 0.79 0.00 0.00 164 G 6.15 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 7.85 4.26 0.00 2.95 2.36 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 0.00 166 I 9.48 3.75 1.94 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 1.74 1.65 0.96 0.00 0.00 167 N 8.23 4.31 0.00 3.03 3.08 0.00 0.00 6.08 7.89 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 0.00 168 A 7.91 3.93 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 0.00 169 S 8.06 4.06 0.00 4.08 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 0.00 170 K 8.14 3.94 0.00 1.99 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 171 A 7.99 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 8.11 3.91 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.57 7.81 173 E 8.12 4.08 0.00 2.07 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 0.00 2.32 2.60 0.00 174 G 7.82 3.66 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 0.00 175 L 7.38 3.75 0.00 1.49 1.33 0.83 0.73 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 0.00 176 V 7.15 3.22 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 0.94 0.00 0.00 0.95 0.00 0.00 177 S 7.49 4.63 0.00 3.89 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 0.00 178 S 7.79 4.57 0.00 4.26 4.04 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 0.00 179 H 8.75 4.79 0.00 3.07 3.47 0.00 5.74 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 7.64 4.36 2.03 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 1.36 0.84 1.05 0.00 0.00 181 E 8.87 4.58 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 2.51 2.33 0.00 182 Y 8.64 4.92 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 0.00 183 I 8.21 4.56 0.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.52 0.65 0.00 0.00 184 S 9.79 5.00 0.00 3.97 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 0.00 185 V 8.10 4.86 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 0.90 0.00 0.00 0.96 0.00 0.00 186 E 8.97 3.95 0.00 2.02 1.87 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 2.34 2.29 0.00 187 G 8.77 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 0.00 188 H 8.74 4.67 0.00 3.28 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.01 4.24 0.00 1.81 1.87 0.00 3.43 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 190 G 7.57 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 0.00 0.00 0.00 0.00 191 G 7.91 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 S 8.82 4.16 0.00 3.89 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 0.00 193 P 0.00 4.30 0.00 2.17 2.12 0.00 3.54 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 2.12 2.20 0.00 194 I 7.71 3.67 2.03 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 1.59 0.90 0.95 0.00 0.00 195 A 7.98 4.02 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 0.00 196 A 8.53 4.08 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 0.00 197 S 8.21 4.12 0.00 4.12 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 0.00 198 I 7.58 3.82 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 1.24 0.00 0.00 199 V 7.61 3.95 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 1.04 0.00 0.00 200 N 8.39 4.38 0.00 2.85 2.65 0.00 0.00 6.94 6.97 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 0.00 201 G 8.20 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 0.00 202 F 8.71 4.68 0.00 3.39 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 0.00 203 G 7.97 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 0.00 0.00 0.00 0.00 204 R 7.39 3.78 0.00 1.55 1.58 0.00 2.31 0.00 0.00 2.70 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 205 F 8.09 4.86 0.00 3.22 3.16 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 0.00 206 L 7.98 4.39 0.00 1.76 1.57 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.