NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7149 8.3549 109.7384 45.1397 0.0000 175.8833 *2 K 4.4466 9.0152 126.8990 56.4836 34.3515 175.1303 3 I 5.0456 9.5685 127.8126 59.5092 39.5002 174.6803 4 A 5.4598 9.3772 129.6977 50.3090 21.6502 175.0067 5 L 5.2059 9.3237 124.5588 53.4319 44.6824 175.1927 6 I 5.1650 8.8200 126.5178 59.6453 40.7268 174.3898 7 I 4.9211 8.8728 128.2308 59.4042 40.0224 175.8390 8 E 4.4377 8.7184 125.0807 54.7671 31.5740 176.8426 9 N 4.4025 8.7997 116.0477 55.7380 37.4391 177.6168 10 S 4.2451 8.6195 112.9806 60.4015 63.2746 174.8385 11 Q 4.5436 8.0521 118.3025 55.2410 29.9501 176.8662 12 A 3.9222 7.8732 123.8496 55.2082 18.4132 180.3537 13 A 4.1423 7.9562 117.0192 54.3007 18.8000 178.0161 14 K 4.3726 8.1184 114.8733 56.3387 32.9793 177.9733 15 N 4.1588 8.0951 118.6722 56.6645 38.8549 176.5507 16 A 4.1356 7.9210 121.7315 55.1337 18.6779 179.6525 17 V 3.6416 7.7294 116.4253 65.9555 31.7147 178.3975 18 V 3.7083 7.8049 118.1857 66.2378 31.3537 177.4914 19 H 4.2217 8.7456 118.4629 59.2918 29.6076 176.8621 20 E 3.9218 8.2822 120.7644 59.0648 29.1940 178.6376 21 A 4.1478 8.0322 120.7269 54.8908 18.4134 179.4569 22 L 3.6774 8.2639 119.2892 58.1753 42.1281 179.2092 23 T 3.7258 8.1657 110.1299 65.3070 68.5050 176.2518 24 T 3.8277 7.5043 117.8745 66.1529 68.9632 175.8199 25 V 3.9984 7.6480 118.6664 65.2105 32.0095 177.9222 26 A 4.0445 8.3996 120.9259 54.8943 18.2348 179.4494 27 E 4.1428 8.2091 118.5099 58.7343 29.4555 177.8841 28 P 4.1112 0.0000 0.0000 64.8530 31.4956 177.0226 29 L 4.2478 7.1239 114.4656 54.7822 41.8461 177.3930 30 G 3.8121 8.8532 107.9074 45.4978 0.0000 173.0262 31 H 4.9116 7.8589 116.7034 54.0441 31.7699 173.8418 32 K 4.4521 8.4187 118.4903 54.6480 34.8285 175.3455 33 V 4.8449 8.1590 124.9229 61.2846 33.2664 174.6004 34 F 4.6517 10.0960 128.4814 55.8744 41.0558 174.5440 35 N 5.0497 8.8075 124.0622 52.7131 38.8833 173.8308 36 Y 4.3494 9.0183 123.8573 57.5069 38.8978 177.0645 37 G 2.8498 8.0763 108.1783 44.9328 0.0000 174.1637 *39 Y 4.8761 8.1596 115.0192 57.9253 39.8354 175.5008 40 T 4.6353 8.1172 107.1355 60.0253 71.8903 174.2649 41 A 4.1814 8.5848 123.9843 54.0847 18.3715 177.9794 42 E 4.5983 7.8187 113.7528 55.5569 30.3251 176.0786 43 D 4.4947 8.0377 121.9371 55.3597 41.5619 177.8215 44 K 3.9828 8.8125 124.5434 57.6198 31.8890 176.6920 45 A 4.2763 7.8086 125.7239 51.3750 17.1917 175.8201 46 S 4.6905 8.2637 115.8839 57.9211 64.0591 173.0732 47 L 4.8605 8.4378 126.0437 53.3300 44.1835 175.6635 48 T 4.8944 8.1562 112.4149 59.7030 70.8945 174.1794 49 Y 4.2572 8.4061 119.2427 59.6991 38.4053 177.7106 50 V 3.6794 6.8441 119.3303 63.4744 31.4434 177.2455 *52 N 4.6688 8.3565 117.7672 52.7788 40.7027 177.1686 53 G 3.5760 7.8153 104.3921 47.4214 0.0000 175.6834 54 L 3.8876 7.7068 122.2387 57.8948 42.0876 178.8290 55 L 3.8245 7.8088 119.5849 58.0000 42.0451 178.4286 56 A 3.9822 8.1134 120.8980 55.2640 18.2898 179.9215 57 G 3.5107 7.9817 103.7145 47.5834 0.0000 176.2359 58 I 3.7275 7.4078 121.6688 64.2925 37.1875 178.4155 59 L 4.0692 8.0257 119.9538 57.8254 41.3219 179.7299 60 L 4.2146 7.8552 120.0582 57.5816 41.4521 179.4574 61 N 4.4249 8.1523 114.7962 55.5309 38.7500 176.8809 62 S 4.5297 8.2670 115.0675 58.3854 63.4074 175.8922 63 G 3.8355 7.5845 109.9398 45.5412 0.0000 174.3670 64 A 4.1347 7.7578 122.3262 53.2466 18.7821 178.2837 65 A 4.7081 7.9040 117.9314 50.6975 22.2421 176.2009 66 D 4.8310 9.1737 120.4412 55.7566 42.3218 176.9495 67 F 5.0774 8.0339 119.4385 56.6970 43.3292 172.9835 68 V 4.9333 8.3162 125.2931 61.1129 34.3835 174.0986 69 V 4.8654 9.5358 128.9311 62.0207 33.4043 173.9987 70 T 5.3913 9.2728 124.3653 61.8395 70.9671 172.3058 71 G 4.2146 8.8835 107.2749 45.0160 0.0000 171.8907 *73 G 4.0065 8.1262 107.1535 45.0253 0.0000 174.7204 74 T 4.1195 8.0049 107.4268 60.5220 71.1925 174.0794 75 G 3.4460 7.8090 108.9281 45.7905 0.0000 173.1365 *77 G 3.1440 7.7567 109.2051 45.5415 0.0000 175.3990 78 S 4.6789 7.5254 114.5043 58.5883 60.8823 176.2297 *80 L 4.1889 8.1412 121.9955 54.8837 43.6911 179.3320 81 A 4.2286 8.2831 120.0379 54.9381 18.0214 179.5298 82 A 3.9050 8.1260 118.7654 55.4281 18.6439 179.3180 83 N 4.3950 7.4093 111.5734 54.7302 38.7191 176.2701 84 A 4.1822 7.3756 122.3755 50.8988 19.8259 175.3110 *86 P 3.8777 0.0000 0.0000 65.2251 32.4467 177.2080 87 G 3.8842 8.6906 107.7466 45.8224 0.0000 173.0012 88 V 4.2994 6.6933 118.6370 60.7483 33.3350 175.4141 89 F 4.7736 9.2196 125.3085 55.7627 41.2103 172.1085 90 C 4.9005 9.1407 123.8269 57.5376 32.7033 173.3548 91 G 3.4944 8.5130 113.9267 45.0989 0.0000 172.1429 92 L 4.9236 8.1373 123.2187 53.4035 43.0227 175.5004 93 V 4.1935 7.9758 126.6128 61.6085 32.7515 174.5123 94 I 4.1658 8.8180 127.8591 62.6200 38.7690 175.7461 95 D 5.0069 8.2344 118.5641 50.5131 43.3622 174.9912 96 P 4.2886 0.0000 0.0000 65.8012 31.1013 179.2020 97 T 3.9568 7.9064 114.4690 66.4131 68.4802 176.2504 98 D 4.3817 8.9524 121.1355 57.3711 40.8292 178.8434 99 A 4.0278 8.0085 120.9710 55.1202 18.4644 179.2327 100 F 4.0662 8.3446 119.1611 61.7445 39.4910 177.4244 101 L 3.7937 8.4016 118.7377 57.4130 41.2547 179.4375 102 F 4.5758 7.8127 122.3038 60.8675 39.3960 177.5053 103 G 3.4564 8.3258 105.4597 47.6231 0.0000 175.3645 104 Q 4.1719 7.8223 119.7072 57.2819 28.7377 177.8039 105 I 3.9902 7.9286 119.7263 62.7503 38.1843 176.8928 106 N 4.5182 7.7845 115.5570 52.1702 39.8919 174.4678 107 D 4.3145 7.9912 118.9161 54.6425 40.2603 173.1944 108 G 3.9323 6.0959 106.0310 45.6729 0.0000 173.2104 109 N 5.0895 8.8605 113.2703 52.1150 38.6685 173.7964 110 A 4.4900 7.4814 119.5555 51.0821 22.8445 175.7417 111 I 4.9509 8.8539 112.7624 59.2630 41.4948 174.1199 112 S 5.5417 9.3697 117.7912 54.6979 66.4704 170.6910 *114 P 3.9824 0.0000 0.0000 62.9017 31.7356 175.7779 115 Y 4.0762 8.4305 119.6582 58.0289 38.8219 175.4608 116 S 4.5303 7.9769 113.3570 59.7402 65.4738 173.7908 117 K 4.1149 8.3338 121.7012 57.9014 31.9907 177.3790 118 G 3.9401 8.9805 114.2140 45.7020 0.0000 173.5679 119 F 4.5246 8.0182 122.7709 56.3685 39.1075 176.2523 120 G 4.2469 7.5207 120.7253 44.1885 0.0000 171.1611 121 W 4.3897 8.9085 135.0000 58.5773 31.2386 175.8050 122 A 3.4279 8.6351 126.3667 52.7864 15.7008 179.0739 123 A 3.7343 7.3047 121.0189 55.2082 17.9207 179.9720 124 E 4.1378 7.7395 115.1333 58.5407 29.9281 179.0119 125 L 3.9433 7.6351 120.9099 57.7132 41.6870 178.6005 126 N 4.2510 7.8835 116.5370 56.2808 38.8229 176.6465 127 L 3.6532 7.4960 120.1253 57.9374 41.7155 179.5374 128 Q 4.0771 7.6378 117.7587 59.1033 28.2820 178.5993 129 D 4.3160 7.9318 119.8976 57.3784 40.8321 179.1712 130 V 3.6025 7.9216 119.0139 66.1825 31.5123 177.7786 131 Y 4.2290 7.9031 116.8585 61.1741 37.2825 178.6753 132 R 4.1273 8.3767 119.1842 59.1919 29.8813 179.2759 133 K 3.8999 7.4330 116.4280 59.2031 32.1269 179.1260 134 L 3.9630 7.3931 118.5273 56.7940 41.6047 177.9250 135 F 4.9246 7.7860 114.4139 56.9569 39.3871 174.7617 136 D 4.8188 7.9522 120.7781 53.4262 43.1225 176.4798 137 G 4.0768 8.8871 111.0127 45.0466 0.0000 172.5400 138 E 4.1625 8.2612 117.8800 56.2105 30.0569 177.1277 139 R 4.3296 8.1742 120.5212 55.1678 32.5814 176.0394 140 G 3.8881 8.2865 105.5902 47.0615 0.0000 174.2034 141 L 4.2775 8.0928 117.9965 53.5302 42.4245 177.1160 142 G 4.1066 8.9707 108.2047 45.7675 0.0000 173.0762 143 Y 4.4387 7.9237 118.3468 55.6155 41.8020 172.4532 144 P 3.2909 0.0000 0.0000 62.1637 32.0377 177.4090 145 R 3.9826 8.3725 120.0063 58.0629 30.1359 177.5721 146 E 4.2805 7.7852 114.8850 57.2014 30.1354 177.0721 147 R 4.4675 8.4647 118.2778 55.7648 30.5725 176.8157 148 A 3.8409 6.8960 120.0824 55.7787 19.0255 179.2256 149 E 4.0444 8.2603 112.6073 59.3937 30.1939 180.2540 150 I 3.4671 7.2707 115.0017 62.5591 36.4520 177.5229 *152 R 4.1100 8.1143 125.6662 56.9079 31.9195 178.5136 153 K 3.8697 8.0326 122.6661 59.8764 31.6438 182.1561 154 N 4.5519 8.3283 118.2851 56.1916 38.4249 177.8016 155 R 3.8946 7.9779 119.0971 58.8311 30.2060 179.1464 156 G 3.5635 7.4868 105.5617 47.6192 0.0000 176.0043 157 I 3.7326 7.7201 122.2946 64.0295 37.1216 178.3414 158 L 4.0079 8.1589 121.4531 58.2337 41.9942 179.2580 159 R 4.1285 8.0528 117.9818 59.1626 29.9630 178.8750 160 E 4.2291 8.0931 118.4817 58.9545 29.5282 178.9268 161 L 3.9487 8.0529 120.5477 58.1243 42.1622 179.0158 162 K 4.5589 8.1938 120.5603 58.7294 31.8710 178.5657 163 D 4.3487 7.7601 118.2363 57.1142 40.7531 178.1236 164 A 4.1614 7.7113 120.9130 54.9660 18.7721 179.4400 165 S 4.2349 8.0869 112.7128 59.7909 63.5816 174.0374 166 C 4.9181 7.5915 118.9953 57.4102 29.9065 173.9947 167 R 4.2851 8.2692 122.6119 55.6287 31.6224 178.9980 168 D 4.7242 8.1065 117.6416 52.9192 38.8497 178.9953 *170 L 4.1365 8.5964 116.3173 55.0879 43.5910 178.6647 171 T 3.8211 7.8387 115.0667 66.3676 68.2507 176.8618 172 V 3.5486 7.7561 120.2686 66.0143 31.3685 178.1879 173 L 4.0104 7.6003 116.8971 57.2121 41.5373 178.7739 174 K 4.2721 7.6280 118.1726 56.7801 32.3224 177.4624 175 T 4.4425 7.1306 107.3167 61.3615 70.3341 175.2895 176 V 3.7809 7.5009 121.6980 60.7245 32.3263 175.9539 177 D 4.3195 8.5972 119.8308 55.3915 42.1152 177.2818 178 Q 4.2402 8.6939 124.9398 57.8012 29.1177 177.6166 179 D 4.4305 8.0968 120.0450 56.4755 41.2772 178.1988 180 L 3.8915 8.3443 121.4028 57.9651 41.8788 178.7927 181 L 3.8989 7.4533 118.7400 58.2211 42.2046 178.8477 182 R 3.9416 7.8172 117.6031 59.1693 30.0330 178.9510 183 A 3.9596 8.0843 120.2986 54.8138 18.0939 179.5145 184 A 4.0162 7.6114 118.5945 53.9735 18.3777 178.2658 185 I 3.6716 6.7641 108.3187 60.3223 37.6860 176.5039 186 A 4.0750 7.5590 123.8601 53.8627 18.7201 179.0685 187 G 3.9490 8.1967 107.9343 46.4302 0.0000 175.1590 188 E 4.1333 9.1032 118.7135 57.9689 29.9641 176.5468 189 K 4.6075 8.0935 114.0438 56.3324 33.5057 177.3081 190 F 4.1198 8.5281 122.3268 61.5434 39.1767 176.5875 191 A 4.3515 8.4894 119.4545 55.6328 18.0204 178.8309 192 E 3.9398 8.3490 115.4955 59.5287 29.6809 178.3469 193 L 4.2985 7.7510 117.4789 56.5799 42.2078 178.5664 194 F 4.1450 8.3866 120.7999 60.9349 39.3386 176.9468 195 Y 4.0743 7.4739 116.1925 60.7353 37.6407 177.1920 196 P 4.4533 0.0000 0.0000 64.2944 31.6465 176.5271 197 N 4.7558 7.8612 114.6530 52.7271 40.2790 174.0061 198 C 3.8863 7.2260 119.6696 59.1307 31.7540 173.2135 199 K 4.2347 8.8128 125.8377 56.4120 32.7231 176.5169 200 D 4.7698 7.5036 119.0394 52.3133 42.1146 175.4965 201 D 4.4509 8.5649 127.7334 57.1767 41.0403 178.4021 202 A 4.2436 8.1149 120.8782 54.8742 18.3239 179.5555 203 I 3.9232 8.7718 118.8019 64.3247 37.3773 178.2805 204 A 4.5145 8.2534 121.6787 55.4086 18.1473 179.5252 205 N 4.3563 8.9088 115.3505 56.6634 38.5435 177.0806 206 Y 4.0030 8.0537 120.4751 60.7535 38.8229 178.0801 207 L 4.0730 8.5594 120.1760 57.8204 41.4940 179.6598 208 R 4.1155 8.0790 117.6696 58.7823 30.1371 178.6946 209 S 4.1946 7.9618 113.1800 60.3386 62.9573 174.8122 210 L 4.1567 7.1999 127.1049 54.9841 41.6171 176.2501 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 0 G 8.35 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 0.00 0.00 *2 K 9.02 4.45 0.00 1.88 1.95 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.68 1.70 7.81 3 I 9.57 5.05 1.71 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.75 0.85 0.00 0.00 4 A 9.38 5.46 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 5 L 9.32 5.21 0.00 1.82 1.62 1.03 0.97 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 6 I 8.82 5.16 1.89 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 1.22 1.02 0.95 0.00 0.00 7 I 8.87 4.92 1.78 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 1.22 0.74 0.83 0.00 0.00 8 E 8.72 4.44 0.00 2.42 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 2.47 2.59 0.00 9 N 8.80 4.40 0.00 2.99 3.20 0.00 0.00 7.18 6.79 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 10 S 8.62 4.25 0.00 4.03 4.09 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 0.00 0.00 0.00 0.00 11 Q 8.05 4.54 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 12 A 7.87 3.92 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 13 A 7.96 4.14 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 14 K 8.12 4.37 0.00 1.69 1.61 0.00 1.38 0.00 0.00 1.23 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.29 7.81 15 N 8.10 4.16 0.00 2.70 2.87 0.00 0.00 7.03 7.99 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 16 A 7.92 4.14 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 17 V 7.73 3.64 2.27 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 1.19 0.00 0.00 1.01 0.00 0.00 18 V 7.80 3.71 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 1.02 0.00 0.00 0.56 0.00 0.00 19 H 8.75 4.22 0.00 3.31 3.48 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.28 3.92 0.00 2.29 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 2.33 2.33 0.00 21 A 8.03 4.15 1.64 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.26 3.68 0.00 1.73 1.74 0.17 0.51 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 23 T 8.17 3.73 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 24 T 7.50 3.83 4.51 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 1.27 0.00 0.00 25 V 7.65 4.00 2.31 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 1.22 0.00 0.00 1.15 0.00 0.00 26 A 8.40 4.04 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.21 4.14 0.00 2.10 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 2.39 2.13 0.00 28 P 0.00 4.11 0.00 2.05 2.12 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 29 L 7.12 4.25 0.00 1.95 1.73 1.13 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.85 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 0.00 0.00 0.00 31 H 7.86 4.91 0.00 3.04 3.07 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.42 4.45 0.00 1.74 1.34 0.00 1.45 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.24 7.81 33 V 8.16 4.84 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 0.88 0.00 0.00 0.80 0.00 0.00 34 F 10.10 4.65 0.00 3.06 2.83 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 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0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.01 7.81 45 A 7.81 4.28 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.26 4.69 0.00 3.89 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 47 L 8.44 4.86 0.00 1.60 1.62 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.16 4.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 49 Y 8.41 4.26 0.00 3.19 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 50 V 6.84 3.68 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 0.85 0.00 0.00 0.32 0.00 0.00 *52 N 8.36 4.67 0.00 3.13 2.91 0.00 0.00 6.91 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.82 3.58 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 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0.00 0.00 0.00 0.00 0.00 117 K 8.33 4.11 0.00 1.69 1.74 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.41 7.81 118 G 8.98 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 0.00 119 F 8.02 4.52 0.00 3.08 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 0.00 120 G 7.52 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 0.00 121 W 8.91 4.39 0.00 3.18 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 0.00 122 A 8.64 3.43 0.72 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 0.00 123 A 7.30 3.73 0.08 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 0.00 0.00 124 E 7.74 4.14 0.00 2.23 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 0.00 2.32 2.34 0.00 125 L 7.64 3.94 0.00 1.67 1.63 0.70 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 126 N 7.88 4.25 0.00 2.72 2.86 0.00 0.00 7.19 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 0.00 127 L 7.50 3.65 0.00 1.85 1.37 1.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.64 4.08 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 129 D 7.93 4.32 0.00 2.79 2.66 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 0.00 130 V 7.92 3.60 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 0.99 0.00 0.00 0.86 0.00 0.00 131 Y 7.90 4.23 0.00 3.26 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 0.00 132 R 8.38 4.13 0.00 2.01 2.02 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 133 K 7.43 3.90 0.00 1.93 1.97 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.92 7.81 134 L 7.39 3.96 0.00 0.51 0.42 0.89 1.04 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 0.00 135 F 7.79 4.92 0.00 3.01 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 0.00 136 D 7.95 4.82 0.00 2.62 2.70 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 0.00 137 G 8.89 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 0.00 0.00 0.00 138 E 8.26 4.16 0.00 1.99 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 2.33 2.35 0.00 139 R 8.17 4.33 0.00 1.85 2.05 0.00 3.48 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 140 G 8.29 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 0.00 141 L 8.09 4.28 0.00 1.83 1.71 0.94 0.71 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 0.00 142 G 8.97 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.92 4.44 0.00 3.01 2.78 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 0.00 144 P 0.00 3.29 0.00 2.01 1.65 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 145 R 8.37 3.98 0.00 1.93 1.99 0.00 3.23 0.00 0.00 3.39 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.21 0.00 146 E 7.79 4.28 0.00 2.03 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 2.17 2.27 0.00 147 R 8.46 4.47 0.00 1.78 1.90 0.00 3.15 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 148 A 6.90 3.84 1.25 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 0.00 149 E 8.26 4.04 0.00 1.99 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 2.39 2.29 0.00 150 I 7.27 3.47 2.09 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 1.17 0.58 0.90 0.00 0.00 *152 R 8.11 4.11 0.00 1.83 2.21 0.00 3.29 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 153 K 8.03 3.87 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 154 N 8.33 4.55 0.00 2.76 2.87 0.00 0.00 7.09 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 0.00 155 R 7.98 3.89 0.00 1.74 1.79 0.00 3.05 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 156 G 7.49 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.72 3.73 2.00 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 1.56 1.15 0.91 0.00 0.00 158 L 8.16 4.01 0.00 1.78 1.79 1.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.05 4.13 0.00 2.00 1.99 0.00 3.13 0.00 0.00 2.96 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 160 E 8.09 4.23 0.00 2.22 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 2.33 2.56 0.00 161 L 8.05 3.95 0.00 1.87 1.89 0.94 0.12 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 0.00 162 K 8.19 4.56 0.00 2.04 1.95 0.00 1.59 0.00 0.00 1.36 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.32 7.81 163 D 7.76 4.35 0.00 2.92 2.73 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 0.00 164 A 7.71 4.16 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 0.00 165 S 8.09 4.23 0.00 4.09 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 0.00 166 C 7.59 4.92 0.00 3.00 2.83 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 0.00 167 R 8.27 4.29 0.00 1.77 1.83 0.00 3.20 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 8.11 4.72 0.00 2.80 2.34 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 0.00 *170 L 8.60 4.14 0.00 1.73 1.86 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.84 3.82 4.38 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 1.17 0.00 0.00 172 V 7.76 3.55 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 0.98 0.00 0.00 0.99 0.00 0.00 173 L 7.60 4.01 0.00 1.51 1.58 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 174 K 7.63 4.27 0.00 1.71 1.77 0.00 1.46 0.00 0.00 1.52 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.95 0.76 7.81 175 T 7.13 4.44 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 1.19 0.00 0.00 176 V 7.50 3.78 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 0.70 0.00 0.00 0.90 0.00 0.00 177 D 8.60 4.32 0.00 2.70 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 0.00 178 Q 8.69 4.24 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 179 D 8.10 4.43 0.00 2.83 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 0.00 180 L 8.34 3.89 0.00 1.80 1.85 0.84 0.72 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 0.00 181 L 7.45 3.90 0.00 1.63 1.81 0.85 1.45 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 0.00 182 R 7.82 3.94 0.00 2.01 1.90 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 183 A 8.08 3.96 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 0.00 184 A 7.61 4.02 1.26 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 0.00 0.00 185 I 6.76 3.67 0.56 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.43 0.22 0.00 0.00 186 A 7.56 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.20 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 0.00 188 E 9.10 4.13 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 2.23 1.92 0.00 189 K 8.09 4.61 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.18 7.81 190 F 8.53 4.12 0.00 3.35 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 0.00 191 A 8.49 4.35 1.66 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 0.00 192 E 8.35 3.94 0.00 2.03 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 0.00 2.31 2.44 0.00 193 L 7.75 4.30 0.00 1.18 1.36 0.37 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.39 4.15 0.00 2.12 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 0.00 0.00 0.00 195 Y 7.47 4.07 0.00 3.31 3.01 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 0.00 196 P 0.00 4.45 0.00 2.05 2.13 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 197 N 7.86 4.76 0.00 2.52 2.56 0.00 0.00 6.50 7.79 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 0.00 198 C 7.23 3.89 0.00 1.45 2.41 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 0.00 199 K 8.81 4.23 0.00 1.80 1.79 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.39 7.81 200 D 7.50 4.77 0.00 2.69 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 0.00 201 D 8.56 4.45 0.00 2.76 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 0.00 202 A 8.11 4.24 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 0.00 203 I 8.77 3.92 2.16 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 1.52 0.79 1.14 0.00 0.00 204 A 8.25 4.51 1.60 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 0.00 205 N 8.91 4.36 0.00 2.84 2.95 0.00 0.00 6.65 7.44 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 0.00 206 Y 8.05 4.00 0.00 3.25 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 0.00 207 L 8.56 4.07 0.00 2.05 1.85 0.82 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 208 R 8.08 4.12 0.00 1.95 1.95 0.00 3.00 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 209 S 7.96 4.19 0.00 3.90 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 0.00 210 L 7.20 4.16 0.00 1.72 1.52 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.