NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.1723 8.4401 121.4665 55.8808 31.7817 175.1604 4 A 4.0313 7.6830 121.5212 50.4748 19.7095 174.6427 5 N 4.7286 9.3977 122.9487 52.4594 41.2120 173.5871 6 S 4.6830 8.6222 119.7816 58.2037 64.8115 174.2863 7 G 4.2305 7.5433 113.2931 44.2700 0.0000 171.9409 8 P 4.4674 0.0000 0.0000 62.5229 31.9931 176.4335 9 G 3.9053 9.6182 109.8962 46.3869 0.0000 172.5005 10 R 4.6907 7.6737 114.2625 55.4904 33.4447 173.3592 11 V 4.9001 8.7527 118.8176 61.3037 34.4288 175.2874 12 T 4.3984 9.0476 118.0605 61.5400 70.5684 173.7052 13 R 5.0485 8.2776 120.7971 54.5862 34.0291 174.4010 14 E 4.5147 8.6252 123.4667 54.7754 33.6171 173.3421 15 Q 4.6676 8.5983 128.2705 55.1551 30.4823 175.2115 16 R 4.4099 9.1529 126.9789 54.8545 31.7694 176.1721 17 G 3.6726 8.0357 117.2995 47.2043 0.0000 172.5069 18 H 5.1824 8.6448 121.7481 55.3422 29.0621 173.8897 19 L 5.0874 7.9057 121.1001 53.3319 43.9989 175.4555 20 F 5.0676 9.2455 125.8243 56.6055 41.5559 173.8011 21 L 5.0641 8.8596 128.2840 53.4355 43.5620 175.8790 22 I 4.8358 9.1747 125.1502 59.4192 40.4459 174.6372 23 G 3.1575 8.4582 114.7181 43.3087 0.0000 172.0778 24 L 4.0451 8.2894 126.3555 55.0802 42.5900 176.6563 25 D 4.8404 8.3298 124.5246 51.0627 40.7452 176.7764 26 R 4.7776 7.3121 121.6496 53.7338 30.9071 176.3022 27 A 3.9435 8.4797 122.3709 55.1310 18.6236 180.7571 28 G 4.0841 7.8205 103.3226 47.3112 0.0000 174.2297 29 K 4.4688 8.2053 119.4949 55.9992 32.8274 176.6658 30 R 3.7010 8.7602 115.4332 57.1454 28.0402 176.4954 31 N 3.6849 8.3444 110.8202 53.7141 36.1631 174.3552 32 A 4.2889 7.6617 119.1312 52.5562 19.2760 178.2891 33 F 4.4843 9.5611 122.2779 56.7242 40.2176 175.7905 34 D 5.1246 8.5854 124.5953 51.9223 41.6480 177.5473 35 S 4.0850 9.7230 112.9925 61.5016 63.1646 176.7758 36 A 3.9001 8.0333 119.6196 53.1662 17.9590 178.5583 *38 L 4.5579 8.0403 120.2594 56.2173 43.7801 179.3498 39 A 4.3225 8.3195 120.2813 55.2297 18.1975 179.2549 40 D 4.3186 8.3035 116.6794 57.2695 41.1166 178.0365 41 L 3.9977 8.1160 119.0777 58.3623 42.4477 178.3196 42 A 4.6705 8.2089 121.8687 54.7157 18.2976 179.6404 43 L 4.0623 8.5094 117.6139 57.6795 41.6779 180.1214 44 A 4.3685 8.3506 118.2160 52.8994 18.3200 179.3293 *46 G 3.9015 7.9914 110.9468 47.1342 0.0000 175.8021 47 E 3.8869 8.2790 120.0471 58.9048 30.2264 177.1801 48 Y 3.5048 7.8000 119.9421 60.4718 38.8644 177.8527 49 E 3.5391 8.1155 117.1328 59.2234 29.4883 178.2322 50 R 4.1453 7.3093 114.0053 56.3431 30.7087 177.0872 51 S 4.3743 7.6618 114.3819 56.8953 60.9911 174.0974 52 E 3.7966 8.2709 126.6995 58.8759 29.6685 178.4879 53 E 4.5669 8.1546 115.0661 56.0296 30.3204 175.2145 54 S 5.0755 8.0878 116.7287 58.0580 63.7134 174.1346 55 R 4.6870 9.1513 123.3546 56.6523 32.0828 175.7874 56 C 5.5042 8.4449 117.4775 58.7483 35.2409 172.0971 57 A 4.9018 8.3856 126.6281 50.0723 21.3854 175.7700 58 V 4.6442 8.8882 121.9560 61.0812 34.0989 174.0870 59 L 5.1529 8.9322 131.7499 54.0609 43.6026 175.4205 60 F 5.6980 9.2400 120.6071 55.5542 42.2865 172.6802 61 A 4.6791 8.6267 119.3435 50.1584 21.0943 176.0716 62 H 4.2550 8.7218 120.2768 57.0030 29.5829 176.7422 63 G 3.7993 8.8768 106.5134 44.7126 0.0000 172.9647 64 E 4.4352 8.6475 117.2883 56.3116 30.6072 174.9478 65 H 5.1199 7.6520 115.9443 53.5667 31.5598 172.4333 66 F 4.2770 8.6713 128.6750 60.5460 39.0229 174.6556 67 T 4.5543 8.2671 110.5636 61.0000 71.0264 172.9650 68 A 4.2632 8.6799 129.3953 52.5080 19.2725 178.1198 69 G 3.9912 8.4130 103.0014 44.1499 0.0000 173.3314 70 L 4.4275 8.1844 119.0645 54.8578 42.4890 177.1468 71 D 4.6725 8.6669 122.8421 52.7606 39.7249 178.4374 72 L 4.2366 7.9277 127.8983 54.0927 41.2291 179.0813 *74 E 4.2701 8.2624 121.1410 55.8750 31.3687 176.3248 75 L 4.3057 7.9168 116.9754 56.6197 42.8262 177.7329 76 A 4.1512 8.6160 121.9041 55.0108 18.2721 179.1833 77 P 4.7233 0.0000 0.0000 62.6731 30.4374 177.2470 78 K 4.6108 8.7418 114.5515 55.7228 34.8251 176.6280 79 L 4.2120 7.6301 119.6226 54.7277 42.1087 175.0176 *82 S 3.9315 8.6369 118.5992 58.9278 63.2597 174.2892 83 G 4.0468 8.7585 110.2719 45.4295 0.0000 171.4104 84 F 4.4758 8.4332 121.5190 56.0722 40.6132 175.0485 85 R 4.1992 7.4150 127.0946 54.8751 31.3669 175.8848 86 Y 4.4269 7.9649 119.2936 55.9887 39.6862 173.7785 87 P 4.5054 0.0000 0.0000 62.0746 32.1983 176.0323 88 D 4.5265 8.6509 120.2812 56.1633 40.8273 176.6671 89 G 4.0044 8.8194 109.5258 46.3907 0.0000 173.2761 90 G 4.0231 8.0494 107.3374 43.7148 0.0000 174.0172 91 V 4.1903 8.0675 119.8218 60.1392 33.8584 174.5199 92 D 3.7248 8.3023 126.1587 53.5641 41.2304 174.6621 93 P 4.0547 0.0000 0.0000 65.5862 30.3503 177.7307 94 W 4.0636 9.0861 116.1162 56.8295 28.9592 176.5900 95 G 3.9788 7.7172 105.9474 45.3381 0.0000 174.8038 96 V 4.0775 7.6208 117.2915 62.9881 32.7899 175.9708 97 V 4.3616 7.8120 118.9938 60.6743 32.7640 175.4877 98 Q 4.1441 8.5276 126.1209 55.3599 29.2717 174.2740 99 P 4.5700 0.0000 0.0000 61.8744 32.7572 175.7572 100 R 4.1121 8.0478 119.9672 55.0853 30.8918 176.2793 101 R 4.2447 8.1750 119.8954 56.7682 29.7877 176.4874 102 S 4.7838 9.2930 109.6279 57.7488 64.6077 173.4716 103 K 4.7481 7.9075 119.0540 53.8751 35.7665 173.7065 104 P 4.8986 0.0000 0.0000 62.6071 32.9430 175.3718 105 L 5.1570 9.3528 124.2402 53.3330 45.4947 175.2122 106 V 4.9614 8.7998 125.8257 60.9857 34.7165 174.4692 107 V 5.0088 9.1978 125.9893 59.8320 34.6413 173.9547 108 A 5.1962 8.7815 125.5451 50.3182 20.9455 176.2639 109 V 4.3698 8.7876 115.9089 59.4711 35.8200 174.8578 110 Q 4.5376 7.6804 119.9729 56.8875 32.2799 176.4735 111 G 3.7343 9.1012 111.5079 46.3151 0.0000 174.2391 112 T 3.9545 8.4044 114.1128 61.1568 72.3334 174.5968 113 C 5.3099 6.9511 124.9475 57.8308 31.7428 172.5515 114 W 5.0845 9.0864 122.6582 59.0706 30.4397 179.0234 115 T 3.3360 9.7827 118.6060 64.9768 68.4736 173.7613 116 A 4.1844 8.8505 132.3861 54.8314 19.1587 179.9546 117 G 3.9427 8.7127 104.6604 47.6995 0.0000 175.6118 118 I 3.9803 8.1429 120.9165 64.7303 37.2734 177.5905 119 E 4.2714 7.8621 118.1080 58.9463 29.6109 178.6000 120 L 3.6312 7.7986 118.4708 55.2734 41.9383 178.0264 *122 L 4.2264 7.8379 116.0438 53.7692 43.5355 176.8936 123 N 4.5353 7.9452 116.9014 53.6416 39.1403 174.2764 124 A 4.6186 7.5156 119.6948 51.9035 20.8871 176.2959 125 D 4.7262 8.8389 118.7247 55.6109 42.2162 177.8743 126 I 4.5457 7.5090 118.2227 59.2927 41.7318 174.0947 127 A 4.9280 9.1945 128.1172 50.0893 21.9959 174.7516 128 V 4.8353 8.9152 122.9993 61.0622 34.3822 174.3011 129 A 5.3470 8.5295 128.3031 49.6724 22.6183 175.0896 130 A 4.4328 8.5868 123.1503 51.4367 19.6653 177.4300 131 R 3.9314 8.9093 122.8821 58.4119 30.4211 176.9544 132 G 3.9660 8.9228 112.5070 45.3297 0.0000 173.5392 133 T 4.0229 7.7132 117.0426 63.5415 69.8339 173.5337 134 R 4.8532 8.5287 123.6415 54.3601 33.4780 174.9106 135 F 5.2064 9.0273 120.5756 54.7670 43.0127 173.8432 136 A 4.8464 8.9868 121.1827 51.3680 22.4653 175.6457 137 H 4.6903 8.7978 119.1244 54.6688 26.5807 176.2126 138 L 4.0832 7.9034 119.9393 56.2057 42.6642 179.0941 139 E 3.9300 8.4080 119.7860 59.4402 29.1609 178.7247 140 V 3.6064 7.8202 110.6503 64.7067 31.7482 178.0298 141 L 4.0901 7.4010 116.3951 57.6293 41.4559 177.0700 142 R 4.3117 8.1513 115.4904 55.8932 32.5181 178.5415 143 G 4.0977 7.4557 110.8823 44.9428 0.0000 172.1440 144 I 3.7680 8.2067 120.0686 60.7970 37.5895 173.9387 145 P 4.6212 0.0000 0.0000 61.0687 32.1579 175.2396 146 P 4.1512 0.0000 0.0000 64.2278 31.6400 175.9420 147 L 3.9816 7.6055 117.5372 55.3439 45.2836 174.2138 148 G 3.5670 8.4552 110.7958 45.8525 0.0000 173.9735 149 G 3.8604 7.1950 106.8352 44.9529 0.0000 173.8591 150 S 4.3604 8.5354 114.1812 58.5280 62.8237 173.0644 151 T 4.8144 8.1147 114.7433 59.2780 71.7893 174.2933 152 V 3.9053 8.2563 118.7429 65.1554 31.4598 177.8703 153 R 3.9736 8.0477 117.8625 59.2982 29.9005 178.1193 154 F 4.1496 8.3405 119.8858 61.2421 39.3177 175.3584 155 P 4.3918 0.0000 0.0000 65.4071 30.9317 178.7470 156 R 3.9809 8.2346 116.3623 59.3332 30.1120 178.6999 157 A 4.0979 8.3832 119.0189 55.1597 18.6476 179.1538 158 A 4.2366 8.8246 117.3468 51.8843 19.6703 178.5117 159 G 4.0835 8.1316 104.1368 45.2429 0.0000 173.8865 160 W 4.0643 8.7925 130.8305 60.8937 30.9343 177.2246 161 T 3.9973 8.2427 111.4709 65.3373 66.6131 175.1000 162 D 4.3762 8.1468 120.2672 57.2448 41.1026 177.6673 163 A 3.5668 7.5083 121.1906 52.2359 17.9275 179.1204 *165 R 3.9520 8.0090 121.4520 57.3713 32.0219 176.1110 166 Y 4.5053 6.9195 115.0624 59.4064 38.5869 178.0663 167 I 3.6244 7.6361 120.9937 64.3277 37.0821 178.0550 168 L 4.0021 7.6369 116.2705 56.0725 41.7599 177.9595 169 T 4.4518 7.3840 108.7036 60.7912 70.5160 175.3719 170 G 4.1838 8.3586 108.0674 44.5401 0.0000 173.2848 171 D 4.5929 7.6652 118.8778 54.4748 41.4427 175.6015 172 E 4.9305 8.7148 123.0810 55.8507 30.7942 175.2523 173 F 5.3436 9.0498 120.4247 55.4192 42.3031 173.1599 174 D 5.7782 8.8900 118.5034 50.8299 42.3550 176.5540 175 A 4.2643 8.8871 119.0221 55.9283 18.0929 179.4621 176 D 4.3767 8.2474 116.7744 57.2800 40.7803 178.4289 177 E 3.9814 8.2453 119.0357 59.0601 29.9235 178.2553 178 A 3.9658 8.3919 121.1204 55.0214 18.1463 179.3521 179 L 3.8911 7.8196 117.8814 57.9960 42.2266 180.1531 180 R 4.0884 7.5840 116.6620 56.3399 30.1085 176.6586 *182 R 4.1773 7.8870 113.2708 55.5789 31.4893 176.7086 183 L 4.1687 7.9349 119.4921 55.4303 42.2604 176.9979 184 L 4.7547 7.3946 116.7379 53.0596 44.7700 176.1120 185 T 4.2263 8.8933 118.0884 65.8168 69.5710 175.2157 186 E 4.7298 7.7909 119.7369 54.8855 33.3295 173.8349 187 V 4.9093 8.3890 125.1906 61.3814 33.6337 174.9175 188 V 4.6759 8.6774 119.7820 59.0311 36.6138 174.7049 189 E 4.3203 8.6756 120.9865 55.8989 30.4829 175.3569 190 P 4.4277 0.0000 0.0000 64.3343 31.8433 176.9816 191 G 3.9648 8.9126 111.0079 45.5463 0.0000 174.2885 192 E 4.5411 8.0353 118.1444 56.1008 30.1220 177.4815 193 E 3.9992 7.9023 119.1800 59.2350 29.7294 178.6590 194 L 3.8894 7.8164 120.5924 57.6194 42.2969 178.3791 195 A 3.9187 7.8887 120.3508 55.0361 18.3661 179.5299 196 R 3.7666 8.0159 116.8739 59.4770 30.2660 178.2523 197 A 4.1366 8.2381 120.8969 55.3892 18.3159 179.4680 198 L 3.9022 8.2150 117.4826 58.1340 41.7669 179.4903 199 E 3.9146 8.0520 118.2566 59.8594 29.4956 179.1686 200 Y 4.0364 7.9486 116.0866 60.9819 37.8212 178.6335 201 A 4.0914 8.1299 121.7799 55.1235 18.3227 179.3937 202 E 3.9122 8.5568 116.5400 59.6637 29.6897 179.3084 203 R 4.0355 8.0607 118.6175 59.5390 30.0243 178.7215 204 I 3.7930 7.8770 119.2434 64.1246 36.9252 177.9839 205 A 4.1965 8.1745 120.3428 54.1979 18.2823 179.0183 206 R 4.1694 7.5266 115.4259 56.7261 30.6457 176.8804 207 A 4.1160 6.9921 120.8691 51.4324 19.2142 177.4484 208 A 4.1244 8.3634 121.8439 51.4041 19.4354 177.1025 209 P 4.2013 0.0000 0.0000 65.7041 31.6102 178.8727 210 L 3.9827 7.9388 117.0905 57.7909 41.4509 179.3649 211 A 4.0153 7.8833 120.2550 54.8281 18.3961 179.6019 212 V 3.4947 8.1968 117.2175 66.2990 31.6768 178.2724 213 R 3.9031 8.3171 117.8753 59.5345 29.9838 179.0027 214 A 4.0450 8.1927 120.0008 54.6662 18.3339 179.4916 215 A 3.9019 8.2481 119.8301 55.4189 18.4163 179.8163 216 L 3.5765 7.9575 117.4548 57.8697 41.4475 179.5811 217 Q 4.1538 7.9310 118.2560 59.3678 29.2848 178.1803 218 S 4.2665 8.2306 115.9525 61.5373 62.6377 176.5807 219 A 3.9705 7.7503 122.3700 55.0622 18.2988 179.3331 220 F 4.8238 8.3440 115.6194 58.4595 38.6662 175.0998 221 Q 4.0276 7.7119 118.3146 56.8193 28.5718 175.9410 222 G 4.0063 9.0352 110.8378 46.2924 0.0000 174.5425 223 R 3.8974 7.7865 120.2919 59.0477 29.9588 177.2308 224 D 4.8481 7.9102 113.4649 53.6826 41.2044 175.8463 225 E 3.9728 7.9113 121.7291 56.2608 30.1230 177.1946 226 G 3.9617 8.5585 115.1080 44.9589 0.0000 173.7930 227 D 4.5544 8.6197 118.8025 54.6469 39.9688 177.3668 228 D 4.5228 7.9413 119.0311 54.4760 40.5538 178.3561 229 A 4.0728 8.1498 122.7318 55.0032 18.3958 179.0877 230 A 3.9826 7.9827 118.8189 55.6660 18.4956 179.8501 231 L 3.9513 7.7159 117.3410 57.6072 41.3178 179.9598 232 S 4.1525 7.7177 113.4035 61.3277 62.9165 176.4819 233 R 3.9579 7.5670 121.5305 58.7988 30.1282 178.3979 234 V 3.8091 7.4300 118.3964 65.6591 31.6002 177.5941 235 N 4.3276 8.1585 116.7840 56.2194 36.6351 176.9770 236 E 3.9500 7.6382 118.6360 59.1669 29.7044 178.8767 237 S 4.2404 7.7594 111.0944 60.0309 62.4287 173.9461 238 L 4.3407 7.5063 125.6026 55.2474 41.9525 176.0144 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 3 E 8.44 4.17 0.00 1.93 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 2.18 2.30 0.00 4 A 7.68 4.03 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 5 N 9.40 4.73 0.00 2.76 2.73 0.00 0.00 7.02 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.62 4.68 0.00 3.87 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 7 G 7.54 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 0.00 0.00 0.00 0.00 8 P 0.00 4.47 0.00 2.05 2.01 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 9 G 9.62 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.67 4.69 0.00 2.02 2.01 0.00 2.70 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 11 V 8.75 4.90 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 0.84 0.00 0.00 0.91 0.00 0.00 12 T 9.05 4.40 4.27 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 1.15 0.00 0.00 13 R 8.28 5.05 0.00 1.62 1.65 0.00 3.25 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 14 E 8.63 4.51 0.00 1.94 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 2.13 2.21 0.00 15 Q 8.60 4.67 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 16 R 9.15 4.41 0.00 1.86 1.72 0.00 3.25 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 17 G 8.04 3.67 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 0.00 0.00 0.00 18 H 8.64 5.18 0.00 3.28 3.39 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.91 5.09 0.00 1.74 1.59 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.25 5.07 0.00 3.18 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 21 L 8.86 5.06 0.00 1.68 1.71 0.88 -0.34 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 22 I 9.17 4.84 1.90 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.01 0.92 0.00 0.00 23 G 8.46 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 0.00 0.00 0.00 24 L 8.29 4.05 0.00 1.24 1.24 0.28 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.33 4.84 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.31 4.78 0.00 1.68 1.59 0.00 3.14 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 27 A 8.48 3.94 1.28 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 0.00 0.00 28 G 7.82 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 29 K 8.21 4.47 0.00 1.68 1.74 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.47 7.81 30 R 8.76 3.70 0.00 1.93 1.86 0.00 3.16 0.00 0.00 2.88 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 31 N 8.34 3.68 0.00 2.68 2.42 0.00 0.00 7.07 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 32 A 7.66 4.29 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 33 F 9.56 4.48 0.00 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3.10 3.11 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 61 A 8.63 4.68 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.72 4.26 0.00 3.08 3.23 0.00 5.63 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.88 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 64 E 8.65 4.44 0.00 1.76 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 65 H 7.65 5.12 0.00 3.00 3.02 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.67 4.28 0.00 3.14 3.13 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 67 T 8.27 4.55 4.02 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 0.00 0.00 1.43 0.00 0.00 68 A 8.68 4.26 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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6.95 5.31 0.00 2.39 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 0.00 0.00 0.00 0.00 114 W 9.09 5.08 0.00 3.32 2.95 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 0.00 115 T 9.78 3.34 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 1.24 0.00 0.00 116 A 8.85 4.18 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 0.00 117 G 8.71 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 0.00 118 I 8.14 3.98 2.17 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.99 0.92 0.00 0.00 119 E 7.86 4.27 0.00 2.31 2.51 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 2.52 2.89 0.00 120 L 7.80 3.63 0.00 1.91 1.93 -0.48 0.90 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 *122 L 7.84 4.23 0.00 1.72 1.73 0.79 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.91 3.93 0.00 1.74 1.88 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 132 G 8.92 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 0.00 0.00 0.00 133 T 7.71 4.02 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 0.40 0.00 0.00 134 R 8.53 4.85 0.00 1.27 1.81 0.00 3.04 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 135 F 9.03 5.21 0.00 1.51 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 0.00 0.00 0.00 136 A 8.99 4.85 1.13 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 0.00 137 H 8.80 4.69 0.00 3.43 3.40 0.00 5.82 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 0.00 138 L 7.90 4.08 0.00 1.54 1.52 -0.13 0.40 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 0.00 139 E 8.41 3.93 0.00 2.02 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 2.60 2.44 0.00 140 V 7.82 3.61 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 0.88 0.00 0.00 1.05 0.00 0.00 141 L 7.40 4.09 0.00 1.72 1.72 0.88 0.93 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 0.00 142 R 8.15 4.31 0.00 1.75 1.75 0.00 3.16 0.00 0.00 3.21 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 143 G 7.46 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.21 3.77 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.57 0.91 0.00 0.00 145 P 0.00 4.62 0.00 2.18 2.18 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 146 P 0.00 4.15 0.00 1.96 2.10 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 147 L 7.61 3.98 0.00 1.43 0.99 0.37 -0.30 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 0.00 148 G 8.46 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.19 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.54 4.36 0.00 3.82 3.79 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 0.00 151 T 8.11 4.81 4.44 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 1.42 0.00 0.00 152 V 8.26 3.91 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 1.28 0.00 0.00 1.01 0.00 0.00 153 R 8.05 3.97 0.00 1.98 2.02 0.00 3.33 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 154 F 8.34 4.15 0.00 3.09 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 0.00 155 P 0.00 4.39 0.00 2.37 2.10 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 0.00 *165 R 8.01 3.95 0.00 1.54 1.88 0.00 2.94 0.00 0.00 2.97 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.63 0.00 166 Y 6.92 4.51 0.00 3.09 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 0.00 167 I 7.64 3.62 1.59 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.26 0.72 0.00 0.00 168 L 7.64 4.00 0.00 1.52 1.65 0.87 0.71 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 0.00 169 T 7.38 4.45 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 1.16 0.00 0.00 170 G 8.36 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 0.00 171 D 7.67 4.59 0.00 2.87 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 0.00 172 E 8.71 4.93 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 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7.89 4.18 0.00 1.85 1.95 0.00 3.24 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 183 L 7.93 4.17 0.00 1.33 1.41 0.31 0.29 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 0.00 184 L 7.39 4.75 0.00 1.52 1.47 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 185 T 8.89 4.23 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 0.92 0.00 0.00 186 E 7.79 4.73 0.00 2.07 1.78 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 2.33 2.36 0.00 187 V 8.39 4.91 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 0.89 0.00 0.00 0.98 0.00 0.00 188 V 8.68 4.68 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 0.77 0.00 0.00 0.97 0.00 0.00 189 E 8.68 4.32 0.00 1.88 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 2.40 2.29 0.00 190 P 0.00 4.43 0.00 2.01 1.96 0.00 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0.00 0.00 1.66 1.65 0.00 207 A 6.99 4.12 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 0.00 208 A 8.36 4.12 1.28 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 0.00 0.00 209 P 0.00 4.20 0.00 2.15 2.09 0.00 3.59 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 2.08 2.14 0.00 210 L 7.94 3.98 0.00 1.68 1.71 0.91 0.79 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 0.00 211 A 7.88 4.02 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 0.00 212 V 8.20 3.49 2.20 0.00 0.00 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 0.97 0.00 0.00 213 R 8.32 3.90 0.00 2.04 1.98 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 214 A 8.19 4.05 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 0.00 215 A 8.25 3.90 1.34 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 0.00 0.00 216 L 7.96 3.58 0.00 1.83 1.54 1.02 0.36 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 0.00 217 Q 7.93 4.15 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 218 S 8.23 4.27 0.00 4.03 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 0.00 219 A 7.75 3.97 1.14 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 0.00 0.00 220 F 8.34 4.82 0.00 3.25 2.95 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 0.00 221 Q 7.71 4.03 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 222 G 9.04 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 0.00 0.00 0.00 223 R 7.79 3.90 0.00 1.99 2.13 0.00 3.58 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 224 D 7.91 4.85 0.00 2.74 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 0.00 225 E 7.91 3.97 0.00 1.99 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 0.00 2.36 2.29 0.00 226 G 8.56 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 D 8.62 4.55 0.00 2.73 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 0.00 228 D 7.94 4.52 0.00 2.90 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 0.00 229 A 8.15 4.07 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 0.00 230 A 7.98 3.98 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 0.00 231 L 7.72 3.95 0.00 1.67 1.69 0.89 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 0.00 232 S 7.72 4.15 0.00 4.11 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 R 7.57 3.96 0.00 1.97 2.09 0.00 3.25 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 234 V 7.43 3.81 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 0.98 0.00 0.00 0.92 0.00 0.00 235 N 8.16 4.33 0.00 2.95 3.23 0.00 0.00 7.07 6.93 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 0.00 236 E 7.64 3.95 0.00 2.00 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 2.34 2.44 0.00 237 S 7.76 4.24 0.00 3.89 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 0.00 238 L 7.51 4.34 0.00 1.57 1.49 0.91 1.13 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 * Residues marked with a * may have inaccurate shift predictions.