NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3865 8.2649 123.5825 52.3170 20.0819 176.6387 2 T 4.5695 8.0035 118.4611 60.2924 74.2138 173.4522 3 L 4.2547 9.3673 124.6290 57.9020 42.1463 179.9905 4 K 4.1136 7.9825 118.1263 59.4771 32.1430 179.0029 5 D 4.4422 7.9985 118.5772 57.3858 41.0066 178.4424 6 I 3.7522 8.1817 120.6916 65.1268 37.1698 178.7490 7 T 3.9240 7.7002 114.8920 66.0559 68.0588 177.0165 8 R 3.8706 7.6202 119.9033 59.5447 30.1387 178.7355 9 R 4.1783 7.8187 118.4589 58.1929 30.0048 178.9535 10 L 4.0222 7.8076 119.1389 57.3965 41.3244 179.2143 11 K 3.9491 8.4598 120.3944 59.0790 31.9945 178.6113 12 S 4.4279 7.8677 114.0770 60.2841 63.4669 176.3653 13 I 3.8541 7.7362 123.5759 63.7625 36.7293 178.1507 14 K 4.1969 7.9108 118.6800 58.8029 31.6420 179.0553 15 N 4.1890 7.5464 117.7287 56.3013 38.5796 177.2804 16 I 3.6252 7.6569 120.7695 64.5187 37.1008 178.0608 17 Q 3.9638 8.6579 120.6022 59.2552 28.7539 178.9413 18 K 4.0413 7.5504 119.0759 59.2126 32.4246 179.2146 19 I 3.7092 8.4634 120.8264 64.9165 37.0287 178.7034 20 T 3.9210 8.3512 116.8690 66.2595 68.0928 176.6971 21 K 3.8749 7.6945 121.7414 59.7209 32.1382 178.8046 22 S 4.1723 8.2099 113.2057 61.3657 61.9877 175.8725 23 M 3.8341 7.9643 120.7893 57.5071 31.6066 178.6407 24 K 3.9656 8.0374 120.5341 59.6553 32.4962 178.8045 25 M 4.0648 7.7390 118.9512 58.2760 31.4443 178.7078 26 V 3.5696 8.5702 118.8968 66.2530 31.6467 178.0400 27 A 4.0573 7.8209 119.5168 54.8092 18.0403 179.4658 28 A 4.0275 8.1172 119.4934 55.0957 18.4993 179.7541 29 A 3.9798 7.9627 119.0638 55.2725 18.4859 180.0610 30 K 4.0134 7.8452 116.2460 59.1539 31.9292 179.1940 31 Y 3.9997 8.2620 120.1681 60.7515 38.9932 177.5009 32 A 3.5463 7.7241 121.5153 54.9639 18.3890 179.6120 33 R 3.8254 7.8461 116.8216 59.3744 30.0353 178.5084 34 A 3.9392 7.5851 119.9526 54.4810 18.0751 179.1085 35 E 3.5290 7.7118 117.8534 58.8529 29.3313 178.7328 36 R 4.0338 7.3289 117.3100 59.0500 29.9757 178.4457 37 E 4.1085 8.1344 117.2505 58.0909 29.4189 178.6241 38 L 3.9344 7.3915 119.6312 56.9725 41.8263 178.0086 39 K 3.8391 7.5982 119.2784 59.2787 31.9673 176.8618 40 P 4.2089 0.0000 0.0000 65.8179 31.5631 178.1247 41 A 4.2414 7.7120 120.1524 54.5813 18.0800 179.9872 42 R 4.2687 8.6605 117.5246 59.7013 30.2390 178.9990 43 V 3.5721 7.4350 117.7266 66.3244 31.5331 177.2845 44 Y 4.1026 8.6296 119.4926 60.8790 38.7919 178.5642 45 G 3.2939 8.4982 106.5869 47.3592 0.0000 175.7980 46 V 3.6126 8.4830 121.3144 66.0114 31.4099 178.5552 47 G 3.5810 8.2135 103.9454 47.2900 0.0000 175.4256 48 S 4.2115 7.5141 114.6726 61.2361 62.8281 175.5776 49 L 4.6872 7.8736 119.6733 55.3547 42.7884 177.0499 50 A 4.8562 7.4974 122.1479 50.3846 14.5331 174.6078 51 L 4.2614 7.1869 131.6169 55.3521 46.9148 175.6820 52 Y 4.3114 8.1509 114.4273 59.5678 38.1755 176.0941 53 E 4.5332 8.1692 117.7755 57.2378 30.8567 177.2548 54 K 4.0981 8.0760 116.6774 57.5818 32.6142 176.4979 55 A 4.5572 7.6926 120.5971 49.7436 20.6376 175.4116 56 D 4.3562 8.8043 122.3177 55.5278 41.3628 176.6625 57 I 4.2996 7.8903 123.1389 59.3947 40.1832 174.8784 58 K 4.9099 8.1883 126.5983 55.5288 34.5649 174.9918 59 T 4.6150 8.2302 115.7253 62.6484 72.4000 171.1240 60 P 4.9271 0.0000 0.0000 61.6357 33.8391 172.8594 61 E 4.4871 7.9658 123.8952 55.7595 31.8223 178.0005 *67 L 4.2404 8.7239 135.0000 56.0376 43.3258 173.5033 68 I 4.7966 8.4682 127.7911 59.5612 39.8266 174.8249 69 I 4.8126 8.4693 127.5754 59.4897 40.0773 174.6074 70 G 4.2573 9.1291 115.8233 44.6578 0.0000 172.2858 71 V 4.6210 8.5039 125.7959 62.7660 33.2513 174.0453 72 S 4.8339 8.9646 121.9193 57.5743 65.8269 176.1376 73 S 4.6632 8.7472 115.9303 58.8348 66.6804 176.3575 74 D 4.4386 8.4091 118.4923 56.5006 41.6901 177.1789 75 R 4.0082 7.8948 118.5912 56.4009 30.8629 176.2194 76 G 4.0492 8.5388 121.3630 44.4181 0.0000 174.2839 77 L 3.7336 8.6767 125.3858 55.8361 39.4625 173.9505 78 C 4.5647 7.7753 110.9027 58.1318 31.2213 175.0662 79 G 3.8782 8.4354 114.8118 46.8946 0.0000 175.7127 80 A 5.0750 6.3814 119.3555 49.8990 19.0275 178.5738 81 I 3.9592 7.6229 125.8224 64.8472 37.9883 178.0829 82 H 4.1215 7.8777 116.6486 58.5841 28.1279 177.6753 83 S 4.2870 8.0503 115.4140 60.8841 63.3656 176.4538 84 S 4.2767 7.7197 118.8743 61.3116 62.6909 176.7431 85 V 3.8197 7.7749 114.4212 63.9500 31.5837 178.2603 86 A 4.0982 7.8813 120.7403 54.6228 18.0432 179.6240 87 K 3.9247 7.7704 117.6052 59.5230 31.8586 178.4655 88 Q 4.1626 7.7610 117.7048 57.9998 29.0788 177.7227 89 M 3.9287 7.9605 120.3153 58.4140 31.4305 178.5923 90 K 4.1437 8.0140 118.3362 59.4786 32.8489 179.1243 91 S 4.3352 7.9680 114.8833 60.8957 62.5139 175.0278 92 E 4.3886 7.6437 118.9023 56.9434 29.5686 177.9508 93 A 4.0672 7.8046 120.4460 54.0370 18.4538 178.4101 94 A 4.5228 7.2073 118.1772 53.4553 20.5327 178.4095 95 N 4.4894 7.7370 113.0101 54.3442 38.8906 175.0986 96 L 4.7654 6.6527 117.9662 52.4929 45.2635 176.0361 *101 K 4.0932 8.2646 119.2180 56.0713 33.1866 175.5070 102 E 4.0946 8.7032 123.3862 55.8680 30.2046 176.0591 103 V 4.3249 8.3766 125.3158 61.0370 33.3822 174.2640 104 K 4.5099 8.4997 126.5939 54.5620 34.9763 175.2010 105 I 4.7100 7.8374 125.0404 59.6227 39.9916 174.7052 106 I 4.4922 8.8728 126.3456 59.2893 40.3746 174.5818 107 G 4.4213 8.2204 113.0055 44.2188 0.0000 172.1786 108 V 4.4942 8.8849 127.8024 61.8549 33.4505 176.1036 109 G 4.0719 9.1197 113.4140 45.8491 0.0000 173.7798 110 D 4.3325 9.6090 124.1706 57.2978 41.3701 177.7523 111 K 4.1287 7.8547 116.3754 56.8753 31.5669 176.8454 112 I 4.3685 7.6980 119.6060 62.2913 38.8592 177.5183 113 R 4.5842 8.0298 118.8793 57.9255 30.1448 176.8184 114 S 4.6237 7.9279 111.4609 59.9117 65.4792 175.4716 115 I 3.9223 7.9684 119.8970 63.4976 37.7086 176.3607 116 L 4.7949 7.4062 117.8231 54.6451 41.3956 173.7145 117 H 4.8092 7.4225 119.6166 57.2651 32.9969 175.6524 118 R 3.8854 8.0500 119.1784 59.7724 30.4232 178.0431 119 T 3.9522 7.9424 111.0589 64.5676 68.1080 174.3988 120 H 5.0724 7.9870 116.9097 54.9502 29.1902 175.0917 121 S 3.5725 7.9638 115.0074 60.9855 62.8551 174.1342 122 D 4.6879 7.9746 116.9585 54.8575 41.0336 176.2878 123 Q 4.6156 7.7703 119.1265 55.8527 29.3275 174.7771 124 F 4.5534 8.2081 116.2286 56.0154 40.8060 174.8717 125 L 4.4289 8.0183 125.9110 56.2373 43.2993 176.5958 126 V 4.5022 6.9966 109.6866 60.1327 36.2299 173.4886 127 T 4.8279 7.9375 118.3387 61.7738 72.2136 173.4032 128 F 4.9302 8.5227 121.8750 55.7664 43.1312 174.5149 129 K 4.5972 8.6648 123.9732 54.8652 35.7656 175.8062 130 E 3.7892 8.9315 116.8851 56.9328 27.2681 174.2010 131 V 3.6256 7.4235 119.0526 63.8202 31.8359 177.0550 132 G 4.0317 8.9406 115.8794 45.4279 0.0000 174.6211 133 R 4.0187 7.3316 117.2066 58.4858 30.4296 176.5630 134 R 4.5652 7.5322 115.4031 53.3442 31.9577 174.5329 135 P 4.1270 0.0000 0.0000 62.3410 31.7992 174.5271 136 P 4.6116 0.0000 0.0000 63.1395 32.1807 175.2053 137 T 4.9268 8.2420 115.1817 60.9134 72.5429 175.1218 138 F 3.9010 8.6866 123.6977 61.1442 38.8805 177.2853 139 G 3.6452 8.1343 105.2713 47.7839 0.0000 175.3354 140 D 4.2807 7.9272 120.4984 57.1138 40.8313 178.7193 141 A 3.8286 7.7380 121.0224 54.7745 18.3687 179.6715 142 S 3.8764 7.8476 113.1583 61.4804 63.0332 176.9478 143 V 3.7725 7.4410 121.6641 65.6448 30.9319 178.1427 144 I 3.3866 7.3062 119.1822 63.8407 36.6553 178.2479 145 A 4.0351 7.9304 121.8713 54.9021 18.2153 179.6503 146 L 3.9868 8.3622 117.8926 58.1236 41.7466 179.5073 147 E 4.0557 8.0726 118.8661 59.0006 29.2943 178.6212 148 L 4.1320 7.4739 118.6605 58.0124 42.3247 178.4479 149 L 4.3796 7.6021 116.8771 56.6257 41.8944 178.2906 150 N 4.5913 8.0694 115.8414 54.0671 39.0769 175.6482 151 S 4.4745 7.2376 114.0444 57.6806 64.1349 175.3164 152 G 3.9473 8.5492 112.9269 46.3655 0.0000 174.3054 153 Y 4.6036 7.6986 120.8081 55.2986 38.8982 173.7009 154 E 4.1248 8.0773 123.6467 54.8531 28.2117 176.0616 155 F 4.1071 7.8134 117.8922 56.0878 39.2017 176.3074 156 D 4.4085 8.7750 123.9625 57.2739 40.9739 176.1030 157 E 4.9389 7.7565 115.3997 55.5269 32.6889 174.1972 158 G 4.4177 8.6932 110.9436 44.7644 0.0000 171.1127 159 S 5.0767 9.0226 113.4282 56.6592 66.8295 172.8440 160 I 4.7939 8.8518 123.9899 59.4472 40.0247 173.9590 161 I 5.2251 8.7841 130.8057 59.6516 39.9382 174.7994 162 F 5.1521 8.4756 120.1131 56.2945 42.0668 172.5824 163 N 4.9779 8.7369 116.5099 51.6040 39.2702 175.1416 164 R 4.3980 8.2301 125.6987 55.7674 31.3212 175.6606 165 F 4.8925 9.5789 129.5733 58.3854 39.7593 174.2502 166 R 4.1271 7.7509 121.9206 57.1824 32.3965 175.0890 167 S 4.2652 7.3512 109.4388 56.9629 65.9598 174.8264 168 V 3.7123 8.5984 113.1912 63.9001 31.1929 177.3717 169 I 4.3672 7.2391 111.4208 60.4627 39.5794 175.5572 170 S 4.9724 7.5881 116.2557 56.7986 65.2045 173.0180 171 Y 5.1688 7.7557 118.8633 56.0661 41.1651 173.5313 172 K 4.4519 8.5937 120.8008 54.5672 35.9367 175.4940 173 T 4.3850 8.5969 123.9667 64.0682 69.1654 173.4252 174 E 4.6238 8.6906 125.3078 54.4820 33.6585 174.6403 175 E 5.0806 8.6806 121.8898 54.9496 32.0903 175.7646 176 K 4.6881 8.7336 121.7709 53.9817 36.1517 173.9282 177 P 4.5273 0.0000 0.0000 62.6216 32.5653 175.9108 178 I 3.7800 8.3450 125.4939 58.7227 38.4562 176.4881 179 F 5.0205 7.3892 131.3567 57.3699 38.5414 177.0015 180 S 4.6380 8.0055 112.2067 58.3945 63.1078 173.5725 181 L 3.8107 7.4333 122.1989 55.2549 42.8290 176.9443 182 D 4.7222 8.3828 126.2743 56.2344 41.4953 177.7268 183 T 4.0944 7.7586 114.8549 65.7945 67.4264 175.4885 184 I 4.1450 7.4264 118.7748 61.9441 38.3181 177.2562 185 S 4.6337 7.9904 115.5555 60.2828 62.6840 173.3187 186 S 4.6146 7.3125 116.6804 56.6358 62.5078 172.6051 187 A 4.8419 7.7613 127.9272 49.5788 22.1573 176.6214 188 E 4.0663 8.5207 116.8006 59.4941 29.7385 179.7592 189 S 4.3635 7.9262 114.0908 60.6067 63.5330 175.4108 190 M 4.0450 7.8198 119.4437 57.1753 31.7691 177.6078 191 S 4.3315 7.3884 111.8419 60.8293 63.1940 175.9414 192 I 3.8591 7.2717 123.1331 63.3645 37.2689 175.9596 193 Y 4.2658 7.5260 116.5091 57.1291 38.7300 173.9725 194 D 4.7815 7.7713 121.0934 53.3513 45.2237 173.9000 195 D 4.4121 8.5870 118.0266 55.7189 37.9174 174.2899 196 I 4.6398 7.3337 117.3067 59.6207 40.9801 175.5074 197 D 4.8374 8.2293 121.9874 52.8308 42.6660 177.7636 198 A 3.9033 8.5768 122.9244 54.8091 18.2641 179.2424 199 D 5.3144 7.9531 115.4359 54.7654 42.8845 178.1992 200 V 4.3305 7.5685 120.4693 62.4774 33.1904 176.6191 201 L 4.1492 7.5056 119.7113 57.4939 41.2619 178.9168 202 R 4.2301 7.5078 117.4361 58.5247 30.0471 177.3383 203 N 4.7505 7.8991 115.2242 55.5440 39.5978 176.4301 204 Y 4.0953 8.0447 120.8778 60.8199 38.7222 177.3876 205 Q 4.2937 8.7432 122.2656 58.7651 29.2352 178.2044 206 E 4.0417 8.2648 119.0863 59.5887 29.6549 178.5251 207 Y 4.2304 7.8289 119.8641 60.4097 38.5422 177.4797 208 S 4.1870 8.5028 115.0666 60.4500 63.1152 176.2331 209 L 3.9286 7.6469 124.4647 58.1323 42.0258 178.5466 210 A 3.7672 7.3906 119.3377 54.7778 18.1031 179.4565 211 N 4.7070 7.9208 115.0488 56.8548 38.6794 177.5428 212 I 3.8427 7.4339 118.7460 63.9080 38.0237 178.0071 213 I 3.5503 7.6072 120.6942 64.4576 36.8832 177.7322 214 Y 3.9383 7.7868 120.1132 60.6525 38.6025 177.4119 215 Y 3.8857 8.5614 121.1769 60.7119 38.9696 178.2472 216 S 2.8165 7.9522 115.2923 60.8098 63.0329 176.1938 217 L 3.8220 7.5751 123.9493 57.6983 40.2273 179.0036 218 K 3.7751 7.8689 118.7795 58.8030 31.7613 179.3312 219 E 3.9922 7.7078 119.2388 59.1069 28.9968 178.9385 220 S 4.1906 7.8988 113.3863 61.7337 62.2556 176.2643 221 T 4.0227 7.6841 110.8866 63.9621 68.1173 176.2043 222 T 3.8456 7.1961 117.9149 66.3571 68.6940 177.1219 223 S 4.4848 8.3617 118.5537 60.4373 62.8523 176.4735 224 E 3.6981 8.5384 122.7961 59.4326 29.5715 178.8553 225 Q 4.0809 7.6219 117.7473 58.4831 28.5723 178.9707 226 S 3.7159 7.7775 114.3498 61.1907 63.1841 176.0826 227 A 4.2274 7.4465 123.1627 53.3636 18.4412 179.4471 228 R 3.8592 7.7860 117.7507 59.4352 30.3175 177.9133 229 M 3.9856 8.0504 118.0542 59.0934 32.0996 178.3250 230 T 3.7861 7.7989 115.4187 66.6353 68.6932 176.4359 231 A 3.9893 8.3214 122.9460 55.7537 18.2813 179.5099 232 M 4.0528 8.1954 116.7618 58.0729 31.6532 178.3267 233 D 4.3195 7.9733 117.8601 56.6970 41.3070 178.1556 234 N 4.1897 8.3295 117.2637 56.3143 38.7909 177.2919 235 A 4.0488 8.1671 122.5013 55.0551 18.4636 179.8302 236 S 4.1781 8.5515 113.1929 60.6871 62.9604 175.8073 237 K 4.3964 7.2815 118.9466 56.4944 32.2960 177.2590 238 N 4.6189 8.0773 118.3357 54.8328 38.9628 177.0361 239 A 4.0910 7.8348 121.9038 54.7530 18.6257 179.6087 240 S 4.1237 8.1433 113.8213 61.8548 62.7976 176.5999 241 E 3.9751 8.0612 121.4701 59.3008 29.5237 178.2379 242 M 4.1286 7.7975 118.3338 58.1155 32.2028 178.3572 243 I 3.6440 8.2104 120.6990 64.5901 37.1879 178.1683 244 D 4.3861 7.6855 117.8108 56.5991 40.6585 178.5186 245 K 4.1494 7.8189 120.2289 59.2840 32.3607 178.8049 246 L 4.1929 7.9026 119.1448 57.7904 41.5950 179.5234 247 T 3.8800 8.1534 116.0873 66.4672 68.3284 175.9657 248 L 4.4287 7.8379 118.5478 56.2883 42.2020 178.8425 249 T 4.0372 7.5318 115.2625 65.9946 68.4284 176.6732 250 F 4.0958 8.5512 123.1576 61.3667 39.4158 176.8453 251 N 4.2950 8.2381 115.6157 56.4808 38.3683 177.0833 252 R 3.8838 7.6846 119.3180 60.2639 30.1431 179.1884 253 T 3.9013 7.7860 114.1804 65.8614 68.3763 177.2376 254 R 3.5821 7.8819 121.5825 59.4777 30.1626 178.4749 255 Q 3.9605 8.1855 117.8448 58.8781 28.5766 178.7055 256 A 3.9997 8.1101 121.8756 54.8485 18.4102 179.9001 257 V 3.5013 7.5520 117.0045 65.9522 31.1516 178.4668 258 I 3.6814 7.7023 119.6346 64.6864 37.0154 178.4529 259 T 3.8598 7.9356 116.5716 66.6642 68.1598 176.6705 260 K 3.9724 8.2925 121.6471 59.2882 31.9492 178.4188 261 E 3.9983 8.4344 119.3427 58.2743 29.4213 178.0945 262 L 4.1783 7.4306 119.7925 57.4660 42.5032 178.4189 263 I 3.6787 7.8488 119.8792 64.3339 36.5318 178.0050 264 E 4.1127 8.0284 120.1692 59.0225 29.2785 178.9474 265 I 3.6594 7.1949 119.9858 64.2862 37.3204 178.0436 266 I 3.6784 7.9249 120.6024 64.8088 36.7655 178.5609 267 S 4.2147 8.5208 115.1332 61.6952 62.7270 176.7746 268 G 3.7177 7.4273 106.7620 47.3087 0.0000 175.4545 269 A 4.1523 8.3967 123.2497 53.9792 19.0485 177.8690 270 A 4.8293 8.1438 120.1821 51.2902 17.7420 177.4416 271 A 4.6003 7.4578 121.8716 52.1464 22.9050 176.8566 272 L 4.2051 7.4335 120.1464 54.9855 41.7039 176.6967 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 1 A 8.26 4.39 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 2 T 8.00 4.57 4.42 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 1.21 0.00 0.00 3 L 9.37 4.25 0.00 1.71 1.81 0.87 0.56 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 4 K 7.98 4.11 0.00 1.78 1.87 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.49 7.81 5 D 8.00 4.44 0.00 2.91 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 6 I 8.18 3.75 2.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.38 1.18 0.00 0.00 7 T 7.70 3.92 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 1.06 0.00 0.00 8 R 7.62 3.87 0.00 2.12 2.07 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 9 R 7.82 4.18 0.00 2.04 1.96 0.00 3.19 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 10 L 7.81 4.02 0.00 1.79 1.61 0.71 0.44 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 11 K 8.46 3.95 0.00 1.92 1.95 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 S 7.87 4.43 0.00 4.03 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 13 I 7.74 3.85 1.91 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 1.52 0.82 0.90 0.00 0.00 14 K 7.91 4.20 0.00 1.93 1.84 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 N 7.55 4.19 0.00 2.93 2.84 0.00 0.00 6.82 7.20 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 16 I 7.66 3.63 1.86 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 1.40 0.81 0.91 0.00 0.00 17 Q 8.66 3.96 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 18 K 7.55 4.04 0.00 2.10 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.55 7.81 19 I 8.46 3.71 1.92 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 1.52 1.11 0.91 0.00 0.00 20 T 8.35 3.92 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 1.28 0.00 0.00 21 K 7.69 3.87 0.00 2.04 1.98 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 22 S 8.21 4.17 0.00 3.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 7.96 3.83 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 24 K 8.04 3.97 0.00 1.83 2.03 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.63 7.81 25 M 7.74 4.06 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 26 V 8.57 3.57 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 27 A 7.82 4.06 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 28 A 8.12 4.03 1.45 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 0.00 0.00 29 A 7.96 3.98 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 30 K 7.85 4.01 0.00 1.95 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 31 Y 8.26 4.00 0.00 3.04 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 32 A 7.72 3.55 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 33 R 7.85 3.83 0.00 1.87 1.86 0.00 3.06 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 34 A 7.59 3.94 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 35 E 7.71 3.53 0.00 1.16 1.51 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 1.69 2.01 0.00 36 R 7.33 4.03 0.00 2.05 1.89 0.00 3.11 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 37 E 8.13 4.11 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 38 L 7.39 3.93 0.00 1.79 1.65 0.87 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.60 3.84 0.00 1.93 1.98 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.55 7.81 40 P 0.00 4.21 0.00 2.37 2.33 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.04 0.00 41 A 7.71 4.24 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 42 R 8.66 4.27 0.00 2.19 2.17 0.00 3.29 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 43 V 7.44 3.57 2.33 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 1.12 0.00 0.00 1.05 0.00 0.00 44 Y 8.63 4.10 0.00 3.29 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.50 3.29 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 46 V 8.48 3.61 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 1.02 0.00 0.00 1.00 0.00 0.00 47 G 8.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.51 4.21 0.00 3.88 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 49 L 7.87 4.69 0.00 1.79 1.91 0.92 0.75 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 50 A 7.50 4.86 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 51 L 7.19 4.26 0.00 1.57 1.21 0.65 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.15 4.31 0.00 3.22 3.32 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 53 E 8.17 4.53 0.00 2.03 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 2.46 0.00 54 K 8.08 4.10 0.00 1.77 1.90 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 55 A 7.69 4.56 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.80 4.36 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.89 4.30 0.56 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 1.33 0.65 0.53 0.00 0.00 58 K 8.19 4.91 0.00 1.70 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 59 T 8.23 4.62 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 1.27 0.00 0.00 60 P 0.00 4.93 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 61 E 7.97 4.49 0.00 1.94 1.12 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 2.22 2.31 0.00 *67 L 8.72 4.24 0.00 1.81 1.41 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.47 4.80 1.77 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 1.17 0.74 0.85 0.00 0.00 69 I 8.47 4.81 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.71 0.84 0.00 0.00 70 G 9.13 4.26 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 0.00 71 V 8.50 4.62 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 0.86 0.00 0.00 0.90 0.00 0.00 72 S 8.96 4.83 0.00 3.97 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 0.00 0.00 0.00 0.00 0.00 73 S 8.75 4.66 0.00 4.14 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 74 D 8.41 4.44 0.00 2.68 2.74 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 75 R 7.89 4.01 0.00 1.77 1.86 0.00 3.23 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 1.62 1.63 0.00 76 G 8.54 4.05 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 0.00 0.00 0.00 77 L 8.68 3.73 0.00 1.79 1.75 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.78 4.56 0.00 3.11 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 79 G 8.44 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 6.38 5.07 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 81 I 7.62 3.96 1.64 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.25 0.69 0.00 0.00 82 H 7.88 4.12 0.00 3.26 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.05 4.29 0.00 4.08 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 0.00 84 S 7.72 4.28 0.00 3.83 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.77 3.82 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 0.87 0.00 0.00 1.06 0.00 0.00 86 A 7.88 4.10 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 87 K 7.77 3.92 0.00 2.07 1.94 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 88 Q 7.76 4.16 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 89 M 7.96 3.93 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 90 K 8.01 4.14 0.00 2.09 2.13 0.00 1.34 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.46 7.81 91 S 7.97 4.34 0.00 4.02 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 92 E 7.64 4.39 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 93 A 7.80 4.07 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 94 A 7.21 4.52 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 95 N 7.74 4.49 0.00 2.92 2.90 0.00 0.00 6.79 7.73 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 96 L 6.65 4.77 0.00 1.69 1.54 0.93 0.87 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 *101 K 8.26 4.09 0.00 1.80 1.82 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.46 7.81 102 E 8.70 4.09 0.00 2.00 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 2.42 2.38 0.00 103 V 8.38 4.32 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 0.85 0.00 0.00 0.94 0.00 0.00 104 K 8.50 4.51 0.00 1.13 1.10 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.19 1.09 7.81 105 I 7.84 4.71 1.59 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.09 0.73 0.00 0.00 106 I 8.87 4.49 1.78 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 1.06 0.54 1.03 0.00 0.00 107 G 8.22 4.42 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 0.00 108 V 8.88 4.49 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 0.79 0.00 0.00 0.83 0.00 0.00 109 G 9.12 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 0.00 110 D 9.61 4.33 0.00 2.88 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.85 4.13 0.00 1.79 1.52 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.00 1.30 7.81 112 I 7.70 4.37 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.40 0.93 0.00 0.00 113 R 8.03 4.58 0.00 2.00 2.22 0.00 3.32 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 114 S 7.93 4.62 0.00 3.84 3.82 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 0.00 0.00 0.00 115 I 7.97 3.92 2.08 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 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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 0.00 0.00 0.00 0.00 0.00 0.00 166 R 7.75 4.13 0.00 1.80 1.70 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 167 S 7.35 4.27 0.00 3.91 3.82 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 0.00 0.00 0.00 168 V 8.60 3.71 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 0.72 0.00 0.00 0.94 0.00 0.00 169 I 7.24 4.37 1.87 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 1.34 0.51 0.89 0.00 0.00 170 S 7.59 4.97 0.00 3.76 3.93 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 0.00 171 Y 7.76 5.17 0.00 3.11 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 0.00 172 K 8.59 4.45 0.00 1.64 1.54 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.21 1.28 7.81 173 T 8.60 4.39 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.82 4.04 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 191 S 7.39 4.33 0.00 4.12 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 I 7.27 3.86 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.63 0.89 0.00 0.00 193 Y 7.53 4.27 0.00 3.00 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 0.00 194 D 7.77 4.78 0.00 2.54 2.46 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 0.00 195 D 8.59 4.41 0.00 2.88 2.74 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 0.00 196 I 7.33 4.64 1.86 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 0.61 0.87 0.00 0.00 197 D 8.23 4.84 0.00 2.79 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 0.00 198 A 8.58 3.90 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 0.00 199 D 7.95 5.31 0.00 2.66 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 0.00 200 V 7.57 4.33 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 0.93 0.00 0.00 0.95 0.00 0.00 201 L 7.51 4.15 0.00 1.72 1.89 0.91 0.64 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 0.00 202 R 7.51 4.23 0.00 1.67 2.00 0.00 3.30 0.00 0.00 3.45 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 203 N 7.90 4.75 0.00 3.02 2.89 0.00 0.00 6.80 7.48 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 0.00 204 Y 8.04 4.10 0.00 3.05 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 Q 8.74 4.29 0.00 2.25 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 206 E 8.26 4.04 0.00 2.32 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 0.00 2.47 2.50 0.00 207 Y 7.83 4.23 0.00 3.14 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 S 8.50 4.19 0.00 4.10 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 0.00 209 L 7.65 3.93 0.00 1.94 1.93 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 210 A 7.39 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 N 7.92 4.71 0.00 2.96 3.05 0.00 0.00 6.56 7.22 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 0.00 212 I 7.43 3.84 1.81 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 1.44 1.39 0.94 0.00 0.00 213 I 7.61 3.55 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.72 0.00 0.00 214 Y 7.79 3.94 0.00 2.83 3.20 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 0.00 0.00 0.00 0.00 215 Y 8.56 3.89 0.00 3.16 3.09 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 0.00 216 S 7.95 2.82 0.00 3.46 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.58 3.82 0.00 1.83 1.58 0.81 0.10 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 0.00 218 K 7.87 3.78 0.00 1.39 1.47 0.00 1.69 0.00 0.00 1.40 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.70 0.43 7.81 219 E 7.71 3.99 0.00 1.90 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 0.00 1.70 1.66 0.00 220 S 7.90 4.19 0.00 4.03 3.92 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 0.00 221 T 7.68 4.02 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 1.17 0.00 0.00 222 T 7.20 3.85 4.16 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 0.54 0.00 0.00 223 S 8.36 4.48 0.00 3.97 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 0.00 224 E 8.54 3.70 0.00 1.94 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 2.23 2.22 0.00 225 Q 7.62 4.08 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 226 S 7.78 3.72 0.00 3.99 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 0.00 227 A 7.45 4.23 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 0.00 228 R 7.79 3.86 0.00 1.89 1.89 0.00 3.11 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 229 M 8.05 3.99 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 230 T 7.80 3.79 4.37 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 1.20 0.00 0.00 231 A 8.32 3.99 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 0.00 232 M 8.20 4.05 0.00 2.26 2.16 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 2.61 2.87 0.00 233 D 7.97 4.32 0.00 2.99 2.74 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 0.00 234 N 8.33 4.19 0.00 3.00 2.83 0.00 0.00 6.73 7.17 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 0.00 235 A 8.17 4.05 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 0.00 236 S 8.55 4.18 0.00 4.21 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 0.00 237 K 7.28 4.40 0.00 1.84 1.87 0.00 1.95 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.45 7.81 238 N 8.08 4.62 0.00 3.02 2.85 0.00 0.00 6.88 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 A 7.83 4.09 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 0.00 240 S 8.14 4.12 0.00 3.89 3.93 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 0.00 241 E 8.06 3.98 0.00 2.03 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 0.00 2.37 2.36 0.00 242 M 7.80 4.13 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 243 I 8.21 3.64 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.66 0.89 0.00 0.00 244 D 7.69 4.39 0.00 2.60 2.74 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 0.00 245 K 7.82 4.15 0.00 2.01 1.79 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.48 7.81 246 L 7.90 4.19 0.00 1.88 1.73 0.93 0.79 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 0.00 247 T 8.15 3.88 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 1.20 0.00 0.00 248 L 7.84 4.43 0.00 1.71 1.72 0.99 0.80 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 0.00 249 T 7.53 4.04 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 1.24 0.00 0.00 250 F 8.55 4.10 0.00 3.12 3.30 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 0.00 251 N 8.24 4.29 0.00 2.86 2.90 0.00 0.00 7.06 7.41 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 0.00 252 R 7.68 3.88 0.00 2.04 1.98 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 253 T 7.79 3.90 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 1.13 0.00 0.00 254 R 7.88 3.58 0.00 1.17 1.78 0.00 3.13 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 255 Q 8.19 3.96 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 256 A 8.11 4.00 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 0.00 257 V 7.55 3.50 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 0.98 0.00 0.00 0.89 0.00 0.00 258 I 7.70 3.68 1.97 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 0.80 0.90 0.00 0.00 259 T 7.94 3.86 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 1.20 0.00 0.00 260 K 8.29 3.97 0.00 1.98 1.77 0.00 1.61 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 261 E 8.43 4.00 0.00 2.29 1.91 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 2.29 2.30 0.00 262 L 7.43 4.18 0.00 1.98 1.80 0.91 0.86 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 0.00 263 I 7.85 3.68 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 1.72 0.71 0.90 0.00 0.00 264 E 8.03 4.11 0.00 2.19 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 0.00 2.30 2.34 0.00 265 I 7.19 3.66 2.00 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 1.52 0.68 0.91 0.00 0.00 266 I 7.92 3.68 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 1.69 0.99 0.91 0.00 0.00 267 S 8.52 4.21 0.00 3.84 3.93 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 0.00 268 G 7.43 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 0.00 269 A 8.40 4.15 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 0.00 270 A 8.14 4.83 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 0.00 271 A 7.46 4.60 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 0.00 272 L 7.43 4.21 0.00 1.56 1.59 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.