NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 E 4.3217 8.4444 121.4836 56.1238 31.6138 175.9016 31 Y 3.5130 7.8521 119.8881 55.2289 39.3113 172.4150 32 P 4.3115 0.0000 0.0000 63.3747 33.0057 174.8297 33 T 4.8026 8.7480 111.2534 59.3734 71.6792 175.1023 34 V 3.8018 8.2575 113.5153 63.7808 31.6642 178.9939 35 S 4.0405 8.0550 116.1269 60.9552 62.7238 174.9150 36 E 4.3510 8.1185 116.9777 56.2396 29.7149 176.0454 37 I 4.4110 7.0973 119.4949 58.3337 39.0151 173.3878 38 P 4.3621 0.0000 0.0000 61.7101 32.0432 176.1643 39 V 3.5443 8.2030 119.4872 65.1152 31.5113 176.3577 40 G 4.0509 9.0815 115.0762 44.3148 0.0000 172.3044 41 E 4.7715 8.0150 118.7329 54.5630 32.9942 174.9727 42 V 4.8718 8.0808 119.2714 61.5073 35.0253 174.5625 43 R 4.7846 9.0146 124.3315 54.4675 34.3330 174.1662 44 L 5.2045 8.5336 121.3379 53.3321 44.4694 175.2253 45 Y 4.5454 8.8677 122.8300 55.9898 41.9235 174.4715 *47 Q 4.0049 8.7360 124.7064 55.8889 29.2291 174.8469 48 I 3.8928 8.0451 124.8000 63.4651 38.0032 175.7458 49 A 4.0731 6.5641 120.2861 51.2497 21.5402 173.8949 50 D 4.1721 8.3525 117.7152 55.3428 41.6651 176.6205 51 G 3.5897 8.2267 113.0087 45.7193 0.0000 172.2837 52 V 4.7179 6.5199 118.9057 60.6489 34.5612 174.5641 53 W 5.7880 9.9234 126.9967 55.0267 34.0327 174.0440 54 S 5.3514 9.3020 116.0670 56.8738 65.6449 172.4547 55 H 5.3534 8.9561 118.3571 54.0154 30.9444 173.0251 56 I 5.1160 9.0265 123.3355 59.4443 39.9434 174.4378 57 A 5.0713 8.9318 127.8993 50.3698 22.4358 174.9388 58 T 4.5080 7.9616 118.7476 63.1885 69.3302 174.4803 59 Q 4.5077 8.7889 125.3467 53.8970 32.3819 174.5372 60 S 5.0218 8.2458 116.1769 56.5694 64.6152 173.1622 61 F 4.6695 9.8559 129.6419 57.9735 42.7490 173.6532 62 D 4.0211 9.2440 127.3043 55.0153 39.0720 172.5463 63 G 4.0885 8.1244 107.7918 44.9522 0.0000 172.1184 64 A 4.6310 7.9054 121.3366 50.1260 21.6020 175.3833 *66 V 4.4167 7.9514 118.3067 63.1394 32.6494 174.1479 67 Y 5.0768 8.1416 123.4404 55.2421 41.9399 171.7478 68 P 5.0176 0.0000 0.0000 62.3911 33.5374 174.4561 69 S 5.1380 9.3649 117.7794 56.7659 64.9794 172.2923 70 N 5.4969 9.4052 124.5990 51.9421 40.6920 174.1816 71 G 3.7206 8.7973 108.6531 44.3951 0.0000 170.5965 72 L 5.3629 8.2344 120.1259 53.1953 46.1668 175.2691 73 I 5.1651 9.2104 123.9264 59.6651 41.4870 174.4048 74 V 4.9697 8.8888 126.7523 60.6831 34.3604 174.6006 75 R 4.4555 9.5904 129.9865 56.9312 30.7485 176.2348 76 D 4.8091 9.1612 126.8362 52.0693 42.6327 178.0899 77 G 3.8906 8.9041 117.8910 46.0714 0.0000 171.5700 78 D 4.8700 9.3502 118.5080 53.7587 42.4479 174.7980 79 E 4.9349 7.9477 120.1520 54.3718 32.6860 174.1985 80 L 5.1887 8.3634 117.7350 53.3819 46.0886 175.6341 81 L 5.0587 8.7705 125.0398 53.3638 44.2581 174.5706 82 L 5.0123 9.0260 128.8561 53.5198 44.7076 174.9953 83 I 4.8037 8.7902 127.0428 60.4540 39.1538 173.7977 84 D 4.9373 9.5162 130.2780 53.9077 41.0133 174.9060 85 T 4.3630 7.7918 110.1277 61.1414 70.8494 174.8435 86 A 4.6266 8.4122 124.3079 51.7585 19.2254 174.1480 87 W 3.4935 8.7179 134.5945 60.0642 28.9119 174.8240 88 G 4.0889 9.6810 110.0500 45.0406 0.0000 171.9364 89 A 3.9607 8.5220 120.6347 55.2028 18.1968 179.6830 90 K 3.7124 8.0545 116.5259 60.0856 32.1061 178.4086 91 N 4.2823 8.1167 115.7000 56.8432 38.6300 177.4831 92 T 3.9059 8.2093 116.8318 66.4363 68.5154 176.7143 93 A 3.9934 8.5504 123.0579 55.1221 18.3991 179.5903 94 A 3.9662 8.1987 119.4561 54.8399 18.3831 179.6866 95 L 3.8261 7.9532 119.1683 58.3698 42.1989 179.1650 96 L 3.9103 8.0791 118.8091 57.7619 41.3143 179.4064 97 A 3.9758 7.7517 119.6667 55.1874 18.7573 179.0935 98 E 3.9784 8.3449 117.5432 58.8663 29.5415 179.1140 99 I 3.6041 7.4751 120.2143 64.0908 37.2302 177.6992 100 E 3.6760 8.4226 120.5376 59.0130 29.1059 178.4088 *102 K 4.5036 7.7528 117.4525 56.3761 34.0096 176.4859 103 Q 4.1725 7.8901 116.4311 57.6658 29.0717 176.6560 104 I 4.0446 7.9607 117.2862 61.0606 38.7604 177.2847 105 G 3.9569 8.1249 106.3235 45.1947 0.0000 173.1771 106 L 4.5735 7.3204 118.9322 53.0715 43.3419 174.6949 107 P 4.2393 0.0000 0.0000 62.6946 32.8842 175.3015 *109 V 4.3022 8.3109 123.0767 63.3706 31.7875 174.4675 110 T 4.5046 8.6921 118.9298 62.6654 70.8071 174.7793 111 R 5.5391 7.8904 119.0482 54.6709 35.1825 173.9357 112 A 5.3386 9.4596 122.0645 50.5713 23.2076 175.2869 113 V 4.8897 9.1036 121.1612 61.2324 34.7540 174.3226 114 S 5.3185 8.4475 123.8683 57.1637 63.8245 174.9555 115 T 4.0792 10.3366 116.7849 64.3697 68.9999 173.6609 116 H 5.0785 7.4915 115.3641 54.4359 30.7323 173.6399 117 F 4.3734 9.1119 115.0810 59.1448 38.0758 175.9094 118 H 3.8628 7.0390 119.0395 55.4956 29.1981 175.5370 119 D 4.2750 8.5859 121.9225 57.3067 41.0666 178.1685 120 D 3.3700 7.2605 116.5877 54.3973 39.4745 176.9272 121 R 4.4081 7.8416 118.6176 56.4111 31.7361 177.9254 122 V 4.2059 7.4651 109.3601 61.1878 33.6178 175.5651 123 G 3.9512 8.0090 110.4406 47.3980 0.0000 173.5803 124 G 4.2409 8.9945 112.5937 46.1363 0.0000 175.7048 125 V 3.5925 8.3293 120.5606 66.1425 31.3921 177.4902 126 D 4.3407 9.4315 119.5264 57.3601 40.5133 179.0069 127 V 3.5838 7.7360 118.1460 65.9642 31.6525 177.8677 128 L 3.9912 8.0420 118.8371 57.8550 41.2559 179.4988 129 R 4.1682 8.7392 118.9163 58.9073 30.1319 178.2169 130 A 4.1388 8.1487 118.9718 54.1399 18.6461 178.3604 131 A 4.3575 7.5995 118.3507 52.7770 18.8383 178.6445 *133 G 4.1665 7.6365 104.8763 44.7654 0.0000 173.1001 134 V 3.9777 7.7608 121.0485 62.2544 33.0662 174.8794 135 A 4.7992 8.8760 130.3918 51.3902 19.8658 176.1632 136 T 4.9075 8.4550 113.2742 61.3968 71.1334 173.6631 137 Y 5.4283 9.5497 122.2298 55.2823 42.3532 174.2404 138 A 4.6794 8.0454 120.4286 51.5365 22.2986 176.4369 139 S 4.6724 8.0603 114.1994 57.4554 64.0523 173.8207 140 P 4.1759 0.0000 0.0000 65.4492 30.9524 179.0439 141 S 3.9473 7.8348 111.7347 61.5925 62.3027 176.1854 142 T 4.0104 8.1390 118.7113 66.8161 68.2639 176.8113 143 R 3.9121 8.1661 120.1728 59.2287 30.0813 179.1365 144 R 3.8214 8.1018 118.4293 59.4906 30.1084 178.6378 145 L 3.6292 7.7763 118.5339 57.3921 41.1753 179.3890 146 A 4.1907 8.0996 120.3104 55.0784 18.6249 178.8377 147 E 4.0136 8.1751 117.8117 59.6890 29.5052 179.2046 148 V 3.5551 7.5342 116.5819 65.9970 31.6457 177.1041 149 E 4.2637 8.2303 117.1975 56.7637 29.7274 177.2258 150 G 3.7267 7.9660 106.9861 46.7532 0.0000 172.7999 *165 N 5.1913 7.6943 115.1165 52.4153 39.7147 173.9666 166 E 4.1377 8.5643 118.2954 56.6998 29.9933 176.9833 167 I 4.4562 7.9629 121.8274 58.6519 39.2663 174.0902 168 P 4.3685 0.0000 0.0000 63.2612 31.9198 176.7699 169 T 3.9939 8.6833 119.9947 67.1987 68.5702 175.1320 170 H 4.4700 8.4393 118.7044 55.3490 30.2930 174.3558 171 S 5.1220 8.5618 116.3736 56.9977 65.2845 174.1173 172 L 4.5836 8.4487 124.5359 53.3053 41.7788 176.5585 173 E 4.1709 8.7335 123.6757 56.8153 30.4379 177.2926 174 G 3.9420 8.8435 106.6421 46.2608 0.0000 173.9611 175 L 4.7692 7.6800 115.6323 53.9921 42.8464 177.6702 176 S 3.9998 8.0697 114.0570 59.5564 63.6168 173.8143 177 S 4.7745 8.8960 117.4810 55.9044 63.8945 173.1383 178 S 3.7124 8.7473 122.7400 60.6886 62.8522 175.5282 179 G 3.9497 8.5463 114.1644 44.8355 0.0000 173.4120 180 D 4.7123 8.1720 120.6158 54.4040 41.9760 175.3789 181 A 5.4451 8.4921 122.6045 50.7672 22.6122 175.7561 182 V 4.6258 8.9076 113.1940 59.6792 36.5941 174.6012 183 R 4.5391 8.6964 124.2222 56.1730 31.4322 176.3358 184 F 4.5376 9.1770 127.8661 57.1070 41.1718 174.8951 185 G 3.5915 8.0954 120.7338 45.7821 0.0000 171.0578 186 P 4.4810 0.0000 0.0000 63.5424 31.2010 175.8542 187 V 4.7527 7.8433 111.9159 60.1188 36.9278 173.4367 188 E 5.1312 9.2896 122.6151 54.6475 32.1780 174.4712 189 L 5.0048 9.2007 127.4319 53.6631 43.8231 175.3978 190 F 5.4277 9.2683 125.1390 56.6390 43.2780 172.6973 191 Y 4.9484 8.3767 127.8196 55.4181 39.8184 174.1293 192 P 3.8084 0.0000 0.0000 62.2042 32.2316 174.8746 193 G 2.9343 6.0704 103.5950 42.7445 0.0000 173.1695 194 A 4.2920 8.0485 121.3865 52.3569 20.5977 174.6824 195 A 4.0472 8.7643 126.3950 52.3156 24.4770 178.3969 196 H 2.9521 7.9664 124.0334 57.8542 30.9643 173.8813 197 S 5.0340 8.0894 111.5429 56.3789 65.8572 174.8555 198 T 4.0585 8.5047 110.9108 63.4013 68.8106 174.7214 199 D 4.7134 7.8763 119.9235 52.4557 40.4873 176.0859 200 N 4.5595 7.7569 117.8238 53.7611 37.5193 174.0866 201 L 5.1325 8.3441 120.4758 53.1308 45.1210 176.1340 202 V 4.6234 8.9417 114.2761 59.5981 35.3406 174.7649 203 V 5.0271 9.0828 122.7949 61.3302 34.7133 173.5646 204 Y 4.8716 8.7478 128.3914 55.8757 41.8004 174.4908 205 V 3.7571 8.3617 127.8230 60.7670 31.3730 173.8574 *209 P 4.2522 0.0000 0.0000 62.3003 33.0977 178.8230 210 S 4.1253 8.0143 111.8118 59.9344 62.9862 174.3429 211 A 4.4084 7.5114 120.7438 52.2353 20.0872 176.1578 *215 S 4.5584 7.6133 111.5375 58.3829 64.6462 173.3320 216 V 4.7722 7.3100 119.3184 61.1725 33.8308 173.7831 217 L 5.1098 9.2474 130.4398 53.5426 44.3696 174.0792 218 Y 5.1608 9.9433 129.4742 56.3494 39.9429 175.9269 219 G 3.2376 8.9230 114.2680 45.8705 0.0000 172.5530 220 G 3.4708 6.5249 109.0103 45.6098 0.0000 174.9602 *222 A 4.0794 7.7163 125.6876 50.3434 21.3067 176.7777 223 I 4.5075 7.4637 116.6322 59.6583 39.9753 174.7488 224 Y 5.0944 8.5787 123.7528 56.6717 39.3728 175.2454 225 E 4.4564 8.4131 119.6613 55.2326 31.1436 177.5800 226 L 3.5052 8.3088 119.5350 57.9495 41.7001 179.1900 227 S 4.1456 7.9205 112.8035 60.1551 62.9748 173.8701 228 R 4.2383 7.7205 121.7852 55.3382 29.8639 175.7986 229 T 4.2945 8.4329 116.0288 62.1832 69.9028 174.6305 230 S 4.7112 7.4953 114.4123 55.5025 65.9609 173.4373 231 A 4.1801 8.3363 123.8381 52.3263 19.6903 178.6041 232 G 4.0830 7.8002 113.9069 45.2879 0.0000 176.3947 233 N 4.6128 8.8238 127.0797 53.0138 38.8077 174.5759 234 V 4.5112 8.2619 118.7179 61.0831 32.8342 177.7200 235 A 4.0004 8.1427 125.4223 55.3699 18.2951 179.5473 236 D 4.8281 8.1016 113.0453 54.0919 41.2328 176.1718 237 A 4.6992 7.3412 121.7344 50.6620 20.0569 178.0835 238 D 4.8476 8.2996 120.4072 51.8188 40.5465 176.6754 239 L 4.2054 8.4559 123.9487 57.3159 42.1976 178.8367 240 A 4.1705 8.1803 120.3777 54.6921 18.6529 177.9508 241 E 4.3599 8.9651 114.9749 57.3936 30.7717 178.0843 242 W 4.3218 8.5252 129.2756 60.3210 30.5164 176.0099 243 P 4.2794 0.0000 0.0000 66.1162 30.8769 178.8174 244 T 3.9139 7.9326 113.8496 66.6275 68.3011 176.8362 245 S 4.4038 8.1766 118.7972 60.9531 62.7477 176.6791 246 I 3.8018 8.0464 122.8125 64.3754 36.8031 178.0719 247 E 3.9403 8.4429 120.2356 59.3607 29.5355 179.1386 248 R 4.0520 7.8709 117.7694 59.1847 30.0848 179.0994 249 I 3.9231 7.7133 119.5261 64.2385 36.8702 178.2560 250 Q 3.9474 8.0607 119.8275 59.4043 29.0591 178.1358 251 Q 4.0391 8.3166 117.8822 58.4237 28.7683 177.2585 252 H 4.0055 7.6282 117.7418 56.5667 31.2032 174.4051 253 Y 5.0060 7.2514 117.1249 55.2376 38.2585 175.1967 254 P 4.3209 0.0000 0.0000 64.9080 32.1952 177.7700 255 E 4.3209 8.0552 114.4651 55.8947 30.3513 175.8662 256 A 4.5074 7.8377 123.5851 53.5708 18.8583 177.1104 257 Q 4.5298 9.0774 121.0728 56.3990 31.1643 176.1969 258 F 4.8722 8.4754 117.7337 55.5605 42.2636 174.4658 259 V 4.8641 9.2426 124.8596 61.2354 33.8033 174.1861 260 I 4.8126 9.0897 129.8987 59.1379 38.8035 173.9875 261 P 4.8351 0.0000 0.0000 62.0572 32.3389 176.5538 262 G 3.9654 8.7918 107.9038 49.1681 0.0000 173.5954 263 H 5.5101 8.2877 115.3364 54.8940 32.4664 174.1021 264 G 4.1090 8.1890 108.0015 45.4300 0.0000 172.6711 265 L 3.4768 8.2943 118.7947 53.9996 42.0085 174.8107 *277 P 4.3146 0.0000 0.0000 63.3452 32.5434 176.0647 278 G 3.7191 8.8305 107.0843 46.3168 0.0000 170.4499 279 G 4.3178 7.9402 108.7585 45.1121 0.0000 174.4202 280 L 4.3507 8.6505 118.8087 56.7821 41.5698 178.4673 281 D 4.5098 8.0346 119.0709 55.7167 39.3163 178.1593 282 L 4.0205 7.8644 120.7059 57.5085 41.4076 179.2772 283 L 3.9684 7.9450 119.2609 57.7768 41.5880 179.4350 284 K 3.9140 7.9903 119.0444 59.4941 32.1481 177.9485 285 H 4.0877 8.4248 118.7164 59.6962 29.7995 177.0674 286 T 3.7163 8.2473 117.6934 67.1608 68.2270 176.5975 287 T 3.7119 8.0672 117.5920 66.5944 68.4127 176.4696 288 N 4.2420 8.5191 118.7654 56.3034 38.5576 177.7022 289 V 3.5190 8.0025 120.0903 65.8187 31.5347 178.3135 290 V 3.2688 7.8714 118.4691 65.5959 31.3735 177.9461 291 K 3.8071 8.1149 118.2724 59.6033 31.7477 178.9186 292 A 3.9740 7.6561 119.3455 55.5652 18.3384 178.8239 293 H 4.1708 7.9459 115.5116 59.7754 30.0336 177.2758 294 T 3.9907 7.9845 116.5349 66.0698 68.2960 174.4878 295 N 4.6494 7.7303 121.5577 53.2722 38.9621 174.6913 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 30 E 8.44 4.32 0.00 2.05 2.18 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 2.53 2.48 0.00 31 Y 7.85 3.51 0.00 2.78 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 32 P 0.00 4.31 0.00 1.80 1.89 0.00 2.35 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 33 T 8.75 4.80 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 34 V 8.26 3.80 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 35 S 8.06 4.04 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 36 E 8.12 4.35 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 37 I 7.10 4.41 1.86 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 1.33 0.71 0.89 0.00 0.00 38 P 0.00 4.36 0.00 2.19 2.16 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 39 V 8.20 3.54 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.88 0.00 0.00 40 G 9.08 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 41 E 8.02 4.77 0.00 2.06 1.83 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 2.20 2.19 0.00 42 V 8.08 4.87 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 0.86 0.00 0.00 0.99 0.00 0.00 43 R 9.01 4.78 0.00 1.68 1.73 0.00 3.30 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 44 L 8.53 5.20 0.00 1.50 1.54 0.66 0.69 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 45 Y 8.87 4.55 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 Q 8.74 4.00 0.00 1.80 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 48 I 8.05 3.89 1.70 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.88 0.57 0.00 0.00 49 A 6.56 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.35 4.17 0.00 2.46 2.42 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 51 G 8.23 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 6.52 4.72 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 0.87 0.00 0.00 0.80 0.00 0.00 53 W 9.92 5.79 0.00 3.16 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 54 S 9.30 5.35 0.00 4.12 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.96 5.35 0.00 3.21 3.44 0.00 5.41 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 9.03 5.12 1.83 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 0.92 0.79 0.95 0.00 0.00 57 A 8.93 5.07 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 58 T 7.96 4.51 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 1.14 0.00 0.00 59 Q 8.79 4.51 0.00 0.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.07 2.70 0.00 60 S 8.25 5.02 0.00 3.75 3.61 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 70 N 9.41 5.50 0.00 3.12 2.86 0.00 0.00 6.71 7.62 0.00 0.00 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 G 8.80 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 72 L 8.23 5.36 0.00 1.20 1.27 0.96 1.24 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 73 I 9.21 5.17 2.04 0.00 0.00 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 1.11 0.57 0.82 0.00 0.00 74 V 8.89 4.97 2.14 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 1.00 0.00 0.00 0.97 0.00 0.00 75 R 9.59 4.46 0.00 2.18 1.93 0.00 3.45 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 76 D 9.16 4.81 0.00 2.74 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.90 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 78 D 9.35 4.87 0.00 2.64 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 79 E 7.95 4.93 0.00 2.03 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 2.21 2.23 0.00 80 L 8.36 5.19 0.00 1.53 1.47 0.81 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.77 5.06 0.00 1.81 1.73 1.14 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 82 L 9.03 5.01 0.00 1.79 1.67 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.79 4.80 1.72 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 1.06 0.00 0.00 84 D 9.52 4.94 0.00 2.88 2.82 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 85 T 7.79 4.36 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 86 A 8.41 4.63 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 87 W 8.72 3.49 0.00 3.56 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 9.68 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 0.00 0.00 0.00 89 A 8.52 3.96 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 90 K 8.05 3.71 0.00 1.77 1.79 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.46 7.81 91 N 8.12 4.28 0.00 3.05 2.95 0.00 0.00 6.98 7.05 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 92 T 8.21 3.91 4.41 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 1.26 0.00 0.00 93 A 8.55 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 94 A 8.20 3.97 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 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0.00 2.37 2.43 0.00 251 Q 8.32 4.04 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 252 H 7.63 4.01 0.00 2.67 1.75 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 Y 7.25 5.01 0.00 2.93 2.37 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 0.00 254 P 0.00 4.32 0.00 1.99 2.08 0.00 3.52 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.21 0.00 255 E 8.06 4.32 0.00 2.18 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 2.53 2.39 0.00 256 A 7.84 4.51 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 Q 9.08 4.53 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.56 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 258 F 8.48 4.87 0.00 2.95 3.02 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 0.00 259 V 9.24 4.86 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.01 0.00 0.00 260 I 9.09 4.81 2.19 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 1.16 0.00 0.00 261 P 0.00 4.84 0.00 2.29 2.11 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 262 G 8.79 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 0.00 263 H 8.29 5.51 0.00 3.13 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 264 G 8.19 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 0.00 265 L 8.29 3.48 0.00 1.64 1.43 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *277 P 0.00 4.31 0.00 2.08 1.97 0.00 2.39 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 278 G 8.83 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 0.00 279 G 7.94 4.32 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 0.00 280 L 8.65 4.35 0.00 1.71 1.74 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 281 D 8.03 4.51 0.00 2.89 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 282 L 7.86 4.02 0.00 1.78 1.80 1.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 283 L 7.94 3.97 0.00 1.79 1.74 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 284 K 7.99 3.91 0.00 1.86 1.93 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.54 7.81 285 H 8.42 4.09 0.00 3.28 3.51 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 286 T 8.25 3.72 4.31 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 0.78 0.00 0.00 287 T 8.07 3.71 4.34 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 1.16 0.00 0.00 288 N 8.52 4.24 0.00 2.79 2.81 0.00 0.00 6.66 8.29 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 0.00 289 V 8.00 3.52 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.83 0.00 0.00 290 V 7.87 3.27 1.61 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 0.78 0.00 0.00 -0.66 0.00 0.00 291 K 8.11 3.81 0.00 1.91 1.81 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.56 7.81 292 A 7.66 3.97 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 0.00 293 H 7.95 4.17 0.00 3.22 3.45 0.00 5.77 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 0.00 294 T 7.98 3.99 4.41 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 1.22 0.00 0.00 295 N 7.73 4.65 0.00 2.69 2.69 0.00 0.00 6.87 7.07 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 * Residues marked with a * may have inaccurate shift predictions.