NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.3823 0.0000 0.0000 62.5034 32.5599 174.7108 10 V 3.5102 8.4023 118.2961 62.7745 32.1847 176.3404 11 R 4.4856 8.0648 129.5263 54.9032 29.7551 175.5417 12 T 4.0743 7.5258 112.0704 60.7124 71.1988 173.1989 13 P 4.2108 0.0000 0.0000 66.5170 31.4346 178.4691 14 H 4.1398 8.2513 115.9564 58.9683 29.8092 176.9528 15 A 4.0494 7.9714 122.2505 55.2174 18.3591 179.1514 16 D 4.3129 8.3437 117.6648 57.6952 41.0715 179.3960 17 V 3.5655 7.5070 118.5463 65.8320 31.3652 177.8671 18 L 3.8690 7.8905 118.6269 58.0463 41.3593 179.6438 19 L 4.0159 8.1645 117.5291 57.6374 41.5507 179.2891 20 A 4.1402 7.7299 120.2929 54.6796 18.4867 179.0122 21 S 4.3914 7.7730 109.8449 56.9739 63.8705 174.8593 22 V 3.6709 7.5751 119.9794 61.6872 31.2110 178.2545 *27 V 3.8849 8.7453 116.2486 62.3797 33.3596 172.6895 28 L 5.0931 8.5412 129.4249 54.1010 43.1754 175.1097 29 C 5.0074 8.9763 122.8200 57.8671 33.0095 172.7132 30 D 4.9993 8.6587 120.6368 53.9187 41.1590 175.9647 31 F 4.3442 9.0494 128.1452 60.9117 39.8777 174.9380 32 Y 4.2136 8.3125 115.1046 55.8594 39.4297 175.1696 *47 A 4.0017 8.3009 125.4944 52.5083 19.6030 177.3533 48 D 4.7129 8.3549 123.9141 52.8326 41.9286 176.0609 49 G 4.1962 7.5451 105.0613 44.7848 0.0000 173.8874 50 T 3.8265 7.2906 114.0614 64.8194 69.0861 175.6974 51 S 4.1496 8.0200 117.6592 60.9302 62.9010 176.1789 52 E 3.9482 8.2134 121.4250 59.3514 29.5837 178.4667 53 A 4.2247 8.2687 121.1232 55.2022 18.2646 179.4381 54 R 3.8271 8.0018 117.1731 59.7733 30.1515 178.6555 55 E 3.7044 7.8608 118.1415 59.1145 29.2801 179.2668 56 F 4.1926 8.2037 117.6384 60.6066 38.6282 177.4901 57 A 4.5145 8.3833 121.6667 55.1166 17.9829 179.7393 58 T 3.9001 8.0586 113.3098 66.9792 68.6427 176.7360 59 R 4.1836 7.9726 118.4028 58.4232 30.2540 178.9284 60 T 4.0690 7.9709 110.3855 62.4931 68.8915 176.1550 61 G 4.0847 8.4049 109.7660 44.1503 0.0000 174.1069 62 P 3.4866 0.0000 0.0000 61.8384 33.3350 177.9737 63 V 3.9998 8.9303 122.4981 61.9648 32.8946 174.4178 64 S 4.3687 8.3502 122.6267 57.9169 61.4053 172.1213 65 G 4.0171 8.5364 111.7714 42.1299 0.0000 169.6516 66 P 4.6391 0.0000 0.0000 62.9172 32.6929 175.6141 67 V 4.5654 8.8541 122.8871 60.9905 34.3657 174.0042 68 L 4.2932 8.2649 130.0771 53.6369 43.1115 174.4819 69 E 4.8730 8.9459 128.6909 54.5599 31.3225 174.5756 70 L 4.1699 8.6331 127.6250 53.9714 42.7954 176.9580 71 A 3.6576 8.2256 124.4519 53.4617 15.6630 177.5636 72 A 4.2663 7.8005 122.3212 52.0249 18.8158 178.1983 73 G 3.9922 7.7587 105.6885 46.8194 0.0000 175.3519 *75 G 4.0527 7.4769 105.2901 44.1393 0.0000 174.4098 76 R 3.8215 8.2780 122.3180 58.5286 30.1633 177.0909 77 L 4.1009 7.5451 115.8381 55.9301 43.4513 178.6996 78 T 3.9906 7.7089 115.3308 66.6074 68.3293 176.4288 79 F 4.0444 8.0467 119.5303 60.0927 38.7544 175.7423 80 P 4.1700 0.0000 0.0000 65.7934 31.3817 178.2523 81 F 4.0435 7.8497 116.3970 60.5456 38.8111 177.8009 82 L 4.1435 8.3949 118.9341 57.7724 41.1695 179.1092 83 D 4.5357 8.0725 117.7160 56.2295 40.8052 177.5226 84 L 4.3990 7.3718 117.8902 54.4021 42.0627 177.3599 85 G 4.1065 7.9789 108.2783 44.6461 0.0000 174.3370 86 W 4.4218 7.9119 119.4017 56.9161 29.8244 175.2161 87 E 4.5821 8.7880 122.0126 55.9951 30.5330 175.6000 88 V 4.8909 8.8715 124.3466 61.4138 35.0968 174.1724 89 T 4.8875 9.0415 125.0590 62.3593 70.1701 173.4687 90 A 4.9624 8.8577 129.9166 50.1223 21.2817 174.8679 91 L 5.0364 8.6269 125.7495 53.5401 44.3720 174.9486 92 E 4.8494 8.8066 126.0473 54.8656 32.9856 175.7537 93 L 4.1077 8.6452 127.5564 57.0610 42.8837 177.6764 94 S 4.4652 8.3511 113.8705 57.6847 63.7815 174.9164 95 T 3.9386 8.4844 120.1296 64.8593 68.7461 176.9632 96 S 4.0998 7.9795 116.7379 61.1568 63.1520 176.4467 97 V 3.6216 7.7324 121.7443 65.6604 31.2028 177.9295 98 L 4.0720 8.1709 118.5088 57.7114 41.4659 179.3063 99 A 4.0043 8.3730 120.6910 55.3312 18.5065 179.6357 100 A 4.0284 8.1733 119.1869 55.0315 18.2850 179.6709 101 F 4.1762 8.6296 119.7367 61.7040 39.5466 177.5320 102 R 4.0160 8.5545 118.1089 59.1733 29.6112 178.9417 103 K 3.9966 8.0546 118.4711 59.6880 32.3938 178.8145 104 R 4.0498 8.0683 118.0252 59.1649 29.4626 178.8243 105 L 4.3247 8.7021 120.2309 57.8732 41.8830 178.6125 106 A 4.2055 8.1542 119.7953 53.9990 18.4863 178.2691 107 E 4.3582 7.6624 114.9719 55.5663 30.2836 176.0508 108 A 4.5589 6.8102 121.5916 50.3255 20.4069 176.3335 109 P 4.4663 0.0000 0.0000 62.0861 33.3902 177.5689 110 A 4.0504 8.7566 122.6153 55.7622 17.9298 180.0022 111 D 4.3026 8.0194 115.9642 56.5238 39.8345 178.7241 112 V 3.7362 7.7186 119.1104 65.8158 31.7454 177.6589 113 R 3.9414 8.0156 118.4601 59.7169 29.6975 178.1428 114 D 4.4688 8.3114 117.0443 56.6131 41.0944 177.2592 115 R 4.3384 8.0184 116.9617 56.3167 30.7914 174.8376 116 C 5.0753 7.6961 119.0306 57.8224 33.2799 172.8702 117 T 4.5219 8.8939 123.2711 61.7837 70.6868 173.0751 118 L 4.7145 8.3337 126.8425 53.6116 43.3351 176.5536 119 V 4.3974 8.3264 122.4484 61.1000 35.1615 173.8596 120 Q 4.7202 8.8296 129.3792 55.9298 29.4454 174.8746 121 G 3.9585 8.3965 112.0306 46.7275 0.0000 171.8194 122 D 5.4193 7.8683 119.6799 52.6231 43.4405 176.2195 *124 S 4.3680 8.4500 109.7469 58.3478 64.7756 173.0771 125 A 4.6673 7.9199 121.2513 51.3228 20.4816 174.9882 126 F 5.0257 7.9125 114.1008 54.9512 41.1623 176.0414 127 A 4.5791 8.4752 123.6328 51.4633 21.2830 175.7933 128 L 4.9736 8.8960 122.3872 53.2466 45.2894 175.5858 129 D 4.7544 8.3802 118.2849 53.3020 41.2512 176.1390 130 K 4.3625 7.5619 116.6433 55.2604 35.2470 173.9924 131 R 5.0281 7.9943 122.8606 54.5421 33.4943 174.9513 132 F 4.8357 9.4856 118.4865 55.8600 43.0995 176.4198 133 G 3.7539 8.4434 105.7272 48.7676 0.0000 173.6228 134 T 5.2523 7.8119 116.8343 61.8550 73.0943 173.0332 135 V 4.7548 9.1595 125.9758 61.1463 34.7692 174.6094 136 V 5.1951 8.8732 120.4510 59.7680 35.7592 174.4624 137 I 4.8748 8.6359 122.7689 59.6468 41.9939 173.9922 138 S 4.9892 8.7248 122.9926 57.4933 64.1273 174.4068 139 S 4.4521 8.6249 121.5941 61.0820 61.8255 177.1586 140 G 3.7310 8.1545 106.0370 47.9057 0.0000 175.4427 141 S 4.2861 8.0358 116.8817 61.5423 63.0646 176.5659 142 I 3.7522 7.7690 120.7789 64.1449 37.6010 177.2144 143 N 4.5395 7.9774 115.5461 55.4084 38.4756 175.7711 144 E 4.1681 7.9033 116.7527 57.4096 29.9054 176.5078 145 L 4.5759 7.5940 119.8092 52.9020 43.2737 176.9470 146 D 4.6882 8.2919 123.1893 52.4670 42.0899 176.8307 147 E 3.8896 8.6559 118.4701 59.5980 29.6618 178.4754 148 A 4.0156 7.9774 120.2064 55.3224 18.4434 179.2223 149 D 4.3203 8.7624 117.7227 57.3480 40.7621 179.1361 150 R 3.5493 8.1554 118.9444 59.0607 29.9878 179.0687 151 R 4.0898 7.8467 117.8295 59.4082 30.0836 179.3252 152 G 3.8125 7.8544 106.2536 46.9599 0.0000 175.3470 153 L 3.9991 7.9745 122.8956 58.3327 42.1153 178.7350 154 Y 4.5277 7.8591 116.5114 61.2143 37.9811 178.6447 155 A 4.0325 8.1770 121.6454 55.1854 18.2832 179.7348 156 S 3.7480 7.8336 112.5694 61.6114 63.0408 176.7346 157 V 3.7558 7.9493 121.0002 66.0832 31.0570 177.6096 158 R 3.8724 8.0455 118.3520 59.8940 29.6336 178.0160 159 E 4.0910 7.9395 115.1274 58.3581 29.7458 177.0336 160 H 4.9513 8.3262 115.2059 55.3682 30.6936 173.7132 161 L 4.9910 7.6929 119.9128 53.7932 42.5213 176.9150 162 E 4.3462 9.1617 123.8053 54.9832 31.0604 174.7052 163 P 4.2478 0.0000 0.0000 64.9160 31.1865 176.8918 164 G 3.9394 9.0597 110.2985 45.1782 0.0000 173.6448 165 G 4.0083 8.2457 107.4573 46.0054 0.0000 173.4075 166 K 5.0856 9.1352 120.8759 54.7883 36.0422 174.6983 167 F 5.5764 9.3608 125.5506 56.9643 41.2594 174.0634 168 L 5.2227 9.4486 126.9673 53.0051 44.4214 175.6782 169 L 5.5732 8.7211 122.8500 52.9781 45.6687 175.6443 170 S 5.2688 9.0715 117.4002 57.1296 65.6838 173.2459 171 L 4.7242 8.5103 121.4090 53.2409 45.2304 177.0450 172 A 4.3950 9.0088 128.1193 51.2915 19.1526 176.5148 *174 S 4.2432 8.2203 110.7545 58.0655 65.3763 174.1410 175 E 3.8518 8.4897 121.3088 59.5416 29.0774 178.5843 176 A 4.0044 7.9219 118.7868 55.0985 18.5640 179.0132 177 A 4.0742 7.9637 118.6002 55.0482 18.4949 179.1701 178 E 3.9935 8.1144 117.4852 58.3901 30.1709 177.8161 179 S 4.2766 7.4466 114.0877 58.0076 63.5073 173.8444 180 E 4.0948 8.5898 124.1469 55.2991 29.6904 175.3493 181 P 4.2602 0.0000 0.0000 62.7317 31.7701 175.9984 182 L 4.0899 8.3308 121.4903 54.3663 41.5691 176.1428 183 E 4.4228 8.8235 128.1220 56.3005 30.3949 176.6812 184 R 4.4521 8.5215 123.0456 56.1412 30.5516 171.8233 *198 L 4.3198 7.6458 117.1755 55.8451 42.7302 175.7195 199 H 5.0589 8.6448 119.3972 53.8922 31.9809 173.3068 200 V 4.5253 8.4368 121.3508 61.1957 34.2575 174.4915 201 R 4.9732 8.7312 125.3221 54.6934 34.0340 174.6209 202 H 4.8329 8.8514 118.7122 54.1703 30.2870 173.7690 203 L 4.5965 8.2516 124.7489 52.4353 43.0415 175.1425 204 P 4.4131 0.0000 0.0000 62.8066 32.3408 174.9130 205 A 4.6274 8.6552 121.6738 53.0203 21.3353 175.3321 206 E 5.0999 8.0647 113.4429 54.8506 33.0554 173.5367 207 E 4.8729 9.6198 124.9270 54.6401 34.2674 174.3102 208 I 4.8313 8.1511 120.7231 59.7116 39.5938 175.4141 209 Q 4.2939 9.2412 129.6093 55.3330 30.1431 173.8004 210 E 5.3201 8.8538 127.8866 54.2975 31.9055 174.7458 211 I 4.6090 8.5716 120.1802 59.3426 40.8964 174.6397 212 T 4.8847 8.3846 120.1885 62.0335 71.5153 173.1332 213 I 4.6027 9.0531 128.0257 59.6483 40.1127 174.5940 214 H 5.1767 8.2534 120.4802 53.2019 31.5106 171.4802 215 P 4.2878 0.0000 0.0000 62.5928 31.7475 176.7108 216 A 4.1349 8.4561 123.1761 54.9153 18.1317 177.9848 217 D 4.2579 7.6874 117.9574 55.1505 41.9246 175.1378 218 E 3.3688 8.0691 117.3319 55.9119 26.0364 174.1894 *221 D 4.4569 7.7732 118.9206 52.7593 41.7418 173.3272 222 P 4.3719 0.0000 0.0000 62.6837 32.0209 176.2657 223 F 4.5511 8.6039 123.6147 57.1314 39.4267 174.5105 224 V 4.2723 7.8596 119.3314 60.0374 32.8286 175.6775 225 V 4.3218 8.9315 126.8175 61.5416 33.3532 174.0096 226 C 5.3213 9.2894 127.0213 58.4657 30.1301 173.2029 227 T 5.5679 8.6688 113.3879 59.6119 72.3059 172.2483 228 H 5.0557 8.3081 119.2958 55.5052 33.4076 172.2847 229 R 5.3592 8.2875 122.6236 54.4153 33.0463 174.9900 230 R 4.7679 8.8993 118.8973 54.1140 33.5619 174.3697 231 R 4.2539 8.6356 120.9451 56.6557 31.1641 175.6953 232 L 4.7626 9.0883 127.6430 53.3113 44.7544 175.1015 233 L 4.8121 9.3999 127.1279 53.8190 43.0446 177.1433 234 A 4.0647 8.7022 125.1788 51.4120 19.0615 176.7681 235 P 4.1815 0.0000 0.0000 66.1395 31.4190 178.8222 236 D 4.3620 8.0531 116.8489 57.0395 40.7380 178.5019 237 Q 3.9389 7.9215 120.1960 59.1903 29.0667 178.3580 238 V 3.6610 7.7585 118.8245 65.8495 31.6048 177.7629 239 V 3.4957 7.8965 118.0398 66.2554 31.3443 178.1154 240 R 3.9380 8.0720 117.5676 59.4335 29.9057 178.9856 241 E 4.0131 8.3092 118.2215 59.2324 29.4685 179.2387 242 L 3.4696 7.9487 119.4247 57.6174 41.6499 179.6949 243 V 4.1201 7.7324 119.2622 65.6833 31.2831 177.8251 244 R 3.9266 7.8885 117.1453 59.4943 29.9333 177.8333 245 S 4.5021 7.8894 111.5456 58.6379 63.5249 174.6970 246 G 4.0112 7.9057 109.8926 45.4245 0.0000 174.2306 247 F 4.4700 8.4368 119.1980 57.0970 39.9999 174.0276 248 D 5.0788 9.3376 123.8017 53.0139 42.4077 176.0016 249 V 4.4390 8.5246 124.9938 62.3928 31.4269 175.3703 250 I 4.4148 8.6017 121.9699 61.3111 38.8766 175.6360 251 A 4.5850 7.4581 122.4513 51.2105 22.4805 175.2363 252 Q 4.8169 8.6903 119.1659 54.5945 32.4895 174.9221 253 T 4.6540 8.8820 122.3080 60.7300 71.0378 172.1693 254 P 4.8029 0.0000 0.0000 63.0825 32.4423 175.4940 255 F 4.9872 8.1292 114.9104 56.0396 41.7489 172.5138 256 A 4.8003 8.6224 122.9176 50.8300 19.6575 178.8915 257 S 4.3020 9.3101 119.2485 60.8067 63.1456 175.4419 258 G 3.8583 8.1894 108.9729 44.8475 0.0000 175.1204 259 G 4.0061 8.6931 106.0397 45.5153 0.0000 173.7583 260 A 4.4269 7.7479 118.8867 52.1566 22.6875 177.8288 261 G 3.7901 8.5518 106.1539 44.1771 0.0000 172.9766 262 R 3.8702 8.2395 119.6788 55.9643 30.5966 177.4466 263 K 4.1521 8.6260 124.7713 57.0105 31.6858 176.6062 264 D 4.7995 8.1728 126.7956 52.7854 40.1633 175.7787 *266 V 4.1706 7.7938 117.8880 63.9016 33.4405 173.4608 267 L 4.8723 9.2453 130.5997 54.0027 43.3530 174.9673 268 V 4.7217 8.8685 127.6274 61.3023 33.7362 174.0826 269 E 5.1565 9.1869 127.3520 54.5682 32.0429 174.8977 270 A 5.3017 9.0076 125.3453 49.3240 23.1510 174.2837 271 V 4.9729 8.9583 114.7360 60.7276 35.0385 174.4042 *273 P 4.1675 0.0000 0.0000 63.7229 31.6273 175.8113 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 9 P 0.00 4.38 0.00 2.24 2.22 0.00 3.76 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 1.92 1.97 0.00 10 V 8.40 3.51 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 0.76 0.00 0.00 0.94 0.00 0.00 11 R 8.06 4.49 0.00 1.81 1.84 0.00 3.31 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.55 0.00 12 T 7.53 4.07 4.40 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 1.30 0.00 0.00 13 P 0.00 4.21 0.00 2.20 2.18 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 14 H 8.25 4.14 0.00 3.21 3.31 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.97 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.31 0.00 2.94 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 17 V 7.51 3.57 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 0.97 0.00 0.00 0.92 0.00 0.00 18 L 7.89 3.87 0.00 2.04 1.78 0.95 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 19 L 8.16 4.02 0.00 1.60 1.76 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.73 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 21 S 7.77 4.39 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.58 3.67 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 0.64 0.00 0.00 0.19 0.00 0.00 *27 V 8.75 3.88 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 0.90 0.00 0.00 0.96 0.00 0.00 28 L 8.54 5.09 0.00 1.70 1.57 1.07 0.91 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 29 C 8.98 5.01 0.00 2.87 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 30 D 8.66 5.00 0.00 2.75 2.64 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 31 F 9.05 4.34 0.00 2.79 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 32 Y 8.31 4.21 0.00 2.93 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 *47 A 8.30 4.00 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 48 D 8.35 4.71 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.55 4.20 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 0.00 50 T 7.29 3.83 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 1.22 0.00 0.00 51 S 8.02 4.15 0.00 4.16 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.21 3.95 0.00 2.22 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 0.00 2.78 2.68 0.00 53 A 8.27 4.22 1.07 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 54 R 8.00 3.83 0.00 2.09 2.08 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 55 E 7.86 3.70 0.00 1.34 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 1.86 1.47 0.00 56 F 8.20 4.19 0.00 3.63 3.31 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 57 A 8.38 4.51 1.43 0.00 0.00 0.00 0.00 0.00 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134 T 7.81 5.25 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 1.04 0.00 0.00 135 V 9.16 4.75 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 0.76 0.00 0.00 0.92 0.00 0.00 136 V 8.87 5.20 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.81 0.00 0.00 137 I 8.64 4.87 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.46 1.08 0.00 0.00 138 S 8.72 4.99 0.00 4.04 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 0.00 139 S 8.62 4.45 0.00 3.97 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 0.00 140 G 8.15 3.73 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 0.00 0.00 0.00 141 S 8.04 4.29 0.00 4.09 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 0.00 142 I 7.77 3.75 1.97 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 1.55 1.97 0.00 151 R 7.85 4.09 0.00 2.15 2.03 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 152 G 7.85 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 0.00 153 L 7.97 4.00 0.00 1.72 1.51 1.08 1.32 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 0.00 154 Y 7.86 4.53 0.00 3.18 3.22 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 0.00 155 A 8.18 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 7.83 3.75 0.00 3.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 7.95 3.76 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 0.30 0.00 0.00 0.59 0.00 0.00 158 R 8.05 3.87 0.00 1.74 2.09 0.00 3.02 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 159 E 7.94 4.09 0.00 2.06 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 2.47 2.41 0.00 160 H 8.33 4.95 0.00 3.38 3.62 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.69 4.99 0.00 1.55 1.67 1.20 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.16 4.35 0.00 2.03 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 2.29 2.22 0.00 163 P 0.00 4.25 0.00 2.16 2.09 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 164 G 9.06 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 0.00 165 G 8.25 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 0.00 166 K 9.14 5.09 0.00 1.87 1.96 0.00 1.31 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.38 7.81 167 F 9.36 5.58 0.00 3.05 2.91 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 0.00 168 L 9.45 5.22 0.00 1.82 1.90 0.98 0.45 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 0.00 169 L 8.72 5.57 0.00 1.46 1.44 0.20 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 170 S 9.07 5.27 0.00 4.09 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 L 8.51 4.72 0.00 1.48 1.56 0.90 0.62 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 0.00 172 A 9.01 4.40 1.22 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 0.00 0.00 *174 S 8.22 4.24 0.00 4.07 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 0.00 175 E 8.49 3.85 0.00 2.04 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 2.37 2.37 0.00 176 A 7.92 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 0.00 177 A 7.96 4.07 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 0.00 178 E 8.11 3.99 0.00 2.01 2.15 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 2.30 2.32 0.00 179 S 7.45 4.28 0.00 3.91 3.78 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 0.00 180 E 8.59 4.09 0.00 1.95 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 2.31 2.24 0.00 181 P 0.00 4.26 0.00 2.18 2.23 0.00 3.76 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 1.99 2.00 0.00 182 L 8.33 4.09 0.00 1.64 1.66 0.92 0.90 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 0.00 183 E 8.82 4.42 0.00 1.93 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 2.30 2.46 0.00 184 R 8.52 4.45 0.00 1.77 1.84 0.00 3.35 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 *198 L 7.65 4.32 0.00 1.59 1.65 0.90 1.03 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 0.00 199 H 8.64 5.06 0.00 2.97 3.29 0.00 5.83 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 0.00 200 V 8.44 4.53 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 1.03 0.00 0.00 0.95 0.00 0.00 201 R 8.73 4.97 0.00 1.71 1.79 0.00 3.21 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 202 H 8.85 4.83 0.00 3.08 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 L 8.25 4.60 0.00 1.63 1.59 0.93 1.12 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 0.00 204 P 0.00 4.41 0.00 2.04 1.98 0.00 3.62 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 2.07 2.12 0.00 205 A 8.66 4.63 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 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214 H 8.25 5.18 0.00 2.69 3.16 0.00 5.73 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 0.00 215 P 0.00 4.29 0.00 2.21 2.00 0.00 2.74 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 216 A 8.46 4.13 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 0.00 217 D 7.69 4.26 0.00 2.71 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 0.00 218 E 8.07 3.37 0.00 2.20 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 2.09 1.84 0.00 *221 D 7.77 4.46 0.00 2.69 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 0.00 222 P 0.00 4.37 0.00 2.25 2.06 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 223 F 8.60 4.55 0.00 3.03 3.05 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 0.00 224 V 7.86 4.27 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 0.69 0.00 0.00 0.83 0.00 0.00 225 V 8.93 4.32 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 1.15 0.00 0.00 1.08 0.00 0.00 226 C 9.29 5.32 0.00 2.89 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 0.00 227 T 8.67 5.57 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 1.24 0.00 0.00 228 H 8.31 5.06 0.00 3.42 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 R 8.29 5.36 0.00 1.64 1.76 0.00 3.22 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 230 R 8.90 4.77 0.00 1.88 2.09 0.00 3.01 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 231 R 8.64 4.25 0.00 1.86 2.07 0.00 3.45 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 232 L 9.09 4.76 0.00 1.74 1.49 0.92 0.46 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.66 1.93 0.00 241 E 8.31 4.01 0.00 2.24 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 0.00 2.44 2.60 0.00 242 L 7.95 3.47 0.00 1.67 1.56 0.66 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 243 V 7.73 4.12 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 1.38 0.00 0.00 0.96 0.00 0.00 244 R 7.89 3.93 0.00 1.98 2.18 0.00 3.36 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 245 S 7.89 4.50 0.00 4.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 G 7.91 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 0.00 247 F 8.44 4.47 0.00 3.27 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 0.00 248 D 9.34 5.08 0.00 2.73 2.64 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 0.00 249 V 8.52 4.44 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 0.77 0.00 0.00 0.89 0.00 0.00 250 I 8.60 4.41 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.80 0.95 0.00 0.00 251 A 7.46 4.59 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 0.00 252 Q 8.69 4.82 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 253 T 8.88 4.65 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 1.24 0.00 0.00 254 P 0.00 4.80 0.00 2.06 2.03 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 255 F 8.13 4.99 0.00 3.11 3.07 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 0.00 256 A 8.62 4.80 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 0.00 257 S 9.31 4.30 0.00 3.97 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 0.00 258 G 8.19 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 0.00 259 G 8.69 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 0.00 260 A 7.75 4.43 1.22 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 0.00 0.00 261 G 8.55 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 0.00 0.00 0.00 262 R 8.24 3.87 0.00 1.76 1.82 0.00 3.38 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 263 K 8.63 4.15 0.00 1.75 1.71 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.43 7.81 264 D 8.17 4.80 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 *266 V 7.79 4.17 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 0.92 0.00 0.00 0.88 0.00 0.00 267 L 9.25 4.87 0.00 1.65 1.47 0.77 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 268 V 8.87 4.72 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 0.78 0.00 0.00 0.88 0.00 0.00 269 E 9.19 5.16 0.00 1.91 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 2.24 2.21 0.00 270 A 9.01 5.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 271 V 8.96 4.97 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 0.91 0.00 0.00 1.00 0.00 0.00 *273 P 0.00 4.17 0.00 2.04 2.00 0.00 3.62 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 1.89 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.