NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.2657 8.3645 123.5831 52.0601 19.1898 176.5265 18 L 4.4404 8.2489 122.4457 52.5402 42.9954 172.3388 19 R 4.0649 8.6745 122.0344 56.1499 30.2715 176.3509 20 D 4.7588 8.6244 122.8796 50.6918 41.9380 169.2148 21 P 3.7879 0.0000 0.0000 63.9017 29.8806 177.9775 *39 V 3.9058 8.8665 119.2106 63.3036 33.0062 174.6408 *40 Y 4.6287 8.4294 128.4190 55.4778 40.2327 171.1449 41 K 4.2808 8.4954 121.5816 56.1005 32.8572 176.1901 42 G 4.2735 9.2164 117.4979 45.1325 0.0000 172.3625 43 R 5.0233 8.3418 121.8898 55.1873 32.4479 176.2228 *44 H 4.1536 8.8622 124.7754 55.3813 28.3402 175.5168 45 V 3.8268 8.8866 123.7401 63.0512 31.4280 173.6695 46 K 4.4693 7.8189 119.3022 56.8020 34.5010 179.9023 47 T 4.0417 8.0446 111.1807 65.0120 68.4845 176.0458 48 G 4.1429 7.8702 115.1694 46.5176 0.0000 175.2922 49 Q 4.1676 8.3728 123.2380 56.3571 28.9934 178.9078 50 L 4.7272 8.4893 123.2871 54.8396 42.1310 175.6576 51 A 5.0309 8.8041 120.6959 50.8412 23.4715 174.9215 52 A 4.9910 9.3039 124.4890 51.3977 21.3157 177.3342 53 I 4.9475 8.9527 124.3455 59.1940 39.2035 173.5048 54 K 4.3368 8.6945 133.3463 53.5702 32.7144 173.4344 55 V 4.3711 8.3127 129.8585 61.8504 30.8378 175.7161 56 M 4.6479 8.4289 128.5465 53.8442 33.9469 173.9374 57 D 4.7091 8.7614 114.3182 56.8287 43.5509 177.7247 *64 E 4.4322 8.3282 117.0713 56.4808 32.0006 183.9598 65 E 4.1857 8.2220 121.3475 61.4391 29.8556 181.5970 66 I 4.0735 7.8332 122.9328 65.6024 35.8030 181.1758 67 K 4.3036 8.1712 127.8697 60.3110 31.6917 181.5551 68 Q 4.3251 8.1175 124.0791 60.6870 28.0374 181.3038 69 E 4.3113 8.1564 122.9207 61.5514 29.7515 181.9494 70 I 3.7067 7.5979 121.0481 65.0440 35.5785 179.8262 71 N 4.4051 7.9876 120.6460 56.8447 38.2796 178.0979 72 M 4.2171 7.9738 123.6604 60.3502 31.5485 181.1747 73 L 3.9358 7.8385 126.2492 59.6827 40.8594 181.8466 74 K 3.9819 7.8011 124.0108 59.1987 31.5694 180.6459 75 K 4.0978 7.3890 118.0710 58.4103 32.4113 178.1048 76 Y 4.7155 7.4940 113.8822 57.7645 38.8428 176.4785 77 S 4.4194 7.6482 114.5280 59.0472 63.5402 174.0108 78 H 4.5338 7.7646 117.8807 57.0674 29.0009 174.3186 79 H 4.9551 7.7821 117.5361 53.7792 32.8153 174.2288 80 R 3.9470 8.1937 120.0762 58.5885 29.5883 177.0796 81 N 5.4041 8.2583 114.3303 52.1176 38.9003 173.4987 82 I 5.1325 7.4749 119.1812 59.0621 40.4888 174.7639 83 A 4.1587 8.6531 128.8546 52.4553 18.6285 177.1796 84 T 4.0090 8.7199 118.5254 64.4836 69.7146 173.3049 85 Y 4.3479 8.7149 128.3321 57.9895 38.8210 174.5208 86 Y 4.7479 9.1181 124.3597 57.1532 40.1807 176.2420 87 G 3.7588 5.8382 106.9200 45.0148 0.0000 170.1611 88 A 5.2948 8.0896 122.4100 50.8452 22.1964 176.1213 *89 F 4.8884 9.1068 122.6111 56.2842 43.3397 173.7527 90 I 4.4882 7.9833 117.6263 59.9265 38.2005 175.3198 *99 D 4.5133 8.4956 121.8721 56.0929 41.7775 175.8241 100 Q 4.8299 8.6636 124.1416 55.1103 30.1675 176.2700 101 L 4.8607 8.3891 125.8604 52.8501 42.8373 173.3190 102 W 5.1541 9.2818 127.5874 55.1668 31.3648 176.3259 103 L 4.6640 8.8269 129.5070 53.8152 42.4934 173.9443 104 V 4.3596 8.7249 126.1061 60.6061 32.6945 172.9731 105 M 4.9168 9.1975 125.2768 51.6863 36.8204 174.6080 106 E 3.9332 8.1035 121.9840 56.3899 30.0858 176.1288 107 F 4.5615 8.9770 129.5614 58.3164 40.6334 175.0491 108 C 4.3961 7.6772 123.1528 56.9425 28.2863 174.3242 109 G 3.4520 8.1677 111.8071 48.2619 0.0000 172.2630 110 A 3.9934 7.5660 120.6743 52.8560 19.1460 178.4520 111 G 3.6966 7.6816 103.7568 44.7718 0.0000 173.1361 112 S 4.9079 8.1240 113.6767 57.3815 65.9447 175.0332 113 V 3.6075 8.3029 121.8773 66.2758 31.1757 178.4071 114 T 3.9523 7.9732 117.6681 67.3361 68.3388 176.7472 115 D 4.4611 8.0064 125.5433 59.0026 39.7973 180.8858 116 L 4.2831 8.1572 126.4824 59.9980 40.8549 182.1318 117 I 4.0614 8.1303 123.3603 65.6017 35.2816 181.2213 118 K 4.3129 8.0912 127.1693 60.1776 31.5665 180.9271 119 N 4.8377 8.3552 121.4331 56.5226 38.4945 179.2437 120 T 4.2567 7.5056 114.3649 60.9103 69.2274 178.6328 121 K 4.2864 8.4977 127.6746 55.3803 31.9302 176.0095 122 G 3.8961 9.1002 114.0787 44.4896 0.0000 173.5607 123 N 4.8038 8.0385 116.9018 52.6294 35.5745 178.9484 124 T 5.2370 7.5090 110.4498 60.9971 72.8764 176.6488 125 L 4.8482 8.7372 128.9694 53.1673 43.3365 176.8988 126 K 4.1500 8.5779 124.9321 55.1038 32.5008 177.5127 127 E 3.8983 9.5796 127.2438 59.8142 29.2798 179.9801 128 E 3.9931 8.2730 120.0365 61.2970 29.7366 182.0292 *129 W 4.1944 8.1139 125.8113 61.9464 28.4069 181.8472 130 I 3.8336 7.6388 120.5271 64.9503 34.9214 179.8285 131 A 3.4798 7.7811 125.3501 55.3436 18.0060 180.0985 *132 Y 3.7919 7.5273 121.6578 62.7653 37.0628 181.0137 133 I 3.9358 7.9515 125.1117 65.7480 35.5352 180.5347 134 C 4.4976 8.6750 124.1572 63.4457 27.6953 178.6449 135 R 4.1086 7.8517 123.1964 61.4099 28.9942 180.8775 136 E 4.2716 8.2889 122.0447 59.6950 29.3988 180.2222 137 I 3.7851 8.0054 122.7224 65.7027 35.5443 181.1261 138 L 4.3644 8.2799 127.1533 59.9869 40.8243 182.1176 139 R 4.2960 8.2827 121.7044 61.1955 29.4751 181.1870 140 G 3.8397 8.2226 109.2322 48.1792 0.0000 176.4805 141 L 3.9359 8.3358 125.4020 59.1087 40.9399 180.8965 142 S 4.2921 8.3867 114.8004 61.5116 62.1150 175.7851 143 H 4.1238 8.0245 120.1648 59.3832 29.5708 177.0907 144 L 3.9641 7.8090 120.3822 58.3409 41.4992 179.4332 145 H 4.2934 8.6852 116.4295 58.9287 28.3821 177.8648 146 Q 4.0677 8.1027 119.1563 58.8303 28.5319 177.5654 147 H 4.6697 7.7587 117.3465 54.9592 29.3266 175.8267 148 K 3.8794 7.9735 120.8615 55.9095 29.4028 179.6319 149 V 4.3304 7.9158 119.0178 61.4494 33.8716 174.3018 150 I 4.5852 8.1459 127.6041 59.7943 38.4086 175.2583 151 H 4.0100 9.7620 128.4664 58.4611 29.8100 177.9525 152 R 4.0652 8.6585 113.7801 56.8144 28.3729 177.6190 153 D 4.7488 7.6803 115.2859 53.9461 41.3401 175.8925 154 I 3.8172 7.6671 120.3856 60.8220 37.9788 176.0788 155 K 4.0082 7.4615 122.0734 56.0343 34.7687 176.3474 156 G 3.7431 8.4953 109.5455 48.9659 0.0000 175.8082 157 Q 3.8566 7.8023 119.5655 58.4595 29.2471 176.3448 158 N 4.5693 8.2234 113.7037 52.7194 39.0835 173.9332 159 V 4.4506 7.4167 119.7634 61.2974 33.5309 174.5750 160 L 5.1696 8.9217 128.4115 53.0557 45.1642 175.5635 161 L 5.3439 8.6703 120.4907 53.2462 45.3533 177.0745 162 T 4.5462 8.6775 115.6004 60.8628 70.2709 176.3343 163 E 3.9693 8.5900 117.2802 58.7696 29.7160 176.3435 164 N 4.7111 8.1618 112.7778 52.8756 38.5624 174.5402 165 A 3.7116 7.7693 119.6231 53.2455 16.7799 177.9545 166 E 4.3943 8.0996 118.8172 57.2575 31.6189 176.1199 167 V 4.6308 8.3954 125.8402 62.1763 33.5578 175.2279 168 K 5.0183 9.0882 130.9910 53.3796 36.1420 172.0607 169 L 4.7764 8.9227 125.3974 53.6432 43.2021 176.4967 170 V 4.8073 8.1952 115.9003 59.6371 35.7919 172.8251 171 D 4.1687 8.8940 123.0085 55.1392 38.7372 172.4016 172 F 4.5976 8.4422 124.2858 57.0587 39.8758 178.4844 173 G 3.4450 8.1891 114.1480 49.5390 0.0000 177.2090 174 V 3.7964 7.6355 116.3179 63.1351 31.8496 179.9334 175 S 4.2236 7.4182 114.6147 59.3418 61.3150 174.4027 *191 T 3.9765 7.8747 110.3704 59.7370 69.4659 174.4937 192 P 4.7018 0.0000 0.0000 61.7042 32.0668 177.0000 193 Y 4.1331 7.3442 117.4456 60.8262 37.9860 177.2595 194 W 4.7429 8.4311 117.2269 57.0526 30.1934 176.0695 195 M 4.1593 7.9029 119.1112 55.0999 32.0820 176.2598 196 A 2.6768 8.0833 125.5223 50.5389 19.7032 176.5212 197 P 3.9233 0.0000 0.0000 65.5887 31.0466 179.1068 198 E 3.8608 7.6329 114.8362 59.1427 29.5600 178.9263 199 V 3.1924 6.9669 118.2717 65.5404 31.5554 177.8192 200 I 3.7737 7.3511 118.1432 64.8059 37.1276 177.1369 201 A 3.7496 7.9615 120.8507 54.2457 18.1745 177.0312 *210 Y 4.4626 6.9350 115.1606 56.1986 39.9988 174.7822 211 D 4.5564 8.1555 122.1309 52.2960 41.0793 177.1916 *212 F 3.9687 8.7520 116.6253 62.1265 37.8071 173.8987 213 K 4.3303 8.3355 117.4677 59.3510 31.7532 179.4007 214 S 4.2993 7.8939 114.4226 61.5603 62.8536 176.3000 215 D 4.5090 8.1633 121.9593 56.9761 40.5941 178.5824 216 L 4.1680 7.8457 119.6217 56.9379 41.6180 179.2305 217 W 4.0862 8.2097 128.1533 60.7210 30.7656 177.9082 218 S 4.6136 8.1547 116.0211 61.0451 62.1930 176.6079 219 L 4.1086 8.1924 123.0925 58.1080 41.9110 179.2759 220 G 3.3564 7.7540 105.2145 47.8087 0.0000 175.8014 221 I 3.6067 7.6772 122.1254 64.2750 36.6936 178.7056 222 T 4.2956 8.4298 116.8778 66.5452 68.2862 176.6657 223 A 4.1882 8.5031 123.2292 55.3028 18.4084 179.8089 224 I 3.5124 7.6532 118.2196 64.3221 37.1495 178.1774 225 E 3.9952 8.4638 120.4492 59.7138 29.4600 178.9056 226 M 4.1429 8.3690 118.5357 58.0458 31.7913 178.7122 227 A 3.8799 7.8227 120.1804 54.7816 18.7485 178.2447 228 E 4.4281 8.8693 114.1895 56.2474 30.5870 177.4181 229 G 3.9428 10.2492 106.5576 46.3210 0.0000 173.1930 230 A 4.5937 7.1196 119.8827 50.1118 21.9721 174.2147 231 P 4.2616 0.0000 0.0000 61.3678 32.1811 174.3767 232 P 4.0848 0.0000 0.0000 64.0331 31.9132 176.6751 233 L 3.7934 8.6455 119.9460 55.3636 39.0626 176.1366 234 C 2.9122 7.5225 118.3742 61.7005 29.2792 175.6611 235 D 4.4380 7.8658 116.8790 54.7236 39.6700 177.9604 236 M 4.6307 7.4635 116.8197 54.6650 33.9076 176.0568 237 H 4.3558 8.5355 119.8668 55.6995 31.8801 174.3929 238 P 4.0661 0.0000 0.0000 66.1999 31.2504 178.8725 239 M 4.1562 8.3873 119.3835 59.0693 31.8545 179.4916 240 R 4.1027 8.0865 120.1867 61.1695 29.6096 180.6821 241 A 4.3008 8.2862 123.7364 55.7771 18.1986 180.3051 242 L 3.9045 7.9245 119.9604 59.5838 40.9825 180.8903 243 F 4.5488 7.9872 120.1918 61.2051 39.6017 177.1303 244 L 4.0248 8.4898 121.4594 58.0945 39.9833 179.7515 245 I 3.7854 7.9551 120.5667 65.0973 35.1616 178.4623 246 P 4.4606 0.0000 0.0000 64.3355 31.2160 178.4759 247 R 4.0885 6.7516 114.2151 57.4943 30.9168 177.1252 248 N 4.5102 8.0005 115.4084 52.1939 39.1658 173.3799 249 P 4.3901 0.0000 0.0000 61.9274 32.2247 175.9466 250 A 4.0349 8.6440 121.6448 52.3210 18.4806 176.2461 251 P 4.3293 0.0000 0.0000 63.3625 32.0226 176.2088 252 R 4.5342 7.9164 119.6714 54.5693 33.5824 176.5083 253 L 4.3089 8.1582 119.4113 55.4523 41.5698 178.1134 254 K 4.1756 10.0438 129.3113 57.3377 31.8998 176.3194 255 S 4.5947 8.1890 116.9347 57.9218 63.0738 176.5816 256 K 4.5025 8.3704 122.7121 54.7043 32.0903 178.5621 257 K 4.0568 7.6715 116.8915 60.0493 32.8060 177.9045 258 W 4.5619 7.5914 119.0126 56.0987 29.8415 176.5711 259 S 4.5318 9.0659 119.2899 59.0811 64.5100 176.3689 260 K 4.1780 8.7941 129.8741 60.3940 31.5724 181.3478 261 K 4.3596 8.1163 123.7378 59.9074 31.7992 181.8601 262 F 3.6792 8.3976 124.5395 61.5246 39.3948 177.9258 263 Q 3.8004 8.2581 122.8445 60.8908 27.8771 181.3311 264 S 4.3815 8.2418 120.7783 62.8922 62.2952 178.3009 265 F 4.0743 8.2066 126.4107 61.8699 39.0875 177.9541 266 I 3.3221 7.5486 122.1152 65.6446 34.9316 180.4748 267 E 4.0246 7.5758 118.6952 60.8926 29.5373 181.1308 268 S 4.4140 7.5641 114.6996 61.6355 62.9617 176.2918 269 C 4.1365 7.4654 118.3842 61.8340 29.2394 175.0970 270 L 3.8451 7.2928 121.7564 52.7151 39.5438 174.9634 271 V 4.3078 7.7568 120.3541 61.1623 33.2199 175.7404 272 K 3.8985 9.1477 129.6614 57.6363 31.8362 173.2356 273 N 4.6115 8.0595 121.7402 52.6002 38.3065 174.8215 274 H 4.3134 8.8493 123.3614 58.3472 28.8684 178.0177 275 S 3.9967 8.0712 116.3645 61.3560 62.8242 175.4948 276 Q 4.3369 7.7204 116.8943 54.8954 28.4841 179.2144 277 R 4.2309 7.5245 117.8261 56.0983 30.7389 174.5354 278 P 4.5174 0.0000 0.0000 62.1818 32.2261 176.5618 279 A 4.3989 9.0197 123.5129 51.5461 20.5476 179.2705 280 T 3.9373 8.5453 119.2718 67.8488 68.3023 177.6217 281 E 4.1058 8.1859 118.0612 61.0932 29.8553 180.6214 282 Q 4.4466 8.1735 120.0044 59.7891 28.8809 179.1371 283 L 4.2801 8.2395 125.7536 60.2679 40.6674 181.6481 284 M 4.5043 8.1592 121.8193 60.1987 31.4327 182.1938 285 K 4.4980 7.7250 121.4850 56.8920 32.6697 179.6762 286 H 4.5431 7.7130 119.6362 56.3447 30.5774 174.1134 287 P 4.3052 0.0000 0.0000 65.8892 31.4818 178.2829 288 F 4.1960 8.8267 121.4501 61.6294 39.6790 176.6976 289 I 3.7474 7.9575 119.4268 62.8934 35.9380 180.1361 290 R 4.0973 8.5547 121.8013 59.1642 29.3888 179.5262 291 D 4.8120 8.1102 121.8143 51.8457 38.2505 177.8081 292 Q 4.5586 7.5180 122.8791 51.6060 28.8946 174.8315 293 P 4.0796 0.0000 0.0000 64.5669 31.8615 178.3099 294 N 4.7455 7.4712 119.3467 51.4190 37.1840 180.0611 295 E 4.5946 8.4602 125.1981 59.9313 31.7784 177.6380 296 R 4.3447 7.8765 123.9576 61.7429 29.5580 181.1541 297 Q 4.2997 8.0867 123.3922 60.6705 28.2662 181.4765 298 V 3.8831 7.8338 123.3764 66.5438 31.6956 181.3379 299 R 4.2127 7.7879 122.4037 61.9218 29.2580 181.7458 300 I 4.0072 7.7133 123.3892 65.5977 35.4783 180.9435 301 Q 4.2896 8.4921 125.4708 60.6589 27.9733 181.2410 302 L 4.2734 8.1672 127.1031 59.7846 40.7308 181.9222 303 K 4.2639 8.0897 126.2676 60.4493 31.7044 181.2100 304 D 4.7873 8.1398 123.8908 59.0461 39.7552 180.6669 *305 H 4.5982 8.0627 121.5132 60.0802 28.1166 179.4290 306 I 4.3612 7.6517 126.3144 62.0588 35.6018 177.3633 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 17 A 8.36 4.27 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 18 L 8.25 4.44 0.00 1.74 1.44 0.92 0.57 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 19 R 8.67 4.06 0.00 1.82 1.79 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 20 D 8.62 4.76 0.00 2.69 2.48 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 21 P 0.00 3.79 0.00 1.67 1.52 0.00 3.37 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.45 0.00 *39 V 8.87 3.91 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 0.77 0.00 0.00 0.92 0.00 0.00 *40 Y 8.43 4.63 0.00 2.02 2.12 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 41 K 8.50 4.28 0.00 1.91 1.62 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.01 7.81 42 G 9.22 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 0.00 0.00 0.00 0.00 43 R 8.34 5.02 0.00 1.55 1.65 0.00 3.28 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 *44 H 8.86 4.15 0.00 2.63 3.00 0.00 7.20 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.89 3.83 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 0.86 0.00 0.00 0.93 0.00 0.00 46 K 7.82 4.47 0.00 1.73 1.67 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.95 7.81 47 T 8.04 4.04 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 1.21 0.00 0.00 48 G 7.87 4.14 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 0.00 49 Q 8.37 4.17 0.00 1.75 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.01 0.00 0.00 0.00 0.00 0.00 2.37 1.97 0.00 50 L 8.49 4.73 0.00 1.43 1.48 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.80 5.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 9.30 4.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.95 4.95 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 1.09 0.84 0.91 0.00 0.00 54 K 8.69 4.34 0.00 1.46 1.74 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.25 7.81 55 V 8.31 4.37 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 0.89 0.00 0.00 -0.02 0.00 0.00 56 M 8.43 4.65 0.00 1.78 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 57 D 8.76 4.71 0.00 2.61 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 E 8.33 4.43 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.88 0.00 65 E 8.22 4.19 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 66 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0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.36 7.81 75 K 7.39 4.10 0.00 0.92 0.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.34 7.81 76 Y 7.49 4.72 0.00 2.77 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.65 4.42 0.00 4.09 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 78 H 7.76 4.53 0.00 3.22 3.40 0.00 5.64 0.00 0.00 0.00 0.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.78 4.96 0.00 2.61 2.94 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.19 3.95 0.00 1.92 2.01 0.00 3.03 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 81 N 8.26 5.40 0.00 2.96 2.97 0.00 0.00 7.37 7.26 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 82 I 7.47 5.13 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 1.14 0.00 0.00 83 A 8.65 4.16 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 84 T 8.72 4.01 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 1.41 0.00 0.00 85 Y 8.71 4.35 0.00 2.85 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 86 Y 9.12 4.75 0.00 2.75 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 87 G 5.84 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.09 5.29 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 *89 F 9.11 4.89 0.00 1.95 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 0.00 0.00 0.00 0.00 90 I 7.98 4.49 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 1.34 0.61 0.91 0.00 0.00 *99 D 8.50 4.51 0.00 2.69 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 0.00 100 Q 8.66 4.83 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.21 1.92 0.00 101 L 8.39 4.86 0.00 1.34 1.58 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 102 W 9.28 5.15 0.00 3.22 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.83 4.66 0.00 1.32 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.72 4.36 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 0.66 0.00 0.00 0.93 0.00 0.00 105 M 9.20 4.92 0.00 1.73 1.92 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 106 E 8.10 3.93 0.00 1.63 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 107 F 8.98 4.56 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 7.68 4.40 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.17 3.45 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 0.00 110 A 7.57 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.68 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 0.00 0.00 0.00 112 S 8.12 4.91 0.00 4.22 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 0.00 113 V 8.30 3.61 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 1.03 0.00 0.00 0.96 0.00 0.00 114 T 7.97 3.95 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 1.24 0.00 0.00 115 D 8.01 4.46 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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*132 Y 7.53 3.79 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.95 3.94 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 1.38 0.54 0.91 0.00 0.00 134 C 8.68 4.50 0.00 2.77 2.97 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 0.00 135 R 7.85 4.11 0.00 1.83 1.97 0.00 3.24 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 1.56 1.54 0.00 136 E 8.29 4.27 0.00 2.12 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 2.54 2.44 0.00 137 I 8.01 3.79 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 1.38 0.73 0.91 0.00 0.00 138 L 8.28 4.36 0.00 1.64 1.71 0.92 0.85 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 0.00 139 R 8.28 4.30 0.00 1.82 1.96 0.00 3.24 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 1.56 1.52 0.00 140 G 8.22 3.84 0.00 0.00 0.00 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0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.23 7.81 149 V 7.92 4.33 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 0.89 0.00 0.00 0.04 0.00 0.00 150 I 8.15 4.59 1.95 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 1.30 0.73 1.17 0.00 0.00 151 H 9.76 4.01 0.00 3.10 3.22 0.00 5.71 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 0.00 152 R 8.66 4.07 0.00 2.06 1.91 0.00 3.29 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 153 D 7.68 4.75 0.00 2.52 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 0.00 0.00 0.00 154 I 7.67 3.82 1.86 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.90 0.00 0.00 155 K 7.46 4.01 0.00 0.79 0.74 0.00 0.73 0.00 0.00 0.87 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.04 0.86 7.81 156 G 8.50 3.74 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 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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 0.00 263 Q 8.26 3.80 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 264 S 8.24 4.38 0.00 3.74 3.90 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 0.00 265 F 8.21 4.07 0.00 3.06 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 0.00 266 I 7.55 3.32 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 1.38 0.56 0.91 0.00 0.00 267 E 7.58 4.02 0.00 2.10 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 2.26 2.22 0.00 268 S 7.56 4.41 0.00 3.80 3.90 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 0.00 269 C 7.47 4.14 0.00 2.59 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 0.00 270 L 7.29 3.85 0.00 1.21 0.82 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 271 V 7.76 4.31 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 0.82 0.00 0.00 1.03 0.00 0.00 272 K 9.15 3.90 0.00 1.81 1.73 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.02 7.81 273 N 8.06 4.61 0.00 2.78 2.76 0.00 0.00 6.90 7.89 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 0.00 274 H 8.85 4.31 0.00 3.37 3.76 0.00 5.52 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 0.00 275 S 8.07 4.00 0.00 3.93 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 0.00 276 Q 7.72 4.34 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 277 R 7.52 4.23 0.00 1.86 1.99 0.00 3.48 0.00 0.00 3.54 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 278 P 0.00 4.52 0.00 2.11 2.00 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 279 A 9.02 4.40 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 0.00 280 T 8.55 3.94 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 1.29 0.00 0.00 281 E 8.19 4.11 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.97 0.00 282 Q 8.17 4.45 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 283 L 8.24 4.28 0.00 1.67 1.68 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 284 M 8.16 4.50 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 285 K 7.72 4.50 0.00 1.80 1.74 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.38 1.31 7.81 286 H 7.71 4.54 0.00 3.33 3.53 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 287 P 0.00 4.31 0.00 2.26 2.15 0.00 3.26 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 2.08 2.10 0.00 288 F 8.83 4.20 0.00 3.19 3.06 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 0.00 289 I 7.96 3.75 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 1.27 0.83 0.91 0.00 0.00 290 R 8.55 4.10 0.00 1.79 1.87 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 291 D 8.11 4.81 0.00 2.67 2.50 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 0.00 292 Q 7.52 4.56 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.91 0.00 0.00 0.00 0.00 0.00 2.24 1.87 0.00 293 P 0.00 4.08 0.00 2.15 2.19 0.00 3.65 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 1.96 1.94 0.00 294 N 7.47 4.75 0.00 2.58 2.66 0.00 0.00 6.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 295 E 8.46 4.59 0.00 1.94 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 2.21 1.90 0.00 296 R 7.88 4.34 0.00 1.81 1.96 0.00 3.22 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 297 Q 8.09 4.30 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.88 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 298 V 7.83 3.88 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 0.75 0.00 0.00 0.93 0.00 0.00 299 R 7.79 4.21 0.00 1.86 1.97 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 300 I 7.71 4.01 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 1.38 0.54 0.91 0.00 0.00 301 Q 8.49 4.29 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 302 L 8.17 4.27 0.00 1.66 1.70 0.92 0.64 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 0.00 303 K 8.09 4.26 0.00 1.86 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 304 D 8.14 4.79 0.00 2.79 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 *305 H 8.06 4.60 0.00 3.03 3.01 0.00 7.16 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 306 I 7.65 4.36 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 1.38 1.13 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.