NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2956 8.4449 118.7928 55.5229 30.8470 178.7819 6 K 4.0485 8.7579 115.1297 56.2226 32.6766 173.3342 7 T 4.4823 9.0834 121.7400 62.5910 70.5857 174.0087 8 E 4.9136 8.8343 126.1336 56.2977 31.2438 176.0531 9 V 5.0277 8.8777 121.5856 60.2244 35.6144 173.8665 10 V 4.8146 8.9524 123.1539 61.2528 34.1130 174.2307 11 L 4.8587 9.1143 128.8909 53.9588 43.1034 175.3241 12 L 5.1115 9.0014 126.9868 53.2956 44.4491 174.8658 13 A 5.2058 9.5148 129.1419 49.6349 20.5767 174.6411 14 C 4.8929 8.7485 119.2161 60.5609 29.3945 173.6026 15 G 3.6308 8.3923 107.8500 45.9924 0.0000 174.5618 16 S 4.1858 8.5808 115.7600 59.4762 63.7661 175.0151 17 F 3.4429 6.9291 117.2979 58.7822 36.1695 175.2160 18 N 5.2688 7.5480 118.5432 51.0333 38.9757 170.6786 19 P 5.1295 0.0000 0.0000 59.8169 34.1299 175.8794 20 I 4.1919 8.1040 118.3763 61.0910 38.5984 174.3744 21 T 4.8554 8.5245 113.9393 58.8196 71.7598 174.2429 22 N 4.2591 9.0816 119.7670 56.9172 38.2742 177.4272 23 M 4.0768 7.7983 119.0097 58.8213 32.0804 177.9953 24 H 4.3132 8.1864 115.7667 58.8584 29.2365 177.4629 25 L 4.3018 8.0548 120.3329 57.8733 41.4794 179.0848 26 R 3.9769 8.5113 119.0150 59.5713 29.9176 177.8708 27 L 3.8979 8.1038 119.9695 58.3978 41.9654 179.1846 28 F 4.1581 8.2944 117.2585 60.7084 38.8577 177.2132 29 E 4.3165 8.7423 117.7750 59.7938 29.3131 179.4654 30 L 4.0273 8.3601 118.4973 57.8365 41.7563 179.4368 31 A 4.0081 8.1032 120.6017 55.0891 18.3623 179.5434 32 K 3.8638 8.8265 118.4702 59.8724 32.2297 178.7879 33 D 4.3816 8.4496 119.3234 57.2757 40.7739 178.2202 34 Y 3.9645 8.0886 120.0981 60.8954 38.7259 177.2836 35 M 4.0320 8.4521 118.7253 58.8142 32.3998 178.3490 36 N 4.8424 7.7478 117.6893 55.7825 38.4788 177.6369 37 G 3.6182 7.9029 106.4047 47.9666 0.0000 175.4235 38 T 3.8948 7.4161 110.4415 62.7258 68.8666 175.8727 39 G 3.9117 8.1964 109.6189 45.3666 0.0000 173.9309 40 R 4.4497 7.7417 115.3469 55.9367 30.4162 175.0525 41 Y 5.4036 7.6404 116.1804 57.1799 43.2216 174.3104 42 T 4.8008 8.9859 117.3610 62.0131 72.5611 173.5751 43 V 4.3369 8.8768 128.2354 62.7860 31.5176 176.1151 44 V 4.3012 8.4972 121.3395 60.8549 32.5643 176.1055 45 K 4.7489 7.5222 120.6163 55.9986 35.2960 173.2487 46 G 4.3208 8.8837 113.1448 44.3928 0.0000 171.9799 47 I 4.9397 9.1765 123.5236 59.3411 40.9667 174.4092 48 I 4.3241 8.5268 129.2750 60.1969 38.9491 174.9954 49 S 5.0841 8.7285 122.4866 55.1154 63.3698 170.5983 50 P 5.0235 0.0000 0.0000 62.4668 31.8793 176.4073 51 V 3.9731 8.3714 123.7446 61.3864 32.4007 176.5533 52 G 3.8468 8.5792 111.4255 45.2256 0.0000 174.3769 53 D 4.5102 8.7229 119.9235 56.1949 40.9246 178.1329 54 A 4.3368 7.9453 120.8021 53.4824 19.0033 177.7995 55 Y 4.1091 8.5325 118.0606 58.5655 38.9792 176.9033 56 K 4.1842 7.8413 116.0173 56.0549 30.5008 175.2509 57 K 3.7863 7.7523 120.1019 55.5731 32.7137 176.0260 58 K 4.2048 8.5028 127.0883 58.2217 32.3493 176.9574 59 G 3.8507 9.0696 113.0769 45.5259 0.0000 173.3401 60 L 4.0382 7.8236 121.7651 54.8396 41.3853 176.6294 61 I 4.0126 8.2596 119.8121 59.2053 38.5914 173.9142 62 P 4.5168 0.0000 0.0000 63.0651 31.8666 177.2653 63 A 4.0576 9.4520 124.9036 55.7357 18.1986 179.7445 64 Y 4.1590 8.1850 115.4762 60.9520 37.8000 178.5079 65 H 4.2818 7.2037 117.7250 58.5015 28.7526 178.0392 66 R 4.0201 7.8538 119.6284 59.0740 29.9505 179.0972 67 V 3.5425 8.4938 118.5077 66.0523 31.4862 178.2317 68 I 3.5872 7.8939 119.6894 64.4789 36.8488 178.3776 69 M 3.7706 7.9409 119.3642 58.2907 31.7554 178.7156 70 A 3.9598 8.0903 120.7330 54.7471 18.5134 179.6038 71 E 3.9145 8.0324 119.0066 58.8369 29.3602 179.2761 72 L 3.9348 7.8585 118.1085 57.7252 41.6919 179.1877 73 A 4.1375 7.8137 120.2466 54.2738 18.1323 178.6957 74 T 4.2077 7.2887 105.8915 61.1334 69.0381 176.2232 75 K 3.7185 7.6306 123.8471 59.9897 32.1080 177.0142 76 N 4.7016 7.9472 111.8895 53.1695 38.7928 174.8166 77 S 4.5151 7.8399 114.0738 57.5050 63.1999 174.1248 78 K 4.4538 8.6177 124.4952 56.9675 32.7406 177.2408 79 W 5.2662 7.7202 112.6544 55.8932 31.4072 174.1430 80 V 4.1971 7.1841 121.5773 60.8589 32.7209 174.3844 81 E 4.5694 8.6666 124.6361 54.7673 33.7012 173.8992 82 V 4.4973 8.0687 120.1039 61.7335 32.8095 174.2941 83 D 5.1313 8.7022 127.6251 52.7783 42.7126 176.4066 84 T 4.3637 8.6548 114.8026 61.5539 69.5173 176.2250 85 W 4.1767 8.7924 133.1561 61.0610 30.6215 176.8997 86 E 3.3103 8.4883 118.3834 59.3021 28.9621 178.7442 87 S 4.1457 7.3890 112.3710 60.6406 62.9832 175.3418 88 L 4.2612 7.1746 120.9890 54.6493 42.1632 176.9169 89 Q 3.9866 6.8876 117.9891 55.3943 29.2741 176.4309 90 K 4.1025 8.3399 119.8038 58.5316 32.6648 177.5562 91 E 4.4269 7.7332 117.9275 54.2510 30.5408 175.8110 92 W 4.1719 8.8306 133.1638 57.7265 31.1896 174.6565 93 K 3.8946 7.0076 125.2668 53.6743 33.5845 175.5359 94 E 3.2008 7.7163 125.7639 56.3526 30.1693 177.7995 95 T 3.8231 8.5934 120.4773 67.0039 68.4441 176.1245 96 L 3.9622 7.9895 121.4669 58.0410 42.1046 179.0993 97 K 3.9690 8.1498 118.5880 59.4863 32.1379 179.4694 98 V 3.8382 7.8043 117.9868 65.9108 31.2940 178.0319 99 L 3.7903 7.8494 118.7961 57.6361 41.3642 179.2072 100 R 4.3222 7.7571 119.9747 59.0989 29.9234 177.7077 101 H 3.6930 8.3085 118.2412 59.7755 29.4992 176.9997 102 H 3.9164 7.5784 116.1106 58.5988 28.9006 177.4334 103 Q 4.1494 8.3494 121.8017 59.3102 28.8363 178.1399 104 E 4.4864 8.3139 121.1111 58.6852 29.2208 179.1682 105 K 3.8954 7.7509 118.8297 58.9032 32.2394 178.4999 106 L 4.1739 7.4902 118.2898 56.5397 43.0677 177.5608 107 E 4.3702 7.7103 121.0943 54.4457 28.1119 177.5974 108 A 4.5420 7.2922 114.9584 52.8312 20.6345 177.3940 *147 A 4.0940 8.0538 124.0177 51.6775 20.3532 174.0302 148 V 3.2623 7.9026 121.0247 61.3855 29.7726 169.2247 149 P 4.5458 0.0000 0.0000 63.2616 32.0856 176.0791 150 K 4.5907 8.9373 123.1858 55.5640 33.6870 175.9732 151 V 4.6214 9.0247 125.9582 62.1286 32.5349 175.3282 152 K 4.8388 8.9981 126.6784 54.2559 36.1815 175.2804 153 L 4.5339 8.7356 126.6074 54.9752 43.0438 175.0890 154 L 5.2091 9.1487 128.7936 53.4736 44.4412 174.8962 155 C 4.4951 9.0458 120.3404 57.4717 33.9257 172.9388 156 G 4.4968 8.2749 106.2757 44.0346 0.0000 174.7832 157 A 3.8684 8.4333 120.6221 54.7186 17.9650 178.9884 158 D 4.1804 7.8976 115.5565 57.7653 41.3407 178.4461 159 L 4.0888 7.6330 119.8536 57.6754 42.2541 178.1494 160 L 2.7965 7.1005 120.3789 58.0382 41.8809 179.0382 161 E 2.0000 7.8443 118.7004 58.3126 29.1158 178.9404 162 S 4.3535 7.4172 113.4890 60.0881 62.8033 176.0152 163 F 4.2181 7.7197 121.2215 60.0813 38.6185 176.3556 164 A 4.4983 8.3742 119.8530 52.7156 19.4921 178.0854 165 V 3.5830 7.3738 117.7134 62.6950 31.9952 173.6307 166 P 4.4489 0.0000 0.0000 64.3247 31.4188 176.4272 167 N 4.4319 9.0571 118.8415 53.5413 36.6943 175.1330 168 L 4.0756 8.0093 120.1670 56.9078 42.4130 177.0685 169 W 4.8289 7.9920 116.4128 54.2243 32.1295 175.2456 170 K 4.2112 8.7964 122.7281 56.1915 32.3326 177.7659 171 S 4.1311 9.1436 119.8565 62.2009 62.4841 176.7678 172 E 4.0678 8.1937 121.1147 58.7570 29.2573 178.8853 173 D 4.4039 8.2057 119.2788 57.4873 41.0002 178.5626 174 I 3.3271 7.7452 119.6661 64.6668 36.9454 178.2887 175 T 3.8583 7.7382 116.1182 66.9303 68.2469 176.6951 176 Q 4.0091 8.2650 119.7865 58.8409 28.6476 178.7334 177 I 4.0848 8.3599 121.2072 64.8782 37.0415 178.9748 178 V 3.7236 7.7376 111.2227 63.9437 31.4544 178.3616 179 A 3.9231 8.1115 120.3902 54.4670 18.4844 178.0110 180 N 4.5251 8.6701 112.3275 53.4917 39.4025 174.3487 181 Y 4.4033 7.7622 113.7085 57.3045 41.2779 174.1770 182 G 4.5293 7.7719 104.5727 43.3647 0.0000 172.0601 183 L 5.2219 8.7394 122.5342 53.0646 45.7773 175.2500 184 I 4.7961 9.0275 127.0189 59.8607 39.8978 173.9894 185 C 4.9301 8.8208 129.2091 57.6186 33.4425 172.4536 186 V 4.5624 8.3745 127.4212 61.8386 33.0653 174.4582 187 T 4.3581 7.9419 119.4209 61.6747 70.7608 174.3041 188 R 3.6758 8.7483 124.8967 58.5287 30.9942 178.2495 189 A 4.5001 7.6072 122.2176 50.5010 15.8047 177.6575 190 G 3.6947 7.5463 112.9819 46.5406 0.0000 172.4555 191 N 4.3764 8.0236 118.8397 56.3936 39.0596 176.5855 192 D 4.3587 8.0600 119.6654 57.4338 41.0501 178.4466 193 A 4.0282 7.7774 120.7237 55.2877 18.3360 179.6459 194 Q 4.0300 8.1390 116.5948 58.9671 28.7891 179.1166 195 K 4.1069 8.5271 121.0704 59.5539 32.1169 178.5458 196 F 4.1004 8.7152 120.0290 61.4064 39.4145 176.9837 197 I 3.9327 8.1817 119.3140 64.6274 36.7902 177.4814 198 Y 4.3371 7.9820 118.9965 61.0201 38.6412 177.6033 199 E 3.7864 8.3914 116.4634 55.8056 29.9854 176.2791 200 S 4.5064 7.4968 115.6757 55.9667 64.2983 174.0751 201 D 4.4235 8.7623 128.2378 57.5590 40.3471 178.8211 202 V 3.6262 7.6655 117.0078 66.0753 31.8573 177.4567 203 L 4.2226 7.9309 118.0510 57.7143 41.5902 179.2869 204 W 4.0491 8.8450 128.5315 60.3290 30.3945 177.8459 205 K 3.9330 8.4182 118.9286 58.9447 31.8058 177.4860 206 H 4.8293 7.6700 115.4035 55.4683 29.4136 176.7131 207 R 4.0582 7.5227 122.3195 59.4124 28.6860 178.0531 208 S 4.1270 7.8627 111.8229 59.8638 63.4051 173.7164 209 N 4.9162 8.6023 119.8333 53.3591 40.0498 173.3541 210 I 5.0058 7.8052 118.5939 60.3370 39.9633 174.7764 211 H 4.7633 9.3387 123.4131 53.9653 32.0003 172.7833 212 V 4.2209 8.3982 124.3868 61.8575 32.4978 175.0847 213 V 3.9512 8.5998 129.1860 60.8023 33.4191 174.4819 214 N 4.3269 8.4734 126.1190 53.2775 39.4258 174.3818 215 E 4.3816 8.3270 127.0739 54.4967 27.5056 175.6059 216 W 4.5410 8.2085 123.8555 58.8779 30.0782 177.4490 217 I 4.1630 7.5273 120.1634 58.7920 35.0548 173.8693 218 A 3.9970 8.0175 122.9827 52.5308 18.8222 177.2152 219 N 5.1041 8.6920 119.9328 51.6991 40.5324 175.0515 220 D 4.7073 8.2738 119.6947 52.9823 41.6042 175.9459 221 I 4.1397 7.3801 120.9363 59.8486 36.5098 176.2056 222 S 4.3136 7.9114 119.8234 57.7113 65.2898 175.1676 223 S 4.0500 8.5712 120.5165 62.1139 62.5894 176.8917 224 T 3.8137 7.9199 117.8267 66.9607 68.2087 176.5398 225 K 3.9573 8.1726 119.8338 59.1226 31.9536 179.7074 226 I 3.6250 7.3846 120.0601 64.4366 37.0301 178.5288 227 R 3.6609 7.9992 119.2330 59.0340 29.8464 179.0332 228 R 3.8283 8.1584 118.3450 59.4827 30.1243 178.2734 229 A 4.2756 8.3192 122.0562 54.5217 18.2522 179.5590 230 L 3.9043 8.3455 117.6519 58.1594 41.5511 179.7475 231 R 3.9810 8.3734 116.8055 59.4628 30.1471 178.4954 232 R 4.3303 7.8970 114.3323 55.6224 30.2464 176.7007 233 G 3.8862 8.1205 107.1567 46.6902 0.0000 173.9638 234 Q 4.4987 8.3353 118.1999 53.6647 30.3877 175.5255 235 S 4.2353 8.5366 116.0054 58.5919 63.0478 173.9246 236 I 4.3202 8.1947 119.2528 60.1765 38.0420 175.1314 237 R 3.7302 7.4018 121.4707 58.6040 30.0265 175.8661 238 Y 3.8677 8.3005 120.1732 58.6075 35.4357 169.7143 239 L 4.6443 7.9786 121.2649 54.8304 43.7912 176.5794 240 V 5.0598 7.2624 108.5967 56.8798 35.4906 173.7741 241 P 4.4786 0.0000 0.0000 62.2234 33.0556 177.2841 242 D 4.3931 8.7028 122.5167 57.7972 40.7903 179.7981 243 L 4.1704 7.9192 118.6103 57.7520 41.6776 179.6040 244 V 3.6194 7.7320 117.6305 66.2087 31.4413 177.6787 245 Q 4.0168 8.5059 119.5146 59.0973 28.8524 177.9464 246 E 4.1176 8.2222 119.3602 58.7063 29.7326 178.1926 247 Y 4.1162 8.3844 120.3248 60.5853 38.8426 177.8802 248 I 3.7311 8.1362 120.8684 64.4726 37.0408 178.1833 249 E 3.9673 7.6759 118.2013 59.2608 29.3138 179.1705 250 K 4.0141 7.6993 118.5024 59.2370 32.3519 177.7983 251 H 4.5535 7.4565 113.0719 54.2892 29.9098 175.1890 252 N 4.0951 7.7192 117.1231 54.3519 36.4562 174.7699 253 L 3.7715 7.7106 119.7432 57.1870 42.4393 177.9571 254 Y 4.6331 7.6968 115.0606 56.2598 39.8647 175.4492 255 S 4.6586 8.9963 118.7633 56.1509 67.4423 175.3410 256 S 4.0856 8.5798 117.1002 62.1374 62.8187 176.0577 257 E 4.0166 8.3499 120.5627 60.0536 29.1397 179.5278 258 S 4.1115 8.0551 113.1534 61.7304 62.7656 176.0386 259 E 3.9517 8.0784 121.7672 59.0752 29.5680 178.0410 260 D 4.5138 8.1987 117.6872 54.6118 41.2895 176.5470 261 R 4.0239 7.5205 119.6776 58.0818 30.6163 176.7970 262 N 4.1800 9.0600 116.8380 53.4687 36.2332 173.6671 263 A 3.9047 8.1666 122.3395 53.9631 18.5026 178.8279 264 G 3.8569 8.8420 110.6077 45.5661 0.0000 173.0751 265 V 4.0673 7.7837 120.0660 61.0494 32.5276 175.6753 266 I 3.7651 8.0785 128.2734 60.4944 37.8362 175.6441 267 L 3.5729 8.4472 126.3189 55.4345 42.5809 177.0813 268 A 3.9032 8.1599 128.5846 55.1516 18.2091 178.1799 269 P 3.8168 0.0000 0.0000 65.3639 31.0364 178.9204 270 L 3.8765 7.3501 117.0401 57.7207 41.8553 179.1099 271 Q 4.0776 7.8267 117.4645 59.0434 28.4918 178.7496 272 R 3.9492 7.6240 118.1544 59.3379 30.1061 177.2625 273 N 4.9568 7.7323 113.6442 53.3798 38.7220 175.7411 274 T 4.6672 7.6727 114.1568 63.1005 70.8067 173.9475 275 A 4.1602 7.9003 130.2719 52.7273 19.0753 176.9504 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 5 E 8.44 4.30 0.00 2.06 1.17 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 2.16 2.32 0.00 6 K 8.76 4.05 0.00 1.73 1.77 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.49 7.81 7 T 9.08 4.48 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 8 E 8.83 4.91 0.00 1.97 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 2.43 2.33 0.00 9 V 8.88 5.03 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 0.73 0.00 0.00 0.99 0.00 0.00 10 V 8.95 4.81 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 1.15 0.00 0.00 1.00 0.00 0.00 11 L 9.11 4.86 0.00 2.03 1.73 1.24 0.31 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 12 L 9.00 5.11 0.00 1.76 1.54 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 A 9.51 5.21 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 14 C 8.75 4.89 0.00 2.98 2.94 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 15 G 8.39 3.63 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 0.00 0.00 0.00 16 S 8.58 4.19 0.00 3.81 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 6.93 3.44 0.00 3.28 3.03 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 0.00 0.00 0.00 0.00 18 N 7.55 5.27 0.00 2.71 2.75 0.00 0.00 7.24 7.69 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 19 P 0.00 5.13 0.00 2.32 2.29 0.00 3.20 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 1.89 1.77 0.00 20 I 8.10 4.19 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.10 0.96 0.00 0.00 21 T 8.52 4.86 4.43 0.00 0.00 0.00 0.00 0.00 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 22 N 9.08 4.26 0.00 2.77 2.99 0.00 0.00 7.06 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 23 M 7.80 4.08 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 24 H 8.19 4.31 0.00 3.46 3.71 0.00 5.72 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 25 L 8.05 4.30 0.00 1.91 1.76 0.94 0.78 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 26 R 8.51 3.98 0.00 2.14 2.15 0.00 3.25 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 27 L 8.10 3.90 0.00 2.06 1.54 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.29 4.16 0.00 3.35 3.03 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 0.00 0.00 0.00 0.00 29 E 8.74 4.32 0.00 2.27 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 2.80 2.53 0.00 30 L 8.36 4.03 0.00 1.97 1.73 0.92 1.31 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 31 A 8.10 4.01 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 32 K 8.83 3.86 0.00 1.50 1.85 0.00 0.61 0.00 0.00 0.68 0.00 0.00 2.48 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.11 1.02 7.81 33 D 8.45 4.38 0.00 3.01 2.76 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 34 Y 8.09 3.96 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 8.45 4.03 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.97 0.00 36 N 7.75 4.84 0.00 2.80 2.82 0.00 0.00 6.43 6.86 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 37 G 7.90 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.42 3.89 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 0.86 0.00 0.00 39 G 8.20 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.74 4.45 0.00 1.44 1.90 0.00 2.38 0.00 0.00 3.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.00 41 Y 7.64 5.40 0.00 3.10 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 42 T 8.99 4.80 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 1.20 0.00 0.00 43 V 8.88 4.34 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 0.74 0.00 0.00 0.93 0.00 0.00 44 V 8.50 4.30 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 0.83 0.00 0.00 1.05 0.00 0.00 45 K 7.52 4.75 0.00 1.90 1.69 0.00 1.66 0.00 0.00 2.10 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.32 7.81 46 G 8.88 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 47 I 9.18 4.94 1.84 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 1.15 0.94 0.79 0.00 0.00 48 I 8.53 4.32 1.49 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.06 -0.02 0.00 0.00 49 S 8.73 5.08 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 50 P 0.00 5.02 0.00 2.01 2.08 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 51 V 8.37 3.97 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 0.61 0.00 0.00 0.72 0.00 0.00 52 G 8.58 3.85 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 0.00 53 D 8.72 4.51 0.00 2.76 2.78 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 54 A 7.95 4.34 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.53 4.11 0.00 3.25 3.03 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 0.00 0.00 0.00 0.00 56 K 7.84 4.18 0.00 1.71 1.77 0.00 1.79 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.39 7.81 57 K 7.75 3.79 0.00 1.61 1.81 0.00 2.08 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.36 7.81 58 K 8.50 4.20 0.00 1.70 1.68 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.58 7.81 59 G 9.07 3.85 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 0.00 60 L 7.82 4.04 0.00 1.84 1.73 1.02 1.00 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 61 I 8.26 4.01 1.66 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.63 0.59 0.00 0.00 62 P 0.00 4.52 0.00 1.77 2.08 0.00 3.47 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 2.08 2.11 0.00 63 A 9.45 4.06 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 64 Y 8.18 4.16 0.00 3.18 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 65 H 7.20 4.28 0.00 3.13 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 66 R 7.85 4.02 0.00 2.04 2.06 0.00 3.58 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 67 V 8.49 3.54 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.93 0.00 0.00 68 I 7.89 3.59 1.70 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 1.47 0.60 0.29 0.00 0.00 69 M 7.94 3.77 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 70 A 8.09 3.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.03 3.91 0.00 2.05 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 2.23 2.28 0.00 72 L 7.86 3.93 0.00 1.66 1.67 0.66 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.81 4.14 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 74 T 7.29 4.21 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 75 K 7.63 3.72 0.00 1.83 1.99 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.42 7.81 76 N 7.95 4.70 0.00 2.74 2.83 0.00 0.00 6.81 7.57 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 77 S 7.84 4.52 0.00 3.64 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 78 K 8.62 4.45 0.00 1.90 1.90 0.00 1.98 0.00 0.00 2.04 0.00 0.00 3.26 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.55 7.81 79 W 7.72 5.27 0.00 3.43 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 80 V 7.18 4.20 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 -0.49 0.00 0.00 -1.29 0.00 0.00 81 E 8.67 4.57 0.00 1.88 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 2.22 2.14 0.00 82 V 8.07 4.50 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 0.71 0.00 0.00 0.75 0.00 0.00 83 D 8.70 5.13 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.36 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 1.21 0.00 0.00 85 W 8.79 4.18 0.00 3.45 3.42 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 86 E 8.49 3.31 0.00 2.22 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 2.23 2.19 0.00 87 S 7.39 4.15 0.00 4.01 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 88 L 7.17 4.26 0.00 1.64 1.63 0.92 0.91 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 89 Q 6.89 3.99 0.00 1.73 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 90 K 8.34 4.10 0.00 1.70 1.83 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.42 7.81 91 E 7.73 4.43 0.00 1.89 1.88 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 2.25 2.23 0.00 92 W 8.83 4.17 0.00 3.36 3.24 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 93 K 7.01 3.89 0.00 1.22 1.27 0.00 1.49 0.00 0.00 1.43 0.00 0.00 3.12 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.14 1.33 7.81 94 E 7.72 3.20 0.00 1.95 1.79 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 2.49 2.47 0.00 95 T 8.59 3.82 4.52 0.00 0.00 0.00 0.00 0.00 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 96 L 7.99 3.96 0.00 1.86 1.73 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.15 3.97 0.00 2.03 1.93 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.45 7.81 98 V 7.80 3.84 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 1.28 0.00 0.00 1.15 0.00 0.00 99 L 7.85 3.79 0.00 1.40 0.55 0.68 0.47 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 0.00 100 R 7.76 4.32 0.00 1.95 2.06 0.00 3.18 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 101 H 8.31 3.69 0.00 2.40 2.79 0.00 5.84 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 0.00 102 H 7.58 3.92 0.00 3.16 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.35 4.15 0.00 2.39 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 104 E 8.31 4.49 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 2.31 2.28 0.00 105 K 7.75 3.90 0.00 1.41 1.85 0.00 1.61 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.38 7.81 106 L 7.49 4.17 0.00 1.89 1.72 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.71 4.37 0.00 1.95 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 2.29 2.44 0.00 108 A 7.29 4.54 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 *147 A 8.05 4.09 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 0.00 148 V 7.90 3.26 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 0.80 0.00 0.00 0.93 0.00 0.00 149 P 0.00 4.55 0.00 2.01 2.04 0.00 3.74 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 2.06 2.34 0.00 150 K 8.94 4.59 0.00 1.79 1.80 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 151 V 9.02 4.62 2.25 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 0.78 0.00 0.00 1.04 0.00 0.00 152 K 9.00 4.84 0.00 1.68 1.67 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.45 7.81 153 L 8.74 4.53 0.00 1.83 1.58 1.04 0.50 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 0.00 154 L 9.15 5.21 0.00 1.60 1.30 -0.02 0.79 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 0.00 155 C 9.05 4.50 0.00 2.88 2.94 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 0.00 156 G 8.27 4.50 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 0.00 0.00 0.00 157 A 8.43 3.87 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 0.00 158 D 7.90 4.18 0.00 2.56 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.63 4.09 0.00 1.72 1.50 1.08 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.10 2.80 0.00 1.34 1.38 0.57 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 161 E 7.84 2.00 0.00 1.67 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 0.00 1.47 1.47 0.00 162 S 7.42 4.35 0.00 4.20 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 0.00 163 F 7.72 4.22 0.00 3.21 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 0.00 164 A 8.37 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 165 V 7.37 3.58 2.34 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 1.01 0.00 0.00 1.06 0.00 0.00 166 P 0.00 4.45 0.00 2.10 2.03 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 167 N 9.06 4.43 0.00 2.89 2.98 0.00 0.00 7.08 7.85 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 0.00 168 L 8.01 4.08 0.00 1.73 2.03 0.81 1.22 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 0.00 169 W 7.99 4.83 0.00 3.21 3.04 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 0.00 170 K 8.80 4.21 0.00 1.92 1.96 0.00 1.76 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.59 1.51 7.81 171 S 9.14 4.13 0.00 4.05 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.19 4.07 0.00 2.12 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 0.00 2.43 2.48 0.00 173 D 8.21 4.40 0.00 3.15 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 0.00 174 I 7.75 3.33 1.78 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.46 0.43 0.00 0.00 175 T 7.74 3.86 4.38 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 1.23 0.00 0.00 176 Q 8.26 4.01 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 177 I 8.36 4.08 2.06 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.93 1.05 0.00 0.00 178 V 7.74 3.72 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 0.85 0.00 0.00 1.01 0.00 0.00 179 A 8.11 3.92 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 0.00 180 N 8.67 4.53 0.00 2.48 2.38 0.00 0.00 6.87 5.12 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 0.00 181 Y 7.76 4.40 0.00 3.26 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 0.00 182 G 7.77 4.53 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 0.00 0.00 0.00 183 L 8.74 5.22 0.00 1.75 1.47 0.88 1.01 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 0.00 184 I 9.03 4.80 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.67 0.80 0.00 0.00 185 C 8.82 4.93 0.00 2.83 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 0.00 186 V 8.37 4.56 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 0.77 0.00 0.00 0.81 0.00 0.00 187 T 7.94 4.36 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 1.10 0.00 0.00 188 R 8.75 3.68 0.00 1.77 1.90 0.00 3.36 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 189 A 7.61 4.50 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 0.00 190 G 7.55 3.69 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 0.00 0.00 0.00 191 N 8.02 4.38 0.00 2.78 2.83 0.00 0.00 7.22 8.49 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 0.00 192 D 8.06 4.36 0.00 2.93 2.70 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 0.00 193 A 7.78 4.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Q 8.14 4.03 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 195 K 8.53 4.11 0.00 1.96 2.07 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.25 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.58 7.81 196 F 8.72 4.10 0.00 3.11 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 0.00 197 I 8.18 3.93 2.19 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 1.54 0.82 1.06 0.00 0.00 198 Y 7.98 4.34 0.00 3.02 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 E 8.39 3.79 0.00 1.67 1.74 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 2.24 2.59 0.00 200 S 7.50 4.51 0.00 3.44 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 0.00 201 D 8.76 4.42 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 V 7.67 3.63 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 0.91 0.00 0.00 0.94 0.00 0.00 203 L 7.93 4.22 0.00 1.80 1.83 1.24 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 204 W 8.85 4.05 0.00 3.55 3.23 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 0.00 205 K 8.42 3.93 0.00 1.96 1.89 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.46 7.81 206 H 7.67 4.83 0.00 3.15 3.24 0.00 5.69 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 R 7.52 4.06 0.00 1.91 2.04 0.00 2.40 0.00 0.00 2.49 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.45 0.00 208 S 7.86 4.13 0.00 3.97 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 0.00 209 N 8.60 4.92 0.00 2.77 2.95 0.00 0.00 6.86 8.02 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 0.00 210 I 7.81 5.01 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.00 0.90 0.00 0.00 211 H 9.34 4.76 0.00 2.87 2.96 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 V 8.40 4.22 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 0.69 0.00 0.00 0.89 0.00 0.00 213 V 8.60 3.95 1.81 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 0.79 0.00 0.00 0.05 0.00 0.00 214 N 8.47 4.33 0.00 2.27 1.42 0.00 0.00 6.69 7.66 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 0.00 215 E 8.33 4.38 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 216 W 8.21 4.54 0.00 3.39 3.21 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 0.00 217 I 7.53 4.16 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.96 0.00 0.00 218 A 8.02 4.00 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 0.00 219 N 8.69 5.10 0.00 2.72 2.76 0.00 0.00 6.81 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 D 8.27 4.71 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 4.14 1.85 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 1.48 0.49 0.91 0.00 0.00 222 S 7.91 4.31 0.00 4.00 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 0.00 223 S 8.57 4.05 0.00 3.84 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 0.00 224 T 7.92 3.81 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 1.18 0.00 0.00 225 K 8.17 3.96 0.00 1.89 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.45 7.81 226 I 7.38 3.63 1.89 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 1.69 0.75 0.80 0.00 0.00 227 R 8.00 3.66 0.00 1.70 1.87 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.55 0.00 228 R 8.16 3.83 0.00 1.91 2.08 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 229 A 8.32 4.28 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 0.00 230 L 8.35 3.90 0.00 1.91 1.80 0.95 0.97 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 0.00 231 R 8.37 3.98 0.00 1.93 2.03 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 232 R 7.90 4.33 0.00 1.99 1.96 0.00 3.27 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 233 G 8.12 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 0.00 234 Q 8.34 4.50 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 235 S 8.54 4.24 0.00 3.84 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 I 8.19 4.32 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.90 0.00 0.00 237 R 7.40 3.73 0.00 1.59 1.67 0.00 3.02 0.00 0.00 2.93 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 238 Y 8.30 3.87 0.00 3.21 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 0.00 239 L 7.98 4.64 0.00 1.91 1.69 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 240 V 7.26 5.06 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 1.07 0.00 0.00 0.97 0.00 0.00 241 P 0.00 4.48 0.00 2.16 1.97 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 242 D 8.70 4.39 0.00 2.76 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 L 7.92 4.17 0.00 1.69 1.73 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 244 V 7.73 3.62 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 1.11 0.00 0.00 0.97 0.00 0.00 245 Q 8.51 4.02 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 246 E 8.22 4.12 0.00 2.32 2.00 0.00 0.00 0.00 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 2.31 0.00 247 Y 8.38 4.12 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 I 8.14 3.73 1.97 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 1.78 1.18 1.05 0.00 0.00 249 E 7.68 3.97 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 250 K 7.70 4.01 0.00 1.74 1.63 0.00 1.70 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.12 1.34 7.81 251 H 7.46 4.55 0.00 2.81 3.08 0.00 5.83 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 N 7.72 4.10 0.00 2.73 2.82 0.00 0.00 6.91 8.76 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 0.00 253 L 7.71 3.77 0.00 1.42 0.99 0.90 0.37 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 0.00 254 Y 7.70 4.63 0.00 2.96 2.88 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 0.00 255 S 9.00 4.66 0.00 3.96 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 0.00 256 S 8.58 4.09 0.00 3.87 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 0.00 257 E 8.35 4.02 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 258 S 8.06 4.11 0.00 4.00 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 0.00 259 E 8.08 3.95 0.00 2.18 2.16 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 2.34 2.42 0.00 260 D 8.20 4.51 0.00 2.96 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 0.00 261 R 7.52 4.02 0.00 1.87 1.88 0.00 3.21 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 262 N 9.06 4.18 0.00 2.89 2.99 0.00 0.00 7.00 7.08 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 0.00 263 A 8.17 3.90 1.24 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 0.00 0.00 264 G 8.84 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 0.00 265 V 7.78 4.07 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 0.74 0.00 0.00 0.89 0.00 0.00 266 I 8.08 3.77 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.82 0.00 0.00 267 L 8.45 3.57 0.00 1.38 1.22 -0.08 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 268 A 8.16 3.90 1.01 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 0.00 269 P 0.00 3.82 0.00 1.76 1.58 0.00 3.01 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.00 270 L 7.35 3.88 0.00 1.64 1.63 0.81 0.73 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 0.00 271 Q 7.83 4.08 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 272 R 7.62 3.95 0.00 1.98 2.12 0.00 3.44 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 273 N 7.73 4.96 0.00 2.82 2.82 0.00 0.00 6.84 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 274 T 7.67 4.67 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 1.20 0.00 0.00 275 A 7.90 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 * Residues marked with a * may have inaccurate shift predictions.