NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 3.5337 8.1933 116.6085 57.6827 64.9399 172.6710 2 L 4.5428 8.8182 122.8489 54.6128 42.2996 174.9102 3 A 4.7758 9.9137 124.2408 50.9420 23.6043 174.9765 4 V 5.0550 8.2922 111.6966 59.6124 35.3213 175.7145 5 D 4.6252 8.9878 119.7196 54.1124 40.0536 176.1329 6 Q 4.6132 7.6264 117.9783 54.3565 31.7402 175.4239 7 T 4.3993 8.1540 108.3653 62.1760 69.6562 174.4553 8 R 4.9235 7.0638 116.9688 55.6444 32.4465 173.7394 9 Y 4.8151 9.2240 117.3543 56.3350 42.3035 174.5275 10 I 5.0096 8.5026 122.9365 59.6347 39.4406 174.9315 11 F 4.3885 9.7453 131.4516 57.4182 40.5193 174.8085 12 R 4.4751 8.4060 125.9691 55.4785 31.0974 178.0686 13 G 3.8789 8.9815 112.4349 46.9470 0.0000 173.8250 14 D 4.8501 7.9970 118.1806 52.7445 39.7794 175.9329 15 K 4.6333 7.9246 120.5486 55.8033 35.0133 176.5186 16 D 4.7827 8.4391 117.7964 53.6879 40.4072 176.7718 17 A 4.8587 6.9209 117.1518 52.1977 22.3000 175.2670 18 L 4.4754 8.6169 121.0788 53.4569 45.1269 175.2212 19 T 5.0892 8.4936 122.5796 61.7578 70.6580 173.6954 20 I 4.5934 8.5843 118.9333 59.3042 41.5371 174.1932 21 T 4.8524 8.4170 119.8517 61.9800 70.3744 173.8601 22 V 4.5244 8.7768 127.8580 61.8175 33.3274 174.8572 23 T 5.0748 9.2283 117.4965 59.9240 72.6133 172.4383 24 N 5.2175 8.5062 121.4750 52.1359 40.1735 174.4748 25 N 4.7173 8.8830 124.1642 53.2384 38.3080 174.8732 26 D 4.5703 8.5009 124.0641 55.0179 41.9615 177.7781 *27 K 4.2927 8.8894 126.1858 55.7677 32.4460 174.9640 28 E 4.6580 8.4966 114.2346 57.1662 32.1022 176.1366 29 R 4.7902 8.3123 116.4023 54.5195 32.4804 176.4019 30 T 4.5884 8.4579 119.4420 63.2645 70.3446 173.4856 31 F 4.7945 9.0221 124.0532 55.5078 42.1816 175.7012 32 G 4.0637 9.0029 111.1710 46.2874 0.0000 172.3382 33 G 4.5990 8.2997 105.9491 44.6451 0.0000 171.9525 34 Q 5.4272 8.5961 120.9937 54.1688 33.0154 173.5823 35 A 5.9400 9.6376 126.0903 49.3625 22.4499 175.1131 36 W 5.1213 8.2467 116.7538 55.7999 31.8820 173.0339 37 V 4.8945 8.6480 119.9050 61.3016 33.4314 174.0803 38 D 5.2420 9.3254 128.0631 52.6696 42.8701 176.2397 39 N 5.2204 9.1311 120.2917 53.8503 39.5067 174.2476 40 I 4.3638 7.6184 121.1986 63.1582 39.0228 177.7916 41 V 3.9033 7.4883 111.1028 63.3528 32.0757 177.1096 42 E 4.0806 8.1437 121.4168 56.7780 29.9222 177.7125 *43 K 4.1054 8.9150 125.5629 57.7059 32.1531 174.3197 44 D 4.4859 7.7534 117.6499 53.9852 41.8857 176.5837 45 T 4.2645 8.2573 113.0983 61.9114 69.7019 174.9285 46 R 3.8665 8.1762 123.7285 55.9295 30.2454 174.3046 47 P 4.4490 0.0000 0.0000 63.2525 32.2121 176.4527 48 T 3.9826 8.7231 119.4280 65.5018 69.6800 174.6267 49 F 5.0913 7.9194 117.6020 55.5155 41.9771 175.4387 50 V 4.6429 8.8178 115.2601 59.6083 34.9065 174.7044 51 V 4.9060 8.5009 122.9905 61.6103 33.9509 174.9724 52 T 4.8646 8.8944 123.4730 61.1606 72.3518 172.2151 53 P 4.7962 0.0000 0.0000 62.8048 32.4073 176.2274 54 S 4.8616 8.7224 113.0721 59.3186 64.7823 173.2477 55 F 5.5714 8.2614 122.8682 56.8412 42.1371 173.2116 56 F 4.7405 7.9279 119.9353 56.1229 41.6693 172.4147 57 K 4.9300 8.6332 118.8369 54.8021 35.4110 175.7551 58 V 4.4503 9.1706 128.6979 61.6035 34.6022 175.6085 59 K 4.6675 8.6621 131.1786 53.6268 33.3086 171.1786 60 P 4.5472 0.0000 0.0000 65.1768 31.5335 177.0106 61 N 4.2266 8.7550 118.0288 52.8928 36.0455 171.7841 62 G 4.1696 8.1335 107.1779 46.7759 0.0000 172.8136 63 Q 5.2098 8.3901 117.0646 54.1905 33.1300 175.1521 64 Q 4.4968 9.1228 122.5886 54.6998 32.5686 173.7733 65 T 4.6572 8.5288 117.0521 61.1043 70.2242 173.8793 66 L 4.7715 8.9849 125.4295 52.8367 44.8402 175.1606 67 R 4.9052 8.9211 123.3575 54.6204 32.6775 174.3136 68 I 5.2074 9.2059 127.6219 59.5735 39.9275 174.7483 69 I 5.2605 8.8981 119.3739 59.2846 41.4772 173.9265 70 M 3.8550 8.7525 123.3921 54.9375 31.9645 175.2909 71 A 4.4100 8.5570 128.3510 51.9514 21.2934 176.2631 72 S 4.3293 7.5363 109.1949 56.6834 63.6665 173.8382 73 D 4.4450 8.3087 132.8690 54.4385 40.4014 175.9804 74 H 4.8421 7.3780 110.3319 55.1797 29.4143 174.3963 75 L 4.1734 7.2903 119.5579 53.9193 42.2018 175.0568 76 P 4.4260 0.0000 0.0000 62.6861 31.8060 176.7856 77 K 4.3902 8.5893 120.7514 57.0907 32.5520 176.9183 78 D 4.8962 7.7673 116.8229 52.3530 40.0987 175.2872 79 K 4.4156 7.3752 116.6852 55.7717 34.9639 175.0334 80 E 4.5073 8.5823 120.4165 56.7461 30.2069 176.4885 81 S 5.0491 9.0868 117.5158 56.8504 66.9718 173.5038 82 V 4.7395 7.6465 119.6241 60.4631 34.4275 173.8288 83 Y 4.4798 8.3145 118.3861 56.2847 43.3626 174.0288 84 W 5.1134 8.7916 121.0256 55.3727 30.8682 175.6240 85 L 4.5086 9.2923 128.8440 54.6567 43.0742 175.0244 86 N 5.1011 8.7682 124.0655 51.0979 41.3220 173.2265 87 L 5.0203 8.9365 125.9440 53.2868 45.0963 174.5585 88 Q 4.9488 9.3386 128.6211 54.1269 30.9580 174.4265 89 D 4.8773 9.0493 127.4285 55.2306 41.8913 176.6887 90 I 4.5711 9.0238 123.5857 58.6742 39.6457 173.4987 91 P 3.6953 0.0000 0.0000 60.8575 32.4533 174.5429 92 P 4.1048 0.0000 0.0000 62.1026 31.7522 176.4366 93 A 3.9631 8.4682 123.8817 52.5651 18.6973 177.7207 94 L 3.9847 8.3825 123.7918 55.3489 42.2818 178.1683 95 E 4.2500 8.6170 119.0011 55.2661 29.4067 177.3058 96 G 3.8555 8.3378 117.2880 45.2297 0.0000 172.0025 97 S 4.4529 8.5867 118.2296 57.6083 64.2821 175.2917 98 G 3.7106 7.2661 107.9211 45.7590 0.0000 172.4286 99 I 4.2717 7.8205 124.2730 59.2429 38.6625 174.7441 100 A 4.2189 8.4993 129.1398 51.4117 19.0847 176.4627 101 V 4.3825 8.3032 122.5479 60.9421 33.5027 174.8118 102 A 4.7721 8.3162 128.2260 50.3976 22.2269 174.6007 103 L 4.6380 9.2600 124.6026 53.4432 44.0715 174.9480 104 R 4.9626 8.6415 126.9728 55.1885 31.7047 175.0143 105 T 4.5595 9.1040 123.9011 61.9128 70.6721 173.6047 106 K 5.1322 8.5766 127.2020 54.4866 34.6820 174.8369 107 L 5.2467 9.1050 126.5445 54.1810 44.7973 175.2059 108 K 4.1726 8.6884 119.1933 55.9207 33.5977 175.7487 109 L 4.9612 8.5306 127.4509 53.5064 43.8076 175.0309 110 F 4.9264 9.4229 126.5734 56.8011 40.6604 174.2608 111 Y 5.0354 9.6430 125.4276 56.1755 40.7168 174.1863 112 R 4.5239 8.3203 127.9742 53.5628 31.9514 173.3255 113 P 4.5513 0.0000 0.0000 62.1671 32.4760 177.7323 114 K 3.7754 9.0162 120.1395 59.8937 31.9852 179.2082 115 A 4.1184 8.0267 118.9133 54.1499 18.7026 177.6807 116 L 4.7040 8.0190 114.9338 54.3631 42.4852 178.4317 117 L 4.1098 8.1625 122.5343 57.7574 41.6138 178.5252 118 E 4.4447 8.2077 112.4592 56.0607 30.5575 180.5383 119 G 4.2441 7.4739 104.3562 45.9890 0.0000 175.1733 120 R 2.7438 8.0874 124.8941 58.7422 30.3577 177.4501 121 K 3.8973 7.7755 118.9269 55.8290 31.9712 178.1557 122 G 2.2306 8.0803 111.1400 44.9937 0.0000 175.1408 123 A 3.9347 7.2545 123.2924 54.1457 18.1807 180.1764 124 E 3.2834 7.2071 116.8561 59.0982 29.3417 178.7603 125 E 4.7097 7.5337 119.5714 57.7407 29.2675 178.2997 126 G 3.9386 7.6823 104.1910 44.0749 0.0000 174.0641 127 I 4.0052 7.3385 122.9561 61.9647 38.4374 175.2016 128 S 5.2130 8.8551 121.4920 56.8034 65.8629 173.0682 129 L 4.9423 8.6321 125.7832 53.9547 42.7334 175.4767 130 Q 4.7701 9.1187 128.6010 54.2593 32.1725 175.8091 131 S 4.1304 8.8507 122.6312 60.5897 62.8514 175.3116 *137 T 4.2310 8.3170 120.4142 60.6797 69.3596 168.5092 138 M 5.0295 9.0496 126.8160 53.1714 35.2512 174.6472 139 L 4.9996 9.3751 126.1228 53.8268 43.9610 175.0648 140 V 4.8089 8.8197 127.1750 61.2331 34.3707 174.5678 141 N 4.8926 8.7448 127.9598 52.3092 38.0020 174.9987 142 T 4.4746 7.7635 121.7022 61.0854 69.4862 174.6263 143 T 4.7685 7.6347 109.9969 60.3465 72.4887 171.9884 144 P 4.3145 0.0000 0.0000 63.2608 31.7895 174.8252 145 Y 4.8156 7.1305 116.5304 56.4984 40.2431 175.0678 146 I 4.1799 8.6405 123.5372 60.2563 38.4903 175.4991 147 F 5.3195 8.8423 125.1652 55.8340 42.6394 174.8737 148 A 5.1372 8.7932 121.9000 50.6052 21.0122 174.5888 149 I 4.6438 8.9072 122.7715 61.4154 38.8187 174.0940 150 G 3.8433 9.2448 116.9906 47.3828 0.0000 177.0280 151 S 4.5477 9.3368 118.4467 58.2626 64.9858 172.9222 152 L 4.9372 8.3970 122.7271 53.4216 43.6663 175.4026 153 L 5.2931 8.9037 123.5844 53.1226 45.1082 176.3833 154 D 4.8983 8.1553 122.6449 51.3036 41.5790 176.6563 155 G 3.8413 8.9038 107.0410 48.7523 0.0000 173.9940 *157 G 3.7168 7.8893 110.4606 45.6756 0.0000 174.1073 *158 K 4.1265 8.1524 122.8087 54.3980 32.7084 178.9803 *159 K 4.5346 8.4187 126.0852 54.7943 32.3095 175.9734 160 I 4.2619 8.8502 127.2679 59.3304 38.0723 175.9557 161 A 4.3721 8.6146 128.9894 52.0113 19.1018 176.8743 162 T 4.5896 8.2369 110.8465 58.9434 71.9135 174.2867 163 D 4.6637 8.5980 126.3536 53.4128 41.7542 177.6259 *164 N 4.3262 8.8430 121.2281 58.0306 37.4321 178.3768 165 G 3.8180 8.0884 107.5742 47.8983 0.0000 175.7915 166 T 3.8783 9.1745 119.2066 66.5432 68.2443 176.7621 167 T 3.8390 7.9890 116.9254 66.9091 68.6716 176.0485 168 Q 4.1448 8.2836 121.2551 59.1240 29.1259 178.2591 169 K 4.0597 8.1323 119.6110 59.4304 32.0779 179.2702 170 L 3.8955 8.1723 119.1470 57.1409 41.2977 178.9626 171 L 4.5209 7.6135 117.7805 56.2725 42.7669 176.5500 172 M 4.8845 7.6318 117.0300 54.2420 31.6199 177.9589 173 F 4.9579 8.8402 122.6988 58.0562 39.9562 175.1893 174 M 4.5295 9.6807 125.7576 53.2775 33.7640 174.1880 175 P 4.2339 0.0000 0.0000 64.7849 31.6904 176.8429 176 G 3.9206 9.0090 112.9832 45.0779 0.0000 173.3023 177 D 4.6489 7.9745 119.7960 54.6576 42.3489 175.3840 178 E 5.1338 8.6303 120.9749 55.2412 32.3758 174.3337 179 V 4.6017 9.1772 126.7594 61.0698 35.4372 173.7190 180 Q 4.8468 8.6157 126.7033 54.8288 29.7751 174.5402 181 V 4.1172 8.5594 125.1028 60.5096 35.9281 178.2308 *184 N 4.5287 8.3331 117.0620 53.1219 38.7749 172.3325 185 V 4.0236 7.4859 120.1066 63.0370 33.2073 174.9946 186 V 4.3306 9.3294 126.4670 63.5840 34.1225 175.1846 187 K 5.2733 7.9264 117.2684 54.6116 36.7961 175.6702 188 V 4.9067 8.7112 113.9675 59.7672 36.1353 174.1558 189 D 5.2524 8.9061 123.9045 53.1430 42.7448 175.2002 190 S 5.1992 9.3008 120.0149 56.6116 66.6220 172.3060 191 L 4.9919 8.4591 125.6295 53.9390 42.6937 177.0754 192 N 4.7426 9.0044 122.2157 51.7046 39.3066 175.2621 193 D 4.2597 8.5686 116.9191 57.2275 40.7907 177.0612 *194 Y 4.2830 8.3765 115.3068 57.1227 37.8327 176.2499 195 G 3.9112 8.1273 107.4944 46.0755 0.0000 173.4015 196 E 4.5075 8.0473 118.9150 54.9251 31.4403 175.3374 197 L 4.8136 8.4193 123.9975 54.5563 42.5670 176.2810 198 Q 4.5914 9.2370 122.5512 54.1752 33.4731 174.0653 199 T 4.8548 7.9193 111.6575 60.1485 70.6495 173.9374 200 W 4.8784 9.1350 124.8817 54.9589 33.1737 174.6896 201 T 4.6749 8.6634 121.2984 63.3793 69.0605 174.6869 202 I 4.3498 8.2917 120.9265 60.0668 39.5754 174.8654 203 N 4.2903 8.7024 117.4675 54.7084 37.6863 174.9550 204 K 4.2572 8.2959 117.4403 57.0398 32.9501 177.2436 205 K 4.5259 7.5326 115.7395 53.7107 34.4182 175.7419 206 K 3.9623 8.4156 121.6049 56.0952 32.3968 174.8933 207 P 4.8479 0.0000 0.0000 62.4243 31.2050 176.1475 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.19 3.53 0.00 3.60 3.67 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 2 L 8.82 4.54 0.00 1.57 1.69 1.12 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.91 4.78 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.29 5.06 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.12 0.00 0.00 5 D 8.99 4.63 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 7.63 4.61 0.00 1.30 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 7 T 8.15 4.40 4.28 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 1.22 0.00 0.00 8 R 7.06 4.92 0.00 2.21 2.04 0.00 3.15 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 9 Y 9.22 4.82 0.00 2.91 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 10 I 8.50 5.01 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.55 0.94 0.00 0.00 11 F 9.75 4.39 0.00 3.06 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 12 R 8.41 4.48 0.00 1.73 1.95 0.00 3.14 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 13 G 8.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.00 4.85 0.00 2.80 2.77 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 15 K 7.92 4.63 0.00 1.56 1.67 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.29 1.36 7.81 16 D 8.44 4.78 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.92 4.86 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 18 L 8.62 4.48 0.00 1.19 1.40 0.96 1.10 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 T 8.49 5.09 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 1.20 0.00 0.00 20 I 8.58 4.59 1.39 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.67 0.05 0.00 0.00 21 T 8.42 4.85 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 1.19 0.00 0.00 22 V 8.78 4.52 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 1.14 0.00 0.00 0.88 0.00 0.00 23 T 9.23 5.07 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 1.22 0.00 0.00 24 N 8.51 5.22 0.00 2.90 2.92 0.00 0.00 7.25 7.52 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 25 N 8.88 4.72 0.00 2.70 2.87 0.00 0.00 6.99 8.68 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 26 D 8.50 4.57 0.00 2.83 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 *27 K 8.89 4.29 0.00 1.82 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.02 7.81 28 E 8.50 4.66 0.00 2.20 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 2.19 1.85 0.00 29 R 8.31 4.79 0.00 1.89 1.82 0.00 3.35 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 30 T 8.46 4.59 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 1.26 0.00 0.00 31 F 9.02 4.79 0.00 2.97 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 32 G 9.00 4.06 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 0.00 33 G 8.30 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.60 5.43 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 35 A 9.64 5.94 1.43 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.64 5.04 0.00 3.31 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.32 4.52 0.00 1.87 1.69 0.00 3.16 0.00 0.00 3.44 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 113 P 0.00 4.55 0.00 2.28 2.07 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 114 K 9.02 3.78 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.63 7.81 115 A 8.03 4.12 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 0.00 116 L 8.02 4.70 0.00 1.71 1.61 0.53 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.16 4.11 0.00 1.65 1.73 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.21 4.44 0.00 1.98 1.85 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 2.16 1.86 0.00 119 G 7.47 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 0.00 0.00 0.00 120 R 8.09 2.74 0.00 1.52 1.68 0.00 2.41 0.00 0.00 2.80 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.37 0.00 121 K 7.78 3.90 0.00 1.81 1.62 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.02 7.81 122 G 8.08 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 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.25 3.93 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 0.00 124 E 7.21 3.28 0.00 1.21 1.66 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 1.82 1.47 0.00 125 E 7.53 4.71 0.00 2.06 2.01 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 2.73 2.26 0.00 126 G 7.68 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 0.00 127 I 7.34 4.01 2.06 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 1.52 0.75 1.17 0.00 0.00 128 S 8.86 5.21 0.00 3.82 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 0.00 129 L 8.63 4.94 0.00 1.97 1.61 0.92 0.72 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 0.00 130 Q 9.12 4.77 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 131 S 8.85 4.13 0.00 3.39 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *137 T 8.32 4.23 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 0.00 138 M 9.05 5.03 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 139 L 9.38 5.00 0.00 1.75 1.57 1.00 0.35 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 0.00 140 V 8.82 4.81 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 0.89 0.00 0.00 1.07 0.00 0.00 141 N 8.74 4.89 0.00 1.44 2.10 0.00 0.00 6.55 7.51 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 0.00 142 T 7.76 4.47 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 0.00 143 T 7.63 4.77 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 144 P 0.00 4.31 0.00 1.69 2.13 0.00 3.69 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 1.24 1.75 0.00 145 Y 7.13 4.82 0.00 2.45 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 0.00 146 I 8.64 4.18 2.09 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 1.15 0.43 1.01 0.00 0.00 147 F 8.84 5.32 0.00 3.26 2.96 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 0.00 148 A 8.79 5.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.91 4.64 1.93 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 1.23 0.86 0.93 0.00 0.00 150 G 9.24 3.84 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 0.00 0.00 0.00 151 S 9.34 4.55 0.00 3.78 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 0.00 152 L 8.40 4.94 0.00 1.57 1.55 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.90 5.29 0.00 1.57 1.51 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.16 4.90 0.00 2.64 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 0.00 155 G 8.90 3.84 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 0.00 0.00 0.00 *157 G 7.89 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 K 8.15 4.13 0.00 1.70 1.70 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.00 7.81 *159 K 8.42 4.53 0.00 1.54 1.64 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.04 7.81 160 I 8.85 4.26 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.96 0.90 0.00 0.00 161 A 8.61 4.37 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 0.00 162 T 8.24 4.59 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 1.18 0.00 0.00 163 D 8.60 4.66 0.00 2.97 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 *164 N 8.84 4.33 0.00 2.75 2.91 0.00 0.00 6.47 7.43 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 0.00 165 G 8.09 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 T 9.17 3.88 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 167 T 7.99 3.84 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 1.22 0.00 0.00 168 Q 8.28 4.14 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 169 K 8.13 4.06 0.00 2.03 1.90 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.61 7.81 170 L 8.17 3.90 0.00 1.78 1.72 0.81 -0.17 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 0.00 171 L 7.61 4.52 0.00 1.84 1.83 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 172 M 7.63 4.88 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.72 0.00 173 F 8.84 4.96 0.00 3.34 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 0.00 174 M 9.68 4.53 0.00 1.84 2.17 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.95 0.00 175 P 0.00 4.23 0.00 1.89 2.04 0.00 3.52 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 176 G 9.01 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 0.00 0.00 0.00 177 D 7.97 4.65 0.00 2.51 2.79 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 0.00 178 E 8.63 5.13 0.00 1.97 1.84 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 2.26 2.37 0.00 179 V 9.18 4.60 2.01 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 0.86 0.00 0.00 0.98 0.00 0.00 180 Q 8.62 4.85 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 181 V 8.56 4.12 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 0.66 0.00 0.00 1.01 0.00 0.00 *184 N 8.33 4.53 0.00 2.67 2.79 0.00 0.00 6.27 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 0.00 185 V 7.49 4.02 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 1.00 0.00 0.00 0.93 0.00 0.00 186 V 9.33 4.33 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 0.93 0.00 0.00 0.97 0.00 0.00 187 K 7.93 5.27 0.00 1.68 1.62 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 188 V 8.71 4.91 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 0.68 0.00 0.00 0.98 0.00 0.00 189 D 8.91 5.25 0.00 2.77 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 0.00 190 S 9.30 5.20 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 8.46 4.99 0.00 1.68 1.64 0.99 1.12 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 0.00 192 N 9.00 4.74 0.00 2.94 3.09 0.00 0.00 6.60 7.96 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 0.00 193 D 8.57 4.26 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 *194 Y 8.38 4.28 0.00 2.68 2.26 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 0.00 195 G 8.13 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 0.00 196 E 8.05 4.51 0.00 2.08 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 2.34 2.48 0.00 197 L 8.42 4.81 0.00 1.52 1.76 0.92 0.97 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 0.00 198 Q 9.24 4.59 0.00 1.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 199 T 7.92 4.85 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 1.11 0.00 0.00 200 W 9.14 4.88 0.00 3.16 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 0.00 201 T 8.66 4.67 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 202 I 8.29 4.35 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 1.01 0.00 0.00 203 N 8.70 4.29 0.00 2.88 2.96 0.00 0.00 7.16 6.64 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 0.00 204 K 8.30 4.26 0.00 1.82 1.86 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.60 7.81 205 K 7.53 4.53 0.00 1.73 1.73 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.33 7.81 206 K 8.42 3.96 0.00 1.98 1.74 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.42 1.04 7.81 207 P 0.00 4.85 0.00 2.09 1.97 0.00 3.82 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.