NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3634 8.3027 118.9377 56.3655 31.9632 174.0833 3 T 4.6761 8.1132 115.1048 61.7813 68.5028 172.1149 4 Q 4.7474 10.0383 128.3577 54.2768 33.3596 173.8747 5 S 5.3086 8.1112 115.7184 57.1247 65.7365 173.4572 6 F 5.2095 9.4196 121.8722 55.6163 43.1426 174.0696 7 V 4.8249 8.9247 122.8833 60.1710 33.6777 174.8233 8 V 5.0378 9.1480 124.8966 61.0430 34.6750 173.8338 9 S 5.1169 9.1873 122.4195 56.4503 65.2152 172.6508 10 V 5.1954 8.4553 125.4055 61.1911 34.7953 173.8277 11 A 5.2210 9.3635 128.7363 50.6278 22.9258 175.7440 12 G 3.2050 8.4517 105.8953 46.3368 0.0000 171.9870 13 S 4.8183 8.1452 116.3671 58.0308 63.5387 174.2656 14 D 4.8023 8.9357 125.1535 54.6894 41.7123 175.3329 15 R 4.5045 8.1154 119.0123 55.0601 31.8194 174.5156 16 V 3.5829 8.1545 118.7808 64.4941 32.0175 176.2470 17 G 4.0224 8.8874 114.2113 45.5508 0.0000 175.3048 18 I 3.3712 7.6081 120.8593 64.3070 36.9961 178.1728 19 V 3.5776 7.6490 118.5141 66.1507 31.3050 177.2359 20 H 4.2529 8.1239 118.7483 58.8986 29.8687 176.6852 21 D 4.3185 8.4308 120.9968 57.2635 40.6313 178.5180 22 F 4.0088 8.4692 121.5343 61.5099 39.5435 177.4359 23 S 4.2248 8.6155 114.0106 60.9495 62.8079 176.1192 24 W 3.9174 8.5364 132.1656 60.1278 29.9337 177.6192 25 A 4.0954 8.0730 120.5367 55.3055 17.7369 179.6106 26 L 3.7054 7.5470 117.2436 57.7510 41.7080 179.6186 27 K 3.6803 7.9078 119.6729 59.5000 31.8266 178.3063 28 N 3.9150 7.4641 116.4821 55.3673 38.6727 175.8244 29 I 4.1674 6.6400 111.3356 59.8331 38.0213 175.4940 30 S 3.6277 7.6029 113.9313 59.8711 60.6871 171.2506 31 A 4.7106 7.8263 121.2689 51.0563 20.1205 177.4194 32 N 4.9742 8.8910 118.4810 51.2012 41.8388 174.3020 33 V 4.0949 8.3771 123.3400 63.1776 31.6050 175.4037 34 E 4.4246 9.6919 129.2282 59.0166 30.1776 176.9159 35 S 4.8131 7.8502 111.5964 57.8867 66.2959 173.3217 36 S 5.0804 8.2600 113.3427 57.8998 65.4475 173.3782 37 R 4.5909 8.4293 119.2843 54.8521 34.8569 174.0132 *39 A 4.0795 8.3504 119.8517 52.3348 20.1765 175.7978 40 C 4.9444 8.1446 120.6863 57.9240 34.7715 173.0448 41 L 4.1932 9.1747 125.0537 55.5828 45.1601 174.4294 42 G 4.0786 10.0134 112.7645 46.4710 0.0000 174.4152 43 G 3.9487 8.3667 106.5098 44.9165 0.0000 173.0520 44 D 5.3657 8.1547 119.6691 52.6388 43.8540 175.1896 45 F 5.3642 9.2311 122.5186 56.6496 42.8270 173.6364 46 A 5.2981 8.0233 126.1204 49.6691 23.1264 175.0242 *48 I 4.1255 8.0947 117.9330 61.5017 39.0039 175.5737 49 V 4.9008 8.9323 125.4186 61.2278 35.4822 173.7992 50 L 5.1292 8.8795 127.5620 53.5408 43.4339 175.5831 51 V 4.8924 9.2515 124.3554 61.2061 34.6196 174.2281 52 S 5.3558 9.1234 124.1630 57.3838 64.8268 173.0022 53 L 4.6270 8.7590 124.8994 53.9772 45.8820 174.2760 54 N 5.3276 9.0894 124.8198 51.9162 37.0838 173.3114 55 A 4.7562 8.5680 122.6095 50.2993 22.8298 177.1144 56 K 4.2884 8.7095 120.1456 58.1678 32.6451 176.4869 57 D 5.1818 7.8839 116.0128 51.2059 42.7684 175.3985 58 G 3.5998 8.4600 102.5078 44.6388 0.0000 175.6295 59 K 3.9310 7.9898 123.1816 59.1517 32.0085 179.0386 60 L 3.8760 7.6598 119.9498 58.0197 42.0976 178.6713 61 I 3.5086 7.4435 119.2540 64.4179 36.9911 177.8525 62 Q 3.9321 8.3103 120.4341 59.4453 28.8946 178.6089 63 S 4.0768 8.1497 115.8048 61.5408 62.8583 176.6005 64 A 3.9790 8.0614 123.4351 55.1832 18.0575 179.7584 65 L 3.9299 8.0661 117.5734 57.8368 41.4751 179.4561 66 E 3.9981 8.2291 117.9867 59.5296 29.4550 179.0966 67 S 4.2297 7.9427 112.1145 61.2587 62.5401 175.7636 68 A 4.2177 7.9745 122.7196 53.5501 19.8609 177.6170 69 L 4.7418 7.9746 116.5796 52.2187 41.9880 174.3836 70 P 4.5065 0.0000 0.0000 64.1255 32.1898 178.0188 71 G 3.9387 8.9951 108.7827 45.3507 0.0000 173.1337 72 F 4.7046 7.8381 117.7578 56.1852 40.9588 175.6262 73 Q 4.4821 9.1766 122.1002 55.4267 29.7388 175.0349 74 I 5.3695 8.4887 124.7075 59.4856 40.7815 175.1171 75 S 4.8868 9.1849 120.0571 56.9583 66.6316 173.0273 76 T 5.3006 8.2061 118.2075 62.0637 71.8596 173.4237 77 R 4.8798 9.0294 121.2085 54.3875 33.5480 174.2631 78 R 3.9599 8.8473 120.1755 56.9744 30.5260 175.2204 79 A 4.9391 8.3972 126.9540 49.0464 22.3572 178.2500 80 S 4.5144 8.3873 113.2003 58.3872 61.9446 176.6197 *86 H 4.4890 8.7198 117.4290 55.7965 30.0818 172.1475 87 V 4.4151 7.8342 119.0075 58.7765 34.9271 175.6552 88 S 4.2694 8.3012 116.6467 57.8147 63.3851 173.4310 89 P 4.2193 0.0000 0.0000 65.7546 31.2391 176.8524 90 D 4.9399 7.6711 115.7161 53.5645 39.9506 176.1804 91 T 4.4793 7.7506 117.9677 64.2931 69.0914 173.8911 92 R 4.6326 9.0500 123.8555 54.4252 34.7412 174.2371 93 E 4.9544 8.2018 119.8230 55.3709 32.1356 174.6911 94 Y 5.0951 9.0314 119.3325 56.3568 42.7827 174.1762 95 E 4.7540 9.3828 123.1578 55.4431 31.4303 174.8968 96 L 5.2651 9.4161 127.1902 53.4667 44.8007 174.3576 97 Y 5.1595 9.2771 127.0622 55.8255 42.7184 174.0615 98 V 4.8567 7.3250 124.4973 61.1128 35.3495 173.5378 99 E 4.9761 9.1024 128.0117 54.2375 33.6207 174.6947 100 G 4.0755 8.4126 111.6320 45.8780 0.0000 169.5957 101 P 4.4164 0.0000 0.0000 62.6006 31.6762 176.5126 102 D 4.5850 8.7316 124.9015 54.6277 41.9863 175.3787 103 S 4.5743 7.9732 116.9869 57.0111 65.6555 175.0059 104 E 3.9184 8.8517 122.2225 58.7342 29.6791 177.6937 105 G 3.9547 7.9304 105.4624 45.6043 0.0000 175.3376 106 I 2.3324 6.8080 120.5908 63.8644 36.8685 178.2643 107 V 3.4448 7.1251 118.2879 65.9979 31.3224 177.2696 108 E 3.8125 8.0309 118.2094 59.3288 29.2451 178.5863 109 A 3.9260 7.7416 120.5949 55.0130 18.5683 179.8575 110 V 3.4807 7.6672 116.9718 66.4324 31.6194 178.4976 111 T 3.9179 8.1716 109.4534 64.4183 68.5023 176.3022 112 A 3.9237 8.1917 124.1496 54.9581 18.3707 179.6325 113 V 3.4533 7.4713 116.6738 66.2162 31.5919 178.1768 114 L 3.8642 7.7279 118.0110 57.8111 41.4946 179.5498 115 A 3.9597 8.2861 120.9472 54.9650 18.1237 179.5203 116 K 3.8648 7.9948 117.2570 59.2710 32.3223 178.2404 117 K 4.2590 7.8496 116.0219 55.7220 32.2443 177.3611 118 G 3.8435 7.8423 107.0498 46.0017 0.0000 173.7323 119 A 4.5272 7.9640 121.2191 51.7154 19.2383 177.7566 120 N 4.7971 9.1837 119.4133 52.3531 40.5441 174.3374 121 I 4.3977 8.3580 124.5044 60.6324 37.7119 175.5241 122 V 4.1213 8.8509 127.8939 64.4496 32.7416 176.0074 123 E 4.8657 7.8792 117.6982 54.8182 34.1620 174.4367 124 L 5.1391 8.2707 123.2762 54.0882 45.1829 174.1180 125 E 4.9243 9.2992 124.1658 54.9791 32.6630 174.5612 126 T 4.8847 8.4505 111.4415 60.0930 72.2512 172.4994 127 E 4.8738 8.7902 119.9338 55.2061 33.5101 173.8530 128 T 5.0330 8.4154 110.2389 60.0964 71.8972 173.7345 129 L 4.6604 8.9803 123.8657 51.9428 44.2698 173.5700 130 P 4.7579 0.0000 0.0000 61.6992 30.5014 176.4576 131 A 3.9710 9.0229 126.2414 51.2317 19.0013 176.9335 132 P 4.3433 0.0000 0.0000 64.4873 31.6625 176.9646 133 F 4.9298 5.9169 110.1704 54.3300 40.0355 175.3952 134 A 4.1290 8.4267 124.3211 53.5376 18.6799 178.0495 135 G 4.1071 10.5169 108.5144 44.9687 0.0000 173.1208 136 F 4.7757 7.7856 121.1587 57.0999 43.2992 173.0304 137 T 4.9454 7.4402 121.4369 61.6834 72.6079 172.5426 138 L 4.4464 8.9698 129.1276 54.4606 43.8502 174.9113 139 F 5.2456 9.4290 128.6046 56.9216 41.7552 174.6732 140 R 4.9675 7.1641 123.1282 53.1240 35.2116 173.8147 *142 G 4.1410 8.4049 105.3076 46.7091 0.0000 172.1132 143 S 5.1934 9.3649 118.3127 56.7377 66.7690 172.2595 144 R 5.1402 8.8114 125.6153 54.8165 32.1248 175.2581 145 V 5.2055 9.0751 118.5612 59.6153 36.3444 174.3241 146 A 5.3506 9.0071 123.3324 50.5964 22.5433 175.1913 147 F 5.1581 8.4658 114.5696 55.3200 42.0814 171.9056 148 P 4.7949 0.0000 0.0000 62.3364 31.8645 177.7338 149 F 4.7690 9.0853 120.9404 59.1427 37.2773 175.9312 150 P 4.4526 0.0000 0.0000 64.6538 31.3801 177.4535 151 L 4.2765 8.3040 117.1846 55.6074 41.6597 177.8535 152 Y 4.3025 8.3525 120.9487 61.0870 38.6606 177.9094 153 Q 3.8213 8.2970 119.8724 59.1631 29.2250 177.9815 154 E 3.8733 8.0500 118.1410 59.0799 29.6221 179.2021 155 V 3.2782 7.6393 119.3027 65.6875 31.5873 177.9841 156 V 3.3706 7.4076 118.0578 66.3667 31.0488 177.9664 157 T 3.7974 7.7743 113.9183 66.6440 68.4403 176.1094 158 A 4.0902 8.0132 122.5324 55.2050 18.4384 179.7489 159 L 3.9476 8.2990 118.1144 57.7168 41.6080 179.8470 160 S 4.4492 8.0149 115.7529 60.9419 62.7597 176.8556 161 R 3.9544 7.7879 121.8722 58.9543 29.7430 179.1347 162 V 3.7829 7.6675 117.8169 65.9026 31.6032 177.6510 163 E 4.2296 8.2799 119.7835 58.7732 29.0970 179.0580 164 E 3.9900 7.9176 117.9589 59.3900 29.8797 178.1591 165 E 3.8505 8.2016 117.9834 58.2991 29.7430 177.6803 166 F 4.6667 8.0344 114.4748 55.6549 40.4890 175.4285 167 G 3.9771 8.2212 106.5329 46.8980 0.0000 173.9353 168 V 4.6705 7.6506 110.8166 59.3631 35.3644 174.8067 169 D 5.2149 9.0953 123.1867 53.3556 42.6086 175.7033 170 I 5.0385 9.1920 124.2006 59.6441 40.1236 174.6232 171 D 5.1625 9.5068 127.0488 52.3905 44.2138 175.1915 172 L 5.2952 8.6366 123.3746 53.6925 44.9157 175.1413 173 E 4.9485 9.4178 126.0220 54.0972 33.3034 175.2054 174 E 3.8402 9.0364 125.4333 56.2391 30.3106 176.5188 175 V 3.7060 8.2629 127.7173 62.4685 32.3782 176.3734 176 V 3.7210 8.2486 119.6188 61.7910 31.3783 175.9695 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 2 E 8.30 4.36 0.00 2.08 2.24 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 2.26 2.33 0.00 3 T 8.11 4.68 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 4 Q 10.04 4.75 0.00 2.02 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 5 S 8.11 5.31 0.00 3.64 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 6 F 9.42 5.21 0.00 2.92 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 7 V 8.92 4.82 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 0.81 0.00 0.00 0.97 0.00 0.00 8 V 9.15 5.04 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 1.23 0.00 0.00 1.05 0.00 0.00 9 S 9.19 5.12 0.00 3.94 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 10 V 8.46 5.20 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 1.12 0.00 0.00 1.11 0.00 0.00 11 A 9.36 5.22 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 12 G 8.45 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 0.00 0.00 0.00 13 S 8.15 4.82 0.00 3.63 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 14 D 8.94 4.80 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 4.50 0.00 1.92 1.87 0.00 3.12 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 16 V 8.15 3.58 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 0.80 0.00 0.00 0.94 0.00 0.00 17 G 8.89 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.61 3.37 1.14 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 -0.14 0.00 0.00 19 V 7.65 3.58 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 1.17 0.00 0.00 1.07 0.00 0.00 20 H 8.12 4.25 0.00 3.28 3.45 0.00 5.77 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 21 D 8.43 4.32 0.00 2.75 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 22 F 8.47 4.01 0.00 3.10 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 23 S 8.62 4.22 0.00 4.17 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.54 3.92 0.00 3.32 3.16 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 0.00 25 A 8.07 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.55 3.71 0.00 1.66 1.55 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.91 3.68 0.00 1.70 1.47 0.00 1.53 0.00 0.00 1.34 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.29 7.81 28 N 7.46 3.91 0.00 1.44 2.46 0.00 0.00 7.17 7.70 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 29 I 6.64 4.17 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.70 0.81 0.00 0.00 30 S 7.60 3.63 0.00 3.99 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 31 A 7.83 4.71 1.14 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 32 N 8.89 4.97 0.00 2.62 2.70 0.00 0.00 6.61 8.12 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 33 V 8.38 4.09 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 1.09 0.00 0.00 34 E 9.69 4.42 0.00 1.99 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 2.35 2.29 0.00 35 S 7.85 4.81 0.00 3.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.26 5.08 0.00 3.80 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 37 R 8.43 4.59 0.00 1.62 1.80 0.00 3.18 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 *39 A 8.35 4.08 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 0.00 0.00 0.00 0.00 0.00 40 C 8.14 4.94 0.00 2.86 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 41 L 9.17 4.19 0.00 1.70 1.42 0.92 0.69 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 42 G 10.01 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.37 3.95 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 0.00 0.00 0.00 44 D 8.15 5.37 0.00 2.85 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 45 F 9.23 5.36 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.02 5.30 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *48 I 8.09 4.13 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.98 0.00 0.00 49 V 8.93 4.90 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 1.21 0.00 0.00 0.66 0.00 0.00 50 L 8.88 5.13 0.00 1.67 1.61 0.93 0.63 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 51 V 9.25 4.89 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 0.97 0.00 0.00 1.06 0.00 0.00 52 S 9.12 5.36 0.00 3.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.76 4.63 0.00 1.75 1.52 0.86 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.09 5.33 0.00 2.80 2.74 0.00 0.00 7.08 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 55 A 8.57 4.76 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 56 K 8.71 4.29 0.00 1.81 1.93 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.46 7.81 57 D 7.88 5.18 0.00 2.78 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 58 G 8.46 3.60 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 59 K 7.99 3.93 0.00 1.81 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.64 7.81 60 L 7.66 3.88 0.00 1.67 1.52 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.44 3.51 1.77 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.08 0.80 0.00 0.00 62 Q 8.31 3.93 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 63 S 8.15 4.08 0.00 3.88 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 64 A 8.06 3.98 1.30 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 0.00 0.00 0.00 65 L 8.07 3.93 0.00 1.70 1.74 0.89 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.23 4.00 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 67 S 7.94 4.23 0.00 3.89 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.97 4.22 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 69 L 7.97 4.74 0.00 1.76 1.29 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.51 0.00 2.22 2.10 0.00 3.93 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 2.05 2.00 0.00 71 G 9.00 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 0.00 0.00 0.00 72 F 7.84 4.70 0.00 3.17 3.09 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 73 Q 9.18 4.48 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 74 I 8.49 5.37 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.78 1.04 0.00 0.00 75 S 9.18 4.89 0.00 3.89 3.95 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 76 T 8.21 5.30 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 77 R 9.03 4.88 0.00 1.92 2.04 0.00 2.82 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 78 R 8.85 3.96 0.00 1.76 1.83 0.00 2.74 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 79 A 8.40 4.94 1.16 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 0.00 0.00 0.00 80 S 8.39 4.51 0.00 3.96 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 *86 H 8.72 4.49 0.00 3.13 3.32 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.83 4.42 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.88 0.00 0.00 88 S 8.30 4.27 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.22 0.00 2.10 2.23 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 90 D 7.67 4.94 0.00 2.60 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 91 T 7.75 4.48 4.35 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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0.00 100 G 8.41 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.42 0.00 1.94 1.89 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.43 0.00 102 D 8.73 4.58 0.00 2.66 2.45 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 0.00 103 S 7.97 4.57 0.00 4.04 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 0.00 104 E 8.85 3.92 0.00 1.93 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 2.26 2.28 0.00 105 G 7.93 3.95 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 0.00 0.00 0.00 106 I 6.81 2.33 0.79 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.36 0.35 0.00 0.00 107 V 7.13 3.44 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 1.10 0.00 0.00 0.95 0.00 0.00 108 E 8.03 3.81 0.00 1.96 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 2.35 2.31 0.00 109 A 7.74 3.93 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 0.00 110 V 7.67 3.48 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 1.03 0.00 0.00 0.89 0.00 0.00 111 T 8.17 3.92 4.23 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 1.25 0.00 0.00 112 A 8.19 3.92 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 0.00 113 V 7.47 3.45 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 0.92 0.00 0.00 0.89 0.00 0.00 114 L 7.73 3.86 0.00 1.88 1.71 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.29 3.96 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 0.00 116 K 7.99 3.86 0.00 1.86 1.93 0.00 1.77 0.00 0.00 1.67 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0.00 133 F 5.92 4.93 0.00 3.10 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.43 4.13 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 0.00 135 G 10.52 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.79 4.78 0.00 3.29 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 0.00 137 T 7.44 4.95 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 138 L 8.97 4.45 0.00 2.04 1.61 1.19 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 F 9.43 5.25 0.00 3.20 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 0.00 140 R 7.16 4.97 0.00 1.50 1.57 0.00 3.45 0.00 0.00 3.43 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.34 0.00 *142 G 8.40 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 0.00 143 S 9.36 5.19 0.00 3.86 3.71 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 0.00 144 R 8.81 5.14 0.00 1.96 1.78 0.00 3.09 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 145 V 9.08 5.21 2.30 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 0.74 0.00 0.00 1.28 0.00 0.00 146 A 9.01 5.35 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 F 8.47 5.16 0.00 3.16 3.16 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 0.00 148 P 0.00 4.79 0.00 2.23 2.31 0.00 3.83 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 149 F 9.09 4.77 0.00 3.37 3.43 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 0.00 150 P 0.00 4.45 0.00 1.95 2.08 0.00 3.43 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.42 0.00 151 L 8.30 4.28 0.00 1.89 1.47 0.88 0.55 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 0.00 152 Y 8.35 4.30 0.00 3.43 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 0.00 153 Q 8.30 3.82 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 154 E 8.05 3.87 0.00 2.15 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 0.00 2.47 2.23 0.00 155 V 7.64 3.28 1.75 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 0.72 0.00 0.00 0.24 0.00 0.00 156 V 7.41 3.37 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 0.87 0.00 0.00 0.22 0.00 0.00 157 T 7.77 3.80 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 1.18 0.00 0.00 158 A 8.01 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.30 3.95 0.00 1.75 1.71 0.87 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 0.00 160 S 8.01 4.45 0.00 4.05 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 0.00 161 R 7.79 3.95 0.00 1.99 2.02 0.00 3.10 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 162 V 7.67 3.78 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 1.11 0.00 0.00 1.05 0.00 0.00 163 E 8.28 4.23 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 164 E 7.92 3.99 0.00 1.98 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 0.00 2.28 2.29 0.00 165 E 8.20 3.85 0.00 1.94 1.82 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 1.47 1.93 0.00 166 F 8.03 4.67 0.00 3.17 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 0.00 167 G 8.22 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 0.00 0.00 0.00 168 V 7.65 4.67 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 1.03 0.00 0.00 0.99 0.00 0.00 169 D 9.10 5.21 0.00 2.79 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 0.00 170 I 9.19 5.04 1.90 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 1.25 0.64 0.94 0.00 0.00 171 D 9.51 5.16 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.64 5.30 0.00 1.66 1.63 1.16 0.86 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 0.00 173 E 9.42 4.95 0.00 2.00 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 2.29 2.35 0.00 174 E 9.04 3.84 0.00 1.74 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 1.90 1.49 0.00 175 V 8.26 3.71 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 0.72 0.00 0.00 0.87 0.00 0.00 176 V 8.25 3.72 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.