NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3482 8.3144 120.1374 56.7577 33.6167 174.7524 3 Q 4.6010 8.3844 121.6004 54.8849 31.0375 172.0555 4 K 5.2993 8.1287 118.0792 53.9356 36.2355 174.0801 5 I 5.2753 9.0909 118.4440 59.0852 41.3658 173.6660 6 L 5.1496 8.5072 124.9532 53.3699 44.7157 175.0053 7 I 4.8737 8.7397 126.4933 59.4657 40.5435 174.5535 8 V 4.8079 8.7368 127.0948 61.4815 33.9485 174.1604 9 E 4.9012 9.0635 129.4820 55.5211 32.7174 175.4072 10 D 4.4880 8.9567 126.5306 54.6694 40.5983 176.7727 11 S 4.2704 8.4568 115.5367 58.2821 62.3996 173.6095 *13 T 4.2780 8.4489 114.6788 64.0277 70.0213 176.6106 14 I 3.9029 7.6573 120.3124 64.3576 37.5415 177.6695 15 R 4.0359 8.4976 120.9511 59.5646 30.0963 180.1045 16 R 4.2743 7.3134 116.3728 56.2020 29.4332 178.8728 *18 L 4.2415 8.1391 119.1639 55.0676 43.8254 179.4246 19 I 3.6343 7.9880 119.3320 64.4487 37.1357 178.1494 20 Q 3.9027 8.1973 120.0213 59.2369 28.8981 178.3713 21 A 3.9840 7.8574 121.1355 55.3104 18.5746 179.5774 22 I 3.6889 8.0861 118.4483 64.3409 36.9230 178.5729 23 A 3.9712 8.1030 121.2534 54.9113 18.2438 178.9240 24 Q 4.1107 7.8423 116.6366 57.9353 29.4240 176.9423 25 Q 4.5378 8.0060 116.4861 54.8416 30.1339 174.7627 26 T 4.6327 7.5848 109.0595 59.7896 71.8423 173.6515 27 G 3.8687 8.3489 107.7754 45.3597 0.0000 173.4882 28 L 4.4045 7.4799 120.1092 53.8708 42.6470 176.8274 29 E 4.2554 8.8752 123.1049 56.2976 30.8997 175.7643 30 I 4.9884 8.2805 123.4819 59.6186 40.2392 174.4146 31 D 4.8950 9.1509 126.5642 52.3975 43.1846 175.1419 32 A 4.9516 7.8848 124.5502 50.0128 21.8573 174.9497 33 F 5.0622 9.0940 120.3588 55.7120 43.4714 175.4460 34 D 5.0389 9.2965 118.9226 53.0614 40.0217 176.1289 35 T 4.7271 7.4201 108.6269 59.8662 72.1263 173.5057 36 L 4.0061 8.8966 124.4425 58.1970 42.6392 178.6441 37 E 3.8484 9.0558 120.0591 59.1628 29.6020 179.0031 38 G 3.3378 7.8307 106.4108 47.8879 0.0000 173.7019 39 A 3.9213 7.4566 121.5653 51.5608 19.1283 178.7589 40 R 3.8379 7.6232 122.0159 60.8031 30.1058 177.8914 41 H 4.3901 8.0494 111.4881 57.4992 28.9955 175.2347 42 C 4.3324 7.7318 121.8956 60.3443 28.4739 173.4618 43 Q 4.7806 8.8277 122.8622 52.6306 30.6725 173.3034 44 G 4.1071 8.8304 110.6427 47.4156 0.0000 175.0694 45 D 4.5917 8.0760 116.9468 54.6651 39.8683 176.4241 46 E 4.1454 8.1617 120.0225 56.7368 30.2523 175.2164 47 Y 4.9224 7.2204 114.6287 55.7732 40.3460 175.8649 48 V 3.7961 8.9154 125.4992 65.6909 32.0926 176.1934 49 V 4.6052 7.3075 115.5818 60.9603 34.2452 171.3059 50 A 5.1509 8.8013 123.7956 50.1949 22.0073 175.2706 51 L 4.8728 9.1438 122.5391 53.3250 43.6673 175.8344 52 V 4.4973 8.4730 124.6728 60.6993 33.9975 174.2882 53 D 4.8778 8.8907 128.8845 54.4011 41.4891 176.3754 54 L 4.1970 8.2760 125.2898 56.3569 42.4859 176.9098 55 T 5.1353 7.9209 109.6112 59.7549 67.8675 173.3647 56 L 4.7080 8.2165 127.7585 53.0447 44.2540 176.4448 57 P 4.2652 0.0000 0.0000 65.1791 31.3905 177.2604 58 D 4.8175 7.8125 114.3749 52.6511 39.9999 177.2181 59 A 4.7003 7.5849 120.5400 51.9272 20.8473 175.8316 60 P 4.7052 0.0000 0.0000 63.3147 32.5786 177.7028 61 S 4.6561 8.2755 116.0101 58.4388 63.9194 175.0598 62 G 3.9645 8.5031 107.9313 45.7932 0.0000 175.8699 63 E 3.9720 8.1236 119.7588 59.2982 29.3434 178.8528 64 A 3.9913 7.9603 120.0793 54.4733 18.2829 179.6870 65 V 3.4320 7.5803 117.1240 66.1142 31.6715 178.1336 66 K 3.9057 7.9263 118.8642 59.3333 31.7585 178.5663 67 V 3.5652 7.4700 118.6358 66.2219 31.4438 178.0861 68 L 4.0050 8.0144 118.4846 57.5239 41.4911 179.1920 69 L 4.2614 8.0663 120.6325 57.3995 41.4012 179.4345 70 E 4.1071 8.1609 116.6381 58.5227 29.8395 178.4915 71 R 4.3446 7.6006 116.8919 55.9333 29.9007 177.5436 72 G 3.8924 8.1580 107.8404 45.6151 0.0000 172.4933 73 L 4.7530 7.6559 120.0929 52.4451 43.3079 174.8118 74 P 4.4535 0.0000 0.0000 62.5528 32.9960 175.3222 75 V 4.7675 8.2968 121.6682 61.1193 34.8775 173.9973 76 V 4.7853 8.6676 127.9580 61.1772 33.8066 174.6801 77 I 4.2720 8.3818 129.0517 61.0083 37.8776 174.7415 78 L 5.0731 8.6203 126.7281 53.5986 43.3457 175.5476 79 T 4.8635 8.7074 118.1202 60.3966 69.9240 173.8338 80 A 4.2787 8.9876 130.6183 53.9408 19.1141 176.3893 81 D 4.8343 7.6319 113.2556 52.2618 42.6843 174.2066 82 I 4.5218 7.8713 118.2065 58.6273 41.2252 174.1243 83 S 4.6904 7.8507 121.4443 56.4194 67.4660 175.5610 84 E 3.8962 8.4693 120.8708 61.2293 29.4094 178.6390 85 D 4.4232 7.8154 119.0207 57.0394 40.8324 178.8775 86 K 3.1626 7.5911 118.8834 59.0427 31.9307 179.1866 87 R 3.4788 6.9563 118.7663 59.2761 29.8609 178.0644 88 E 3.8455 7.9158 118.5962 59.1940 29.6656 178.4715 89 A 3.9674 7.7843 120.7436 55.1517 18.4147 179.7194 90 W 4.4137 8.2001 117.6946 60.0365 29.1670 178.9012 91 L 4.1649 8.3212 119.0481 57.7740 40.8304 179.2957 92 E 4.0079 8.2932 117.7268 59.3260 29.5286 178.7705 93 A 4.2929 7.9717 118.7160 53.0971 18.5659 178.1972 94 G 3.9754 7.7487 105.7064 44.9919 0.0000 174.1553 95 V 3.7572 7.4614 119.1800 62.4565 32.1953 175.9505 96 L 4.1811 8.8867 129.9401 57.9093 42.5719 175.7574 97 D 4.7989 7.6147 115.7968 54.0170 44.7135 172.9038 98 Y 5.2999 8.2982 117.3110 55.1390 41.2457 175.4029 99 V 4.3891 8.8825 121.3203 61.7780 35.4563 177.0560 *101 K 4.3763 8.6016 117.3486 56.5992 33.7303 176.5170 102 D 4.5901 8.2737 118.9923 55.5257 40.3976 175.9964 103 S 4.6024 7.5887 114.7684 56.0424 67.1874 174.9640 104 R 3.9046 8.4671 121.9669 59.8320 29.6575 178.1832 105 H 4.3205 8.0920 113.6634 58.4230 28.9569 177.2641 106 S 4.2912 7.8955 117.3599 61.2286 62.9721 176.3632 107 L 4.0462 7.8785 122.1769 57.5991 41.3313 179.0570 108 Q 3.9947 7.9116 119.4396 59.2890 28.8282 177.6862 109 Y 4.0388 8.1124 120.4242 60.8989 38.6296 178.2538 110 A 4.0256 8.3133 121.3782 54.8899 18.5015 179.9278 111 V 3.5599 7.6916 116.9782 66.2373 31.7325 178.5576 112 G 3.5425 7.9058 104.9949 47.4778 0.0000 175.2197 113 L 3.7293 7.5837 122.4798 58.1858 42.1557 179.6479 114 V 3.8449 7.9823 112.5238 64.3037 31.3987 178.1620 115 H 4.1812 8.1266 118.0412 59.2226 29.6574 177.3070 116 R 3.8061 8.0007 120.4580 59.4775 29.7104 178.4336 117 L 3.9370 8.2187 117.8948 57.7537 41.5198 178.6278 118 Y 4.1826 8.1662 119.4642 60.8104 38.8126 178.2157 119 L 3.7972 7.9418 119.7951 57.8480 41.7074 179.3203 120 N 4.3036 8.4226 116.5760 56.1589 38.1347 177.1736 121 Q 4.2647 7.5684 120.2362 57.2818 28.7030 177.5208 122 Q 4.4731 7.3374 114.8664 55.5756 29.1377 174.6319 123 I 4.4466 7.6128 120.0172 60.0528 39.7129 174.2476 124 E 5.2102 8.6518 125.8157 54.8996 31.8161 175.4182 125 V 4.9696 8.8893 116.7213 59.4076 36.5835 174.1548 126 L 5.1565 8.8704 123.7786 53.3917 45.3861 175.0790 127 V 4.6744 8.6719 126.2344 61.2314 33.7574 174.2794 128 V 4.8873 8.4577 128.4627 61.5138 33.8604 173.8772 129 D 4.8344 8.7143 125.2014 53.7765 44.7837 175.8368 130 D 5.1748 8.6498 124.4796 53.8839 40.4036 176.8384 131 S 4.5796 8.3721 118.2822 57.0661 64.2222 174.4630 132 R 3.8327 8.6086 127.3291 59.8362 29.8124 178.3697 133 T 3.8106 7.7847 115.0089 66.8035 68.5904 176.6772 134 S 4.1608 7.9617 115.6096 61.2027 62.9882 176.0765 135 R 3.9110 8.2861 121.9376 59.8290 29.9465 178.0530 136 H 4.4260 8.5312 114.8402 58.6071 28.9401 177.5678 137 R 4.1306 8.0243 120.6538 59.5710 29.8450 179.2664 138 T 4.3204 8.0099 113.2891 64.1040 68.4941 176.1824 *140 A 4.2628 7.9856 126.0955 52.4537 20.6289 180.0032 141 Q 4.0545 8.2378 113.7960 59.2695 29.0618 178.8314 142 L 4.1482 8.2256 120.0681 57.7385 41.6037 179.7689 143 R 4.0208 7.9663 117.5296 58.6478 29.8652 178.1193 144 K 4.3371 7.7880 115.6951 57.3631 32.2569 177.8148 145 Q 4.4044 7.8827 118.6574 54.8363 28.6947 176.1114 146 L 3.7635 7.6436 118.9752 55.4661 39.9023 174.3440 147 L 4.4334 7.0950 118.3688 54.6370 42.7806 176.8627 148 Q 4.2334 8.6415 120.9457 55.3254 29.7806 175.1322 149 V 4.6434 8.2612 124.8118 61.4977 33.3040 174.6005 150 H 5.0302 9.2810 125.8601 54.3706 31.1428 173.9305 151 E 5.3281 8.6336 117.3976 54.7820 32.9453 174.9486 152 A 4.8190 8.7401 122.0189 51.0278 22.7943 177.0859 153 S 4.7999 9.7544 117.6077 58.4237 63.8131 173.3072 154 H 4.8420 7.2525 115.2097 53.5289 31.7858 174.3456 155 A 4.0041 8.3637 122.5884 55.2196 18.2727 179.5178 156 R 3.8518 8.1009 116.7377 59.8337 30.0251 178.1653 157 E 3.9575 8.4413 118.1558 59.0278 29.6432 178.2221 158 A 3.9961 8.1423 120.8927 55.3058 18.4838 179.6036 159 L 3.9531 8.1232 117.1022 57.8917 41.7151 179.6021 160 A 4.0260 7.9185 120.2710 55.4949 18.3281 179.8070 161 T 3.8538 8.2451 114.4905 66.8558 68.3275 176.8641 162 L 3.9715 7.8562 119.6209 57.7644 41.6726 179.1364 163 E 4.1406 8.0694 117.6020 59.6589 29.5547 179.2114 164 Q 4.2155 7.9674 116.2015 57.3287 30.3223 176.2770 165 H 4.8533 7.9467 117.1875 53.0147 29.0095 172.0975 166 P 4.3106 0.0000 0.0000 64.1640 31.7744 178.2127 167 A 4.1299 7.7676 121.0311 53.4616 18.8948 177.7289 168 I 3.8414 7.4369 117.7918 62.0099 37.4795 175.9229 169 R 4.5487 8.8642 120.5270 55.8303 31.5669 175.2297 170 L 5.1079 7.6213 121.9221 53.5556 45.9466 174.4403 171 V 4.8316 8.8867 125.7242 61.0647 34.6728 173.8218 172 L 5.0581 8.9296 127.9755 53.0250 44.1676 175.4682 173 V 4.6015 8.3817 123.7061 60.7755 34.5385 174.1028 174 D 4.8373 9.0737 129.0165 54.7487 41.9320 176.1333 175 Y 4.3942 9.1435 127.5225 60.3769 39.7414 174.8211 176 Y 4.4641 8.2037 119.1220 55.7287 39.9304 172.6119 *178 P 3.9073 0.0000 0.0000 63.7275 32.5407 175.1506 179 E 4.0855 9.0029 125.2332 56.2302 28.8325 174.5599 180 I 4.3865 7.2180 120.0887 58.7200 39.6419 175.7579 181 D 4.6753 8.4085 126.1817 52.2040 41.7798 177.2178 182 G 3.9122 8.2745 107.6144 47.6228 0.0000 176.0606 183 I 3.8223 7.9220 121.7099 64.1142 36.9665 178.4701 184 S 4.1596 8.4953 115.5630 61.4634 62.7217 176.2049 185 L 4.1305 7.7995 121.9963 58.1357 42.0922 178.7968 186 V 3.9004 8.2245 118.4551 66.0303 31.5710 178.8124 187 R 4.1448 8.2290 115.7775 56.9467 30.2081 178.4722 *189 L 4.3904 7.8797 120.5990 55.0970 42.6344 179.4244 190 R 4.8835 8.1221 118.1748 57.9181 29.7428 178.6266 191 E 4.1352 8.0200 117.5041 58.3203 29.3955 178.2132 192 R 4.1508 6.9593 113.7021 55.7409 32.0606 176.0217 193 Y 5.0379 7.7473 116.4998 55.8196 40.7663 175.8852 194 S 4.7969 9.2472 119.5193 57.3963 64.1234 175.3867 195 K 4.0287 8.5553 119.8472 59.2555 31.8488 178.3680 196 Q 4.2127 7.9909 118.3914 57.9262 29.4609 176.5914 197 Q 4.1080 7.7638 116.2384 58.1061 29.0663 175.8038 198 L 4.4256 7.8005 119.8406 53.8854 44.3764 175.2369 199 A 4.5692 9.1439 130.0712 51.8052 20.1338 176.0035 200 I 4.8988 9.1854 121.8535 59.5622 41.2064 174.4656 201 I 4.5624 8.7417 128.4720 59.5105 39.3294 174.9617 202 G 2.9153 8.5231 115.6339 44.9861 0.0000 172.2656 203 I 5.6004 8.5618 127.1467 59.5172 39.3536 175.2215 204 S 5.1514 8.5684 120.8538 57.1490 67.7398 173.4515 205 V 4.5080 8.5296 116.0855 60.9769 32.5097 176.0321 206 S 4.6043 8.6903 120.2198 57.1291 64.0474 172.7172 207 D 4.5369 8.0201 126.0952 52.1582 41.1110 175.4661 208 K 4.0284 8.6767 116.9982 59.9035 32.4763 177.7885 209 R 3.9173 8.0109 117.5853 56.4958 30.8456 176.2582 210 G 3.9188 7.8952 106.8761 46.6012 0.0000 175.7669 211 L 3.7359 7.6224 120.2083 57.4316 41.9370 179.0626 212 S 4.3015 8.0867 114.4669 61.7697 62.7033 176.4963 213 A 3.9303 7.8430 122.6929 55.1957 18.1328 179.7575 214 R 3.8255 7.8453 116.1624 59.4669 29.5996 178.7109 215 Y 4.2960 8.2668 116.9130 61.2791 37.9639 178.8528 216 L 4.1084 8.2634 119.7459 57.9967 41.5769 179.9317 217 K 4.1153 8.2380 117.1470 59.0307 32.0309 178.5047 218 Q 4.4013 7.7431 116.0834 55.8002 28.9974 176.4671 219 G 4.0853 8.0148 108.1620 44.8425 0.0000 174.2349 220 A 4.1818 7.8818 122.7884 52.2425 18.8922 177.9888 221 N 4.6088 8.5971 119.4415 56.4199 39.4196 174.3964 222 D 4.8137 7.6758 116.4513 53.4753 44.9636 173.6942 223 F 5.4162 8.2186 114.8354 55.1202 41.6434 174.2912 224 L 4.2575 8.6887 121.6260 54.0483 45.2117 174.2085 225 N 5.4331 8.9719 124.2039 52.6852 39.8468 174.8086 226 Q 4.8406 9.1295 122.9518 53.9903 30.2625 174.3128 227 P 4.3200 0.0000 0.0000 62.6799 32.1247 175.5697 228 F 5.1748 7.4513 114.1052 54.5533 41.2454 174.6612 229 E 4.5230 9.0831 121.3348 54.8531 31.9791 175.9239 230 P 4.4155 0.0000 0.0000 66.2578 31.4166 178.9579 231 E 4.2006 8.2268 116.6662 59.2262 29.3729 179.1265 232 E 3.9651 8.1963 118.4098 59.1483 29.5952 178.8385 233 L 3.6390 8.0099 120.3184 58.1041 42.1316 178.5310 234 Q 4.0891 8.4707 119.8731 59.5044 28.9021 178.0683 235 C 4.0541 8.1652 119.3569 62.6428 31.6444 175.8016 236 R 3.8374 8.0330 119.6255 59.1082 29.5394 179.2502 237 V 3.4925 7.8397 118.0603 66.1103 31.4973 178.1871 238 S 4.0248 8.2758 115.2089 61.9725 62.6675 176.4336 239 H 4.0943 8.2529 118.7948 59.0069 28.4360 177.6918 240 N 4.2686 8.2089 118.2105 56.1194 38.1186 177.5582 241 L 3.8951 7.8123 119.7413 57.6611 42.0783 178.7846 242 E 4.1847 8.6615 120.7602 58.6499 29.4613 178.6789 243 A 2.5800 7.6241 120.6792 54.7036 18.0744 179.6021 244 L 3.8478 7.5437 116.4274 57.7121 41.9552 179.0416 245 E 4.2622 7.9717 117.8282 57.7790 29.4213 178.1098 246 Q 4.6015 7.7221 114.5930 55.6177 31.5928 175.2218 247 F 4.7074 8.4441 120.9081 57.6578 39.0451 175.4522 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 K 8.31 4.35 0.00 1.77 1.83 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.48 7.81 3 Q 8.38 4.60 0.00 2.26 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.12 1.91 0.00 4 K 8.13 5.30 0.00 1.66 1.33 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.63 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.43 1.56 7.81 5 I 9.09 5.28 2.01 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 1.14 0.73 0.98 0.00 0.00 6 L 8.51 5.15 0.00 0.89 1.23 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.74 4.87 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.88 0.00 0.00 8 V 8.74 4.81 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 1.09 0.00 0.00 0.96 0.00 0.00 9 E 9.06 4.90 0.00 2.08 1.72 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 2.21 2.42 0.00 10 D 8.96 4.49 0.00 2.83 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.46 4.27 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *13 T 8.45 4.28 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 14 I 7.66 3.90 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.47 0.91 0.00 0.00 15 R 8.50 4.04 0.00 1.96 1.97 0.00 3.03 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 16 R 7.31 4.27 0.00 1.99 1.91 0.00 3.20 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 *18 L 8.14 4.24 0.00 1.90 1.74 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.99 3.63 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.87 0.00 0.00 20 Q 8.20 3.90 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 21 A 7.86 3.98 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 22 I 8.09 3.69 1.94 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 1.44 0.84 0.89 0.00 0.00 23 A 8.10 3.97 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.84 4.11 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 25 Q 8.01 4.54 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.46 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 26 T 7.58 4.63 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 27 G 8.35 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.48 4.40 0.00 1.52 1.58 0.94 0.79 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 1.71 1.77 0.00 105 H 8.09 4.32 0.00 3.37 3.45 0.00 5.58 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.90 4.29 0.00 4.07 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 0.00 107 L 7.88 4.05 0.00 2.00 1.78 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.91 3.99 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 Y 8.11 4.04 0.00 3.13 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 0.00 110 A 8.31 4.03 1.42 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 0.00 0.00 111 V 7.69 3.56 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 1.05 0.00 0.00 0.92 0.00 0.00 112 G 7.91 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.72 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.22 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 122 Q 7.34 4.47 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.60 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 123 I 7.61 4.45 1.91 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 1.16 0.92 0.85 0.00 0.00 124 E 8.65 5.21 0.00 1.89 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 2.41 2.30 0.00 125 V 8.89 4.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.95 0.00 0.00 126 L 8.87 5.16 0.00 1.67 1.43 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.67 4.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 128 V 8.46 4.89 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 0.98 0.00 0.00 0.95 0.00 0.00 129 D 8.71 4.83 0.00 2.78 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.65 5.17 0.00 2.76 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 0.00 131 S 8.37 4.58 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 0.00 132 R 8.61 3.83 0.00 1.80 1.85 0.00 3.11 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.55 0.00 133 T 7.78 3.81 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 1.20 0.00 0.00 134 S 7.96 4.16 0.00 4.07 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.29 3.91 0.00 1.86 2.19 0.00 3.34 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 136 H 8.53 4.43 0.00 3.18 3.34 0.00 5.73 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 0.00 137 R 8.02 4.13 0.00 1.99 2.09 0.00 3.05 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 138 T 8.01 4.32 4.45 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 1.31 0.00 0.00 *140 A 7.99 4.26 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 0.00 141 Q 8.24 4.05 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 142 L 8.23 4.15 0.00 1.68 1.70 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.97 4.02 0.00 1.98 1.96 0.00 3.09 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 144 K 7.79 4.34 0.00 1.98 1.88 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.68 7.81 145 Q 7.88 4.40 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.11 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 146 L 7.64 3.76 0.00 1.85 1.70 1.00 0.65 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 0.00 147 L 7.10 4.43 0.00 1.66 1.55 0.88 0.84 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 0.00 148 Q 8.64 4.23 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 149 V 8.26 4.64 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 0.80 0.00 0.00 0.93 0.00 0.00 150 H 9.28 5.03 0.00 3.11 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.63 5.33 0.00 1.94 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 2.16 2.28 0.00 152 A 8.74 4.82 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 0.00 153 S 9.75 4.80 0.00 3.75 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 0.00 154 H 7.25 4.84 0.00 3.30 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.36 4.00 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 0.00 156 R 8.10 3.85 0.00 1.87 1.96 0.00 3.13 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 157 E 8.44 3.96 0.00 1.95 1.92 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 2.35 2.36 0.00 158 A 8.14 4.00 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 0.00 159 L 8.12 3.95 0.00 1.89 1.77 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.92 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.25 3.85 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 162 L 7.86 3.97 0.00 1.80 1.72 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.07 4.14 0.00 2.18 2.02 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 1.28 0.00 0.00 0.00 0.00 0.00 0.00 199 A 9.14 4.57 1.19 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 0.00 0.00 200 I 9.19 4.90 1.88 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 1.24 0.83 0.88 0.00 0.00 201 I 8.74 4.56 1.73 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.77 0.72 0.00 0.00 202 G 8.52 2.92 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 0.00 203 I 8.56 5.60 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.00 1.14 0.00 0.00 204 S 8.57 5.15 0.00 3.99 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 0.00 205 V 8.53 4.51 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 0.78 0.00 0.00 0.97 0.00 0.00 206 S 8.69 4.60 0.00 3.99 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 0.00 207 D 8.02 4.54 0.00 2.83 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 0.00 208 K 8.68 4.03 0.00 1.85 1.97 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.43 7.81 209 R 8.01 3.92 0.00 1.83 1.84 0.00 3.20 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 210 G 7.90 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 0.00 211 L 7.62 3.74 0.00 1.56 1.40 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 212 S 8.09 4.30 0.00 3.63 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 A 7.84 3.93 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 0.00 214 R 7.85 3.83 0.00 1.91 1.87 0.00 3.05 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 215 Y 8.27 4.30 0.00 3.22 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 0.00 216 L 8.26 4.11 0.00 1.85 1.77 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 217 K 8.24 4.12 0.00 1.72 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.62 7.81 218 Q 7.74 4.40 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.76 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 219 G 8.01 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 0.00 0.00 0.00 0.00 220 A 7.88 4.18 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 N 8.60 4.61 0.00 2.71 2.90 0.00 0.00 6.71 8.21 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 0.00 222 D 7.68 4.81 0.00 2.63 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 F 8.22 5.42 0.00 3.05 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 0.00 224 L 8.69 4.26 0.00 1.44 1.26 0.63 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 225 N 8.97 5.43 0.00 2.82 2.87 0.00 0.00 7.15 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 0.00 226 Q 9.13 4.84 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 227 P 0.00 4.32 0.00 2.13 2.00 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 228 F 7.45 5.17 0.00 3.18 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 E 9.08 4.52 0.00 2.09 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 0.00 2.35 2.53 0.00 230 P 0.00 4.42 0.00 2.23 2.19 0.00 3.66 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 2.18 2.25 0.00 231 E 8.23 4.20 0.00 2.09 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 2.36 2.48 0.00 232 E 8.20 3.97 0.00 2.31 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 2.43 2.42 0.00 233 L 8.01 3.64 0.00 1.68 1.91 0.66 0.77 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 0.00 234 Q 8.47 4.09 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 235 C 8.17 4.05 0.00 3.16 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 0.00 236 R 8.03 3.84 0.00 1.82 1.78 0.00 2.99 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 237 V 7.84 3.49 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 1.07 0.00 0.00 0.87 0.00 0.00 238 S 8.28 4.02 0.00 3.77 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 0.00 239 H 8.25 4.09 0.00 3.25 3.26 0.00 5.62 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 0.00 240 N 8.21 4.27 0.00 2.74 2.78 0.00 0.00 7.05 6.02 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 0.00 241 L 7.81 3.90 0.00 1.64 1.65 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 242 E 8.66 4.18 0.00 1.95 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 0.00 2.24 2.05 0.00 243 A 7.62 2.58 0.80 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 0.00 0.00 244 L 7.54 3.85 0.00 1.74 1.69 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 245 E 7.97 4.26 0.00 2.13 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 0.00 2.27 2.34 0.00 246 Q 7.72 4.60 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 247 F 8.44 4.71 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.