NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.3003 7.8785 121.0479 61.0533 39.7125 174.6256 17 A 4.6525 9.0081 132.2461 49.0632 21.8053 174.4292 18 G 3.5609 8.3431 108.0995 46.6605 0.0000 173.6197 19 G 4.3484 9.0126 109.9055 46.6050 0.0000 172.9310 *29 E 4.7121 7.9319 117.8152 55.8695 31.4395 174.9541 30 A 4.8487 8.6416 123.1525 52.1574 19.3962 177.0935 31 I 4.9134 8.8033 114.4850 59.3977 40.7220 174.5179 32 T 5.3460 8.9451 113.9428 60.5811 73.2001 172.6998 33 T 4.1935 8.4994 116.5951 60.4798 70.3890 173.4225 34 G 3.5924 8.7392 119.1418 47.0279 0.0000 174.8134 *39 G 3.9348 8.6538 112.9802 45.0461 0.0000 171.7546 40 S 4.7288 8.1865 117.1180 57.1635 65.0521 173.2589 41 R 5.1285 8.4598 122.7066 55.1517 33.6844 174.7353 42 C 5.2536 9.2859 122.0969 55.7132 44.8310 172.6410 43 S 5.4026 8.8287 114.6391 56.9540 65.9330 174.2966 44 L 3.7281 8.9619 125.3991 55.3684 42.5753 176.8380 45 G 4.0464 9.0850 114.4576 48.2781 0.0000 173.2063 46 F 5.0899 7.5082 117.1504 55.0684 44.3182 172.9381 47 N 5.1712 8.9708 119.7858 53.2929 40.1173 174.5894 48 V 4.9429 9.2338 115.4913 59.9935 37.1986 173.7914 48A S 5.1963 9.3962 115.9573 56.6170 65.5191 172.9399 48B V 4.3818 8.7321 126.3054 60.8960 33.6979 175.2468 48C N 4.1529 9.8158 128.2949 54.4011 36.0090 175.8484 48D G 3.9131 7.8367 103.1481 45.4614 0.0000 173.7454 49 V 4.0497 7.7675 120.8764 60.9673 32.6988 174.6408 50 A 4.6382 8.4960 129.6120 52.6552 19.5150 175.8455 51 H 5.4620 9.6890 118.9585 54.1818 34.3964 172.0508 52 A 5.1557 9.2412 120.3784 50.3987 22.1087 175.5147 53 L 4.8580 9.0322 122.4568 54.6112 44.0437 176.1864 54 T 4.4288 8.3824 114.7511 61.3425 71.2323 172.3463 55 A 4.4967 8.4671 123.7784 51.6104 18.8176 179.1096 56 G 3.8097 9.0016 109.7809 48.2042 0.0000 175.7158 57 H 3.7264 8.2249 115.6944 57.7225 28.1838 176.9487 58 C 4.4885 6.9413 119.7715 60.1168 38.9302 175.8260 59 T 3.8207 7.7122 110.9483 64.7383 67.9643 175.6592 58 N 4.6785 7.0213 119.8715 55.0168 45.7800 176.4260 59 I 3.6407 7.5622 117.2483 64.0383 36.9643 177.3592 64 S 4.7318 7.1549 110.1853 57.2746 65.0964 173.5624 65 A 4.4018 8.5266 125.5693 53.0362 19.1023 176.8639 65A S 4.9710 7.8352 111.0464 56.2972 63.5865 173.2418 66 W 4.8863 9.0786 126.8336 53.8552 32.3170 176.4418 *84 S 4.4500 8.5181 114.3069 58.1073 64.2444 174.8131 85 I 4.2262 8.3116 112.1535 60.0019 38.7325 175.9307 86 G 4.3202 6.5413 107.3961 45.9188 0.0000 170.3904 87 T 5.1123 7.6626 116.2323 61.4490 71.2274 174.2659 88 R 4.4609 9.1844 127.7957 56.8965 30.4789 176.1680 89 T 4.5773 8.4929 115.2145 60.9735 69.9492 173.8436 90 G 4.0618 7.6753 106.7405 46.4832 0.0000 172.4903 91 T 4.9532 8.1061 114.8902 60.8584 71.5097 172.5553 *93 S 4.5478 8.5510 121.0684 58.8826 63.4902 172.0446 94 F 5.4979 8.6224 125.9707 57.4878 42.5732 172.2052 *99A P 3.0925 0.0000 0.0000 64.1757 31.1756 173.5685 100 N 4.6123 7.9589 115.9669 53.0209 39.7932 176.5249 101 N 5.0243 7.2799 112.9411 52.0655 41.6577 174.4729 102 D 5.2791 8.9604 116.7521 52.9924 41.6395 173.1282 103 Y 5.2905 8.1222 119.7305 55.9955 42.7220 175.5354 104 G 5.0093 8.9330 105.8836 45.8742 0.0000 171.8407 105 I 5.1607 8.6959 119.9613 59.1321 42.0528 173.8340 106 I 4.9060 8.4624 128.1794 59.4065 41.0169 174.4106 107 R 4.2454 9.0802 127.9276 55.6400 31.2764 175.2717 108 H 4.7156 8.4503 124.1326 56.0097 28.7892 176.2505 109 S 4.1312 9.3536 119.7559 60.5839 63.0895 172.9891 110 N 5.0402 7.8282 118.5644 50.6884 39.5804 172.5086 111 P 4.1535 0.0000 0.0000 65.0581 31.6855 178.8536 112 A 4.0077 7.8396 119.5238 54.3048 18.3080 178.0892 113 A 4.1405 7.7979 117.2032 53.2659 18.9318 178.5948 114 A 4.0611 7.2478 119.6331 51.1516 16.4530 174.7380 115 D 4.4469 8.1716 118.2671 53.2543 41.8399 177.5028 116 G 4.0869 8.3025 118.6889 45.6215 0.0000 171.3776 117 R 5.1940 7.7522 118.4195 54.6018 36.1666 175.3163 118 V 4.6572 8.7450 119.8349 61.2375 33.9933 173.8899 119 Y 4.1450 8.7934 130.0554 57.2842 38.1071 175.1488 120 L 4.2284 7.9184 125.5182 54.2220 42.2583 176.6637 120A Y 2.8306 5.3700 115.5458 58.5274 34.9799 170.4008 120B N 4.8120 6.8867 111.1607 52.8679 38.0737 175.3072 120C G 4.0242 8.1289 105.7029 46.4788 0.0000 173.5866 120D S 5.1012 7.9587 115.0145 56.7724 67.1100 172.4045 121 Y 5.1216 8.5421 116.9731 56.5254 42.1649 174.6015 122 Q 4.6112 9.2249 123.4807 54.4560 31.4033 174.2501 123 D 4.8306 8.7573 126.4004 54.3093 42.7146 174.4748 124 I 4.9614 8.2629 126.6319 60.0897 38.4324 175.6164 125 T 4.5527 9.1861 115.3709 62.2117 71.2695 173.1604 126 T 4.7389 7.7222 114.5529 60.5661 71.6836 171.8006 127 A 5.0380 8.4951 124.0403 50.3433 21.8061 175.8257 128 G 4.1587 8.9713 106.3939 45.5390 0.0000 171.3113 129 N 5.0706 8.6234 116.1773 51.0583 40.6755 175.1254 130 A 4.8353 8.6392 124.5617 51.4483 19.5683 176.6399 131 F 5.0348 7.7919 113.1829 54.4520 41.0772 174.5969 132 V 3.8929 8.4788 122.7925 64.6589 31.6678 176.3922 133 G 3.9934 9.0962 116.3485 44.8905 0.0000 173.3233 134 Q 3.8097 7.4659 122.0032 55.5975 30.1306 174.9567 135 A 4.5490 8.3536 128.2412 52.0029 19.1578 176.9331 136 V 4.4619 8.7544 115.3907 59.7345 36.6224 174.6189 137 Q 4.8505 8.2679 119.6958 54.1003 33.0601 174.6776 138 R 5.1229 9.0776 121.1222 54.7132 33.8815 173.7751 139 S 5.3342 9.1446 119.7889 56.7516 65.8317 172.8426 140 G 4.3460 8.9017 112.4303 45.2274 0.0000 174.1044 141 S 4.7016 9.0570 115.2484 59.4134 63.6995 175.4428 142 T 4.2197 8.6054 118.8885 65.6138 68.6607 176.3904 143 T 4.3304 7.8983 108.6393 61.8969 70.7742 174.1216 *156 G 3.3939 7.2787 108.8874 45.6618 0.0000 173.2907 157 L 5.2792 8.4871 127.4246 53.4051 43.6525 175.1812 158 R 4.9108 8.9566 123.8775 54.5676 34.8642 174.0728 159 S 4.9056 8.4807 114.8306 56.5717 66.3941 174.3858 160 G 4.0233 7.9862 107.3340 46.1446 0.0000 172.1354 161 S 4.9591 8.2307 115.4551 56.5781 67.3130 174.0545 162 V 4.2433 8.3555 122.1542 63.2563 31.8534 176.3071 163 T 4.5606 8.5941 117.5895 61.5416 70.2456 174.1155 164 G 4.1863 7.4107 107.3975 45.8819 0.0000 172.2593 165 L 5.1665 8.3421 119.6708 52.2576 45.9093 175.3280 166 N 4.0341 8.7963 115.1913 54.5649 37.5924 173.9743 167 A 4.4247 8.3754 118.3634 51.7987 20.3412 177.7221 168 T 4.5672 8.3376 118.3185 62.3523 70.2705 174.5113 169 V 3.7050 8.3268 126.0364 60.7780 34.3937 173.6636 170 N 4.6250 8.3403 127.3506 52.2275 39.7068 173.5912 171 Y 4.8654 8.7324 125.0314 57.5716 39.5035 177.2469 172 G 3.9312 8.7993 115.0356 46.3985 0.0000 178.6589 173 S 4.1273 9.0550 119.6416 60.9091 62.6017 175.3543 174 S 4.2682 7.8352 115.3986 59.2797 63.0278 173.5155 175 G 3.7067 8.2539 106.3746 44.2399 0.0000 171.7505 176 I 4.6335 7.8479 117.8406 59.3292 40.0600 175.6051 177 V 4.5232 8.2079 119.0051 59.6517 34.7989 174.3625 178 Y 4.7428 8.1887 120.7470 56.4261 41.3245 175.2896 179 G 3.9584 8.7776 107.0347 47.1488 0.0000 173.6542 180 M 4.7669 8.0443 118.6475 54.1180 34.1069 176.2258 181 I 4.4101 8.9851 123.8000 61.3391 38.7927 174.6609 182 Q 5.1633 9.4445 128.0821 54.6426 31.7080 174.3216 183 T 5.0970 8.8346 115.4048 59.9335 73.4728 173.1986 184 N 4.8792 8.3569 116.2921 52.8750 38.5567 174.6555 *190 V 4.4610 7.9906 117.2144 63.4559 32.4390 174.0273 191 C 4.5767 8.5385 120.4090 55.2978 42.7728 172.1122 192 A 4.6886 7.7689 121.3205 51.7568 21.5323 175.2884 192A Q 4.6332 9.0838 117.9603 53.0052 32.9639 173.4269 192B P 4.3377 0.0000 0.0000 64.6686 31.6707 176.1858 193 G 4.3758 8.8603 109.4840 46.5303 0.0000 174.5544 194 D 4.4787 8.4471 119.1364 56.2090 41.4467 176.7812 195 S 4.3758 7.9073 115.6519 60.2919 63.5533 175.3876 196 G 4.2979 8.8568 112.2257 46.4402 0.0000 173.7945 197 G 4.3125 7.4679 106.4086 45.3884 0.0000 173.0074 198 S 4.4386 8.4454 116.1352 57.9699 64.2605 173.1878 199 L 4.9883 9.1822 127.0144 53.2901 44.1640 175.1316 200 F 5.4346 8.8065 120.0760 55.8804 42.4293 173.3240 201 A 4.3800 8.9405 120.4434 49.9147 20.9901 176.5305 202 G 3.6915 8.8315 113.9750 48.0067 0.0000 173.4684 *207 S 5.0510 8.3701 119.2645 58.0849 65.7354 172.5086 208 T 5.0578 7.9188 118.0314 62.0126 70.5196 173.7407 209 A 4.2818 8.9615 129.7370 52.0137 19.0677 177.6059 210 L 4.6760 9.2472 120.9195 56.0668 45.4620 176.4909 211 G 4.6894 7.9649 103.3257 45.7690 0.0000 171.7996 212 L 5.5045 9.0458 119.7209 52.7246 45.0145 176.9173 213 T 3.6046 9.0630 121.1086 64.5958 68.9352 173.5897 214 S 4.3496 8.3779 120.9192 58.5492 63.8757 174.1552 215 G 4.0355 6.3308 103.5325 49.0074 0.0000 170.7431 216 G 4.2396 7.9381 106.2065 46.1385 0.0000 171.6756 217 S 4.7441 8.0551 113.4566 57.4016 66.4553 175.1256 218 G 4.0317 10.2335 108.1976 45.5873 0.0000 171.1379 219 N 4.8745 7.9703 115.9416 52.5626 40.2210 174.1702 220 C 4.6084 9.5481 116.8423 58.3653 40.1645 175.4009 221 R 4.3351 8.6110 119.8061 57.4135 30.3057 182.0653 222 T 4.2036 8.2041 106.2169 61.1148 70.0307 175.3131 223 G 3.8566 8.9827 109.5457 44.7714 0.0000 171.6009 224 G 4.6362 7.1137 102.6693 46.7967 0.0000 172.2213 225 T 4.9686 7.3775 114.5794 61.8296 71.2908 174.0927 226 T 4.8831 8.5633 115.0101 59.8166 72.7496 172.6376 227 F 5.5490 9.1818 121.2610 56.0946 42.5606 174.0008 228 Y 5.1315 9.3905 119.3288 56.0987 42.3332 174.4263 229 Q 4.6088 9.2213 124.9341 55.0055 30.7903 173.6996 230 P 4.8213 0.0000 0.0000 62.7339 32.0890 177.8150 231 V 3.8491 8.8456 124.4909 64.9443 31.3171 178.7472 232 T 3.7829 7.9430 110.1607 64.6929 68.4934 175.8964 233 E 3.8628 7.9007 120.9696 58.8309 29.3375 178.6743 234 A 2.6808 7.6761 120.3596 54.6543 18.4768 179.4115 235 L 3.9422 8.0189 118.0053 58.0070 41.5149 179.9974 235A S 4.1914 8.1741 113.9242 61.1101 62.7781 176.2120 236 A 3.7866 7.5490 123.7461 54.2890 18.0295 178.1367 237 Y 4.7966 7.0445 111.3951 56.5988 39.0938 175.7614 238 G 3.8184 7.7629 107.5265 46.8480 0.0000 173.5110 239 A 5.1836 8.2759 120.1181 50.0511 22.1276 177.3130 240 T 4.6874 8.5886 108.7012 59.6966 72.2209 174.0625 241 V 4.0374 8.3727 117.0917 61.3507 32.9330 176.3022 242 L 4.2174 8.4972 122.8534 55.0725 41.6381 176.7402 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 16 I 7.88 4.30 1.88 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 1.30 1.28 0.99 0.00 0.00 17 A 9.01 4.65 1.55 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 0.00 0.00 18 G 8.34 3.56 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 0.00 0.00 0.00 19 G 9.01 4.35 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 0.00 *29 E 7.93 4.71 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 30 A 8.64 4.85 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.80 4.91 2.05 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 1.28 0.81 0.93 0.00 0.00 32 T 8.95 5.35 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 1.26 0.00 0.00 33 T 8.50 4.19 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 0.22 0.00 0.00 34 G 8.74 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 G 8.65 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 0.00 0.00 0.00 40 S 8.19 4.73 0.00 3.69 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 41 R 8.46 5.13 0.00 1.86 1.74 0.00 3.16 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 42 C 9.29 5.25 0.00 2.90 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 43 S 8.83 5.40 0.00 3.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.96 3.73 0.00 1.67 1.63 0.93 1.00 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 45 G 9.09 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 0.00 0.00 0.00 46 F 7.51 5.09 0.00 2.99 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 47 N 8.97 5.17 0.00 2.83 2.78 0.00 0.00 6.81 7.68 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 48 V 9.23 4.94 2.21 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 0.78 0.00 0.00 0.98 0.00 0.00 48A S 9.40 5.20 0.00 3.82 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 48B V 8.73 4.38 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 1.01 0.00 0.00 0.78 0.00 0.00 48C N 9.82 4.15 0.00 2.88 2.85 0.00 0.00 7.22 7.65 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 48D G 7.84 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 49 V 7.77 4.05 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 1.01 0.00 0.00 1.01 0.00 0.00 50 A 8.50 4.64 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 51 H 9.69 5.46 0.00 3.03 3.22 0.00 5.76 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 52 A 9.24 5.16 1.08 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 53 L 9.03 4.86 0.00 1.90 1.69 1.07 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.38 4.43 4.03 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 0.82 0.00 0.00 55 A 8.47 4.50 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 56 G 9.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.22 3.73 0.00 2.15 1.31 0.00 5.56 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 6.94 4.49 0.00 3.12 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 59 T 7.71 3.82 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 58 N 7.02 4.68 0.00 3.02 3.02 0.00 0.00 6.99 7.42 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 59 I 7.56 3.64 1.90 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 1.52 0.83 0.53 0.00 0.00 64 S 7.15 4.73 0.00 3.60 3.30 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 65 A 8.53 4.40 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65A S 7.84 4.97 0.00 3.81 3.66 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 66 W 9.08 4.89 0.00 3.58 3.18 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 *84 S 8.52 4.45 0.00 4.05 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 85 I 8.31 4.23 1.87 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 1.40 0.88 0.96 0.00 0.00 86 G 6.54 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 87 T 7.66 5.11 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 1.30 0.00 0.00 88 R 9.18 4.46 0.00 1.99 1.96 0.00 3.28 0.00 0.00 3.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 89 T 8.49 4.58 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 90 G 7.68 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 91 T 8.11 4.95 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 *93 S 8.55 4.55 0.00 3.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.62 5.50 0.00 2.98 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 *99A P 0.00 3.09 0.00 1.93 0.89 0.00 3.69 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 100 N 7.96 4.61 0.00 3.02 2.90 0.00 0.00 7.54 6.48 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 0.00 101 N 7.28 5.02 0.00 2.46 2.40 0.00 0.00 6.27 8.08 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 0.00 102 D 8.96 5.28 0.00 2.88 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 0.00 103 Y 8.12 5.29 0.00 3.09 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 0.00 104 G 8.93 5.01 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 0.00 105 I 8.70 5.16 1.38 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.71 -0.02 0.00 0.00 106 I 8.46 4.91 1.66 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.32 0.85 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2.70 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 0.00 116 G 8.30 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 0.00 117 R 7.75 5.19 0.00 1.82 2.03 0.00 3.02 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 118 V 8.75 4.66 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 0.56 0.00 0.00 0.62 0.00 0.00 119 Y 8.79 4.15 0.00 2.65 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 0.00 120 L 7.92 4.23 0.00 1.74 1.56 0.90 1.16 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 120A Y 5.37 2.83 0.00 3.03 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 120B N 6.89 4.81 0.00 2.70 2.76 0.00 0.00 6.86 6.88 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 120C G 8.13 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 S 9.05 4.13 0.00 4.01 4.04 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 0.00 174 S 7.84 4.27 0.00 4.19 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 G 8.25 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 0.00 0.00 0.00 176 I 7.85 4.63 1.54 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 0.54 0.29 0.00 0.00 177 V 8.21 4.52 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 0.76 0.00 0.00 0.71 0.00 0.00 178 Y 8.19 4.74 0.00 2.86 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 0.00 179 G 8.78 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 0.00 0.00 0.00 180 M 8.04 4.77 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.76 0.00 181 I 8.99 4.41 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.70 0.93 0.00 0.00 182 Q 9.44 5.16 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 183 T 8.83 5.10 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 1.06 0.00 0.00 184 N 8.36 4.88 0.00 2.86 3.00 0.00 0.00 7.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *190 V 7.99 4.46 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 1.07 0.00 0.00 0.83 0.00 0.00 191 C 8.54 4.58 0.00 3.12 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 0.00 192 A 7.77 4.69 1.21 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 192A Q 9.08 4.63 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 192B P 0.00 4.34 0.00 2.02 1.99 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 193 G 8.86 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 0.00 0.00 0.00 0.00 194 D 8.45 4.48 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 7.91 4.38 0.00 3.85 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 0.00 196 G 8.86 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 0.00 0.00 0.00 0.00 197 G 7.47 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 0.00 0.00 0.00 198 S 8.45 4.44 0.00 3.82 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 0.00 199 L 9.18 4.99 0.00 1.41 1.56 0.26 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 200 F 8.81 5.43 0.00 3.43 3.38 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 0.00 201 A 8.94 4.38 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 0.00 202 G 8.83 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 *207 S 8.37 5.05 0.00 4.01 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 0.00 208 T 7.92 5.06 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 1.23 0.00 0.00 209 A 8.96 4.28 0.18 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 0.00 210 L 9.25 4.68 0.00 1.68 1.65 0.86 0.81 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 0.00 211 G 7.96 4.69 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 0.00 212 L 9.05 5.50 0.00 1.73 1.66 1.11 1.10 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 0.00 213 T 9.06 3.60 4.44 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 1.04 0.00 0.00 214 S 8.38 4.35 0.00 4.00 4.13 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 0.00 215 G 6.33 4.04 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 0.00 0.00 0.00 216 G 7.94 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 0.00 217 S 8.06 4.74 0.00 3.99 4.03 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 0.00 218 G 10.23 4.03 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 0.00 0.00 0.00 219 N 7.97 4.87 0.00 3.11 2.91 0.00 0.00 7.45 7.68 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 0.00 220 C 9.55 4.61 0.00 3.10 3.13 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 0.00 221 R 8.61 4.34 0.00 1.79 1.81 0.00 3.25 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 222 T 8.20 4.20 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 1.23 0.00 0.00 223 G 8.98 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 0.00 224 G 7.11 4.64 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 0.00 0.00 0.00 225 T 7.38 4.97 4.18 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 0.82 0.00 0.00 226 T 8.56 4.88 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 1.20 0.00 0.00 227 F 9.18 5.55 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 Y 9.39 5.13 0.00 2.92 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 9.22 4.61 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.81 2.64 0.00 230 P 0.00 4.82 0.00 2.31 2.05 0.00 3.81 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 231 V 8.85 3.85 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.02 0.00 0.00 232 T 7.94 3.78 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 233 E 7.90 3.86 0.00 2.22 2.19 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 2.42 2.38 0.00 234 A 7.68 2.68 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 0.00 235 L 8.02 3.94 0.00 1.78 1.87 0.85 1.11 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 235A S 8.17 4.19 0.00 4.00 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 0.00 236 A 7.55 3.79 0.63 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 0.00 237 Y 7.04 4.80 0.00 2.91 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 0.00 238 G 7.76 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 0.00 239 A 8.28 5.18 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 0.00 240 T 8.59 4.69 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 0.00 241 V 8.37 4.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.84 0.00 0.00 242 L 8.50 4.22 0.00 1.75 1.56 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.