NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 3.9788 8.1844 120.6166 50.2074 44.1395 176.0804 18 S 3.9938 7.9704 123.4805 57.3967 60.8417 168.0539 19 I 3.3573 7.9438 122.5741 61.5406 38.7251 176.7400 20 A 3.9385 7.8347 123.8710 54.9643 18.3007 177.6920 21 A 4.4307 7.4025 118.0857 50.9988 19.9366 177.6492 22 S 4.5835 10.1018 115.7133 57.7174 65.1126 173.8714 23 P 4.8556 0.0000 0.0000 66.1710 31.0894 179.1235 24 Q 4.2253 8.2561 116.7473 58.8797 28.7433 178.3448 25 E 4.0737 8.1814 118.8092 59.0103 29.8737 178.8198 26 L 3.9508 8.1226 121.4478 57.7560 42.1439 178.7972 27 R 3.8961 8.6700 119.1281 59.0277 29.9812 178.7741 28 R 3.9363 7.6444 118.3833 59.0051 30.1341 178.5267 29 Q 3.8978 8.0041 119.3652 59.1079 29.0028 178.5068 30 V 3.6427 7.5127 120.5506 65.2499 31.4933 177.4644 31 E 3.8518 7.9636 119.0535 59.2606 29.2222 178.4119 32 E 3.8600 8.1206 119.0400 59.3959 29.3805 178.4221 33 Q 4.0200 8.1354 118.2411 59.4545 28.8699 179.6890 34 S 4.0007 8.3893 116.1286 61.5650 62.9373 176.8522 35 R 4.4301 8.0070 121.3709 57.9229 29.4927 178.9330 36 L 4.0431 7.3778 118.5861 57.3649 41.3033 179.1361 37 L 4.1398 7.7828 119.3895 58.0530 41.3652 179.6617 38 T 3.6006 7.5863 108.5291 64.2119 68.4465 176.1438 39 A 3.7946 7.6629 123.1938 54.8356 18.4738 179.1095 40 A 4.0161 7.5632 117.7623 52.9815 18.7557 177.8896 41 V 4.1997 6.6218 116.1204 59.6087 33.8154 174.9017 42 Q 4.3411 8.5909 124.0126 54.4906 29.6372 174.5367 43 E 4.5783 8.4957 125.4023 53.7064 30.9911 174.3161 44 P 4.4725 0.0000 0.0000 62.6837 32.1183 176.1994 45 I 4.4954 7.9401 119.6044 59.4579 40.8919 174.5278 46 A 4.2047 8.8532 129.2861 55.2063 18.9283 176.5342 47 E 4.9640 8.0679 114.2993 56.3697 33.9648 174.9762 48 T 5.6369 8.4620 111.6357 59.9274 72.4332 173.3116 49 R 4.5707 8.0948 122.1301 55.3896 33.5443 173.2237 50 D 4.9202 8.7765 126.9036 53.8940 41.9695 176.1870 51 V 4.5457 9.1394 116.3528 59.7509 35.9919 174.3649 52 H 4.7421 8.6092 118.2364 54.2972 31.0323 173.4316 53 I 3.8276 8.1349 125.5437 58.8413 38.7280 173.9118 54 P 4.7774 0.0000 0.0000 62.7853 32.1347 176.1190 55 V 4.4805 9.5767 117.2881 59.3995 36.0226 174.5792 56 S 4.3433 8.4443 117.3014 60.6156 62.5616 175.0913 57 G 4.0225 8.3890 113.9853 44.8021 0.0000 172.1411 58 G 3.9814 6.4412 109.1507 44.2677 0.0000 173.6960 59 S 5.0203 8.1580 120.4769 56.6342 66.4614 173.3039 60 I 4.6280 8.4129 113.6640 59.0177 40.9533 175.2328 61 R 4.5433 8.3233 121.7527 56.3767 31.7920 175.0873 62 A 4.9292 8.2507 120.5389 50.8951 23.3998 175.2979 63 R 4.5965 8.5245 120.4167 54.4216 33.0663 174.4489 64 V 4.4469 8.4513 127.1877 61.8465 33.2959 173.9394 65 Y 4.7453 9.1394 126.2726 56.4260 39.9799 174.6251 66 F 4.8860 8.7884 124.5197 55.3295 40.2021 175.5404 67 P 4.2896 0.0000 0.0000 65.1441 31.5652 175.8223 68 K 4.5006 7.6824 114.9152 55.5498 35.3227 175.3011 69 K 4.2529 8.3351 118.2910 55.1836 31.5272 175.3257 70 A 4.4589 7.9991 124.8462 51.2393 22.1666 174.8557 71 A 4.6428 8.2955 122.0649 51.4353 21.0383 176.4899 72 G 3.9689 8.5034 105.3483 46.6136 0.0000 174.2067 73 L 4.5217 7.9760 119.1458 53.1729 43.3223 175.2831 74 P 4.9603 0.0000 0.0000 62.9360 33.0876 174.8312 75 A 5.3617 8.9518 121.7087 50.5717 23.3088 175.1530 76 V 4.8301 9.1208 119.3668 61.0604 34.9670 174.5986 77 L 4.6270 9.1982 128.6249 54.4050 43.0832 175.0919 78 Y 4.7035 8.6185 124.6753 55.7582 41.9758 173.6380 79 Y 5.0781 7.7921 124.5190 56.0135 40.5052 175.1581 80 H 4.6410 9.1616 120.5379 55.7866 29.6677 175.6819 81 G 3.8204 8.7009 107.3757 45.1485 0.0000 172.4698 82 G 3.8360 9.3170 111.8554 45.7125 0.0000 174.3094 83 G 2.0130 7.9298 107.7146 45.3764 0.0000 175.9266 84 F 4.0327 7.3334 116.2208 57.2385 36.7501 176.4198 85 V 4.3505 6.9329 117.1035 62.0002 33.5509 174.8010 86 F 5.1821 8.5931 118.2336 55.8755 41.5965 175.5814 87 G 4.2743 10.5887 105.6340 46.6178 0.0000 172.3199 88 S 4.3913 7.4445 112.3872 57.1715 65.1468 174.9258 89 I 3.9016 8.4594 120.9054 64.5620 37.0624 178.9383 90 E 4.0635 8.2056 119.5659 59.6179 29.5573 179.2022 91 T 3.8970 7.6950 114.5732 66.2138 68.7663 174.7061 92 H 4.9363 7.9680 115.9594 55.2794 29.7878 175.1554 93 D 4.6691 8.3183 123.9055 57.0140 40.8206 178.1552 94 H 4.1724 8.3392 115.0953 58.8530 28.7042 177.2373 95 I 3.3918 7.4058 122.8720 64.1224 36.8309 178.0399 96 C 3.5251 7.4991 117.0783 62.3448 27.6185 176.5018 97 R 3.6243 7.3939 119.6169 59.1073 29.7159 178.9873 98 R 3.7160 7.7864 118.4164 59.2613 30.1184 178.1465 99 L 3.7475 7.8328 120.4224 58.0683 41.9997 178.8499 100 S 3.9835 7.9948 113.5260 61.4815 62.1795 176.4543 101 R 4.0048 7.9238 117.3130 58.9882 29.2921 178.2625 102 L 4.1601 7.8907 119.3402 56.7643 41.8263 178.4695 103 S 4.3707 7.8641 112.2147 57.6917 64.1737 173.5116 104 D 4.4089 8.0557 121.1654 56.0367 38.2339 173.0964 105 S 4.9787 7.7227 112.1696 56.5710 67.4628 174.9000 106 V 4.1192 8.9249 122.4794 62.3026 32.6413 174.7963 107 V 4.8521 8.3983 128.2082 61.0409 34.0655 174.6531 108 V 4.8338 8.7951 127.3762 59.9627 34.0405 174.4285 109 S 4.8980 9.0315 121.8778 57.5926 63.6148 172.7829 110 V 4.3534 8.5418 128.1495 61.1377 32.3149 176.2600 111 D 4.7548 8.2271 131.4973 52.8511 38.4924 175.9263 112 Y 4.3054 7.6226 117.8820 56.8414 39.1378 177.3281 113 R 3.9821 8.7950 121.6737 56.5633 30.8918 176.4552 114 L 4.9610 8.4834 120.6937 53.2559 43.9340 175.8751 115 A 5.2784 8.9038 123.5375 49.7879 20.1270 176.9709 116 P 4.8285 0.0000 0.0000 64.3365 31.6720 177.4109 117 E 3.7357 8.0966 118.1590 59.1614 29.6528 176.2873 118 Y 4.4102 8.9326 117.8731 56.3736 39.2097 176.3076 119 K 4.5917 8.3215 124.5576 54.3600 33.8018 175.7514 120 F 3.5816 8.1169 122.2748 59.7113 39.1527 173.6174 121 P 3.7693 0.0000 0.0000 62.3441 29.1074 175.1158 122 T 4.2368 7.3159 115.5842 67.1594 68.2800 175.4914 123 A 4.0992 8.0946 121.4111 55.5232 18.3943 179.6147 124 V 3.3594 7.7006 115.9012 66.2519 31.5788 177.9619 125 E 3.9886 9.0111 119.3360 59.4412 29.1935 179.0692 126 D 4.3450 8.9196 119.9073 57.1492 40.8725 178.6249 127 A 4.1200 8.5802 121.5771 55.4969 18.4039 179.0658 128 Y 4.2178 8.3136 118.0441 60.8521 38.8522 178.0833 129 A 3.9316 8.3522 121.5946 55.1205 18.6018 179.4986 130 A 4.0352 8.4451 119.7030 55.0407 18.4495 179.7140 131 L 4.0290 7.9825 119.1294 58.3609 42.2514 179.3734 132 K 3.9368 7.9981 118.4957 58.9363 31.8144 179.1341 133 W 4.0747 8.3896 128.8207 60.3774 30.7827 178.1335 134 V 3.4717 8.0743 117.5733 66.1327 30.8209 177.8996 135 A 4.0497 7.5891 118.4589 55.2374 18.2309 179.0410 136 D 4.4000 7.9569 116.7218 56.6866 41.1123 178.0810 137 R 4.2132 7.4761 116.9956 55.9023 30.2588 178.1261 138 A 3.9334 7.2911 123.5451 55.4151 18.3972 180.4058 139 D 4.2344 7.9087 116.7555 57.6720 40.8101 178.7658 140 E 3.9881 8.0252 117.0769 59.0024 29.6197 177.8718 141 L 4.3752 7.8505 116.8968 54.7158 42.2052 177.1022 142 G 3.8624 8.0075 107.1553 46.4989 0.0000 173.3060 143 V 4.6540 8.1929 118.3867 60.6347 33.7794 174.9485 144 D 4.6894 8.9176 125.7223 51.7855 40.5733 175.0167 145 P 4.2013 0.0000 0.0000 65.9328 30.9979 177.0876 146 D 4.5983 8.3019 116.1506 55.2953 41.6517 176.3652 147 R 4.8000 8.2091 118.4167 54.9501 29.6721 174.6273 148 I 5.1739 7.5900 120.3623 59.4761 41.6939 175.9590 149 A 5.2610 8.9637 125.7973 50.4383 23.2764 175.1007 150 V 4.9883 8.4223 110.8029 60.1021 36.0578 175.0229 151 A 5.3086 7.5810 123.2013 51.7308 23.2402 175.4178 152 G 3.6426 7.4071 106.6642 46.0282 0.0000 171.4583 153 D 5.7977 7.2680 118.6402 50.3157 42.9192 175.9551 154 S 4.0758 9.3315 114.6918 58.5605 62.4927 174.9050 155 A 3.3868 8.4129 120.4413 54.5102 17.3792 179.7741 156 G 4.0449 7.5700 106.0745 47.3297 0.0000 176.2401 157 G 3.4925 7.7859 108.0277 47.2823 0.0000 175.2570 158 N 4.1459 7.9178 118.8257 56.5985 39.0106 176.4410 159 L 3.6994 7.8079 119.9255 57.8872 41.6775 179.5902 160 A 3.9664 7.7913 120.0913 55.1007 18.3788 179.6117 161 A 4.3462 8.1802 121.0643 54.7844 18.3994 180.1070 162 V 3.6089 8.2504 117.2424 66.1143 31.6321 178.3431 163 V 3.5917 8.2817 118.4020 66.2089 31.3316 178.1805 164 S 4.2748 8.1912 114.8773 61.6061 62.6663 176.7962 165 I 3.7473 7.7327 122.3894 64.2828 36.8724 178.4568 166 L 3.8300 8.2345 120.2405 57.8708 41.1603 179.1094 167 D 4.5762 8.3205 116.9729 57.1890 41.2908 178.1927 168 R 4.0340 8.0021 119.2930 59.6156 30.0219 178.1369 169 N 4.2739 8.3799 115.3629 56.3063 38.5589 177.0862 170 S 4.3932 8.0722 114.4704 58.8611 63.3223 175.0835 171 G 3.9410 7.9885 110.1577 46.5306 0.0000 174.4016 172 E 4.2043 8.1021 120.1167 56.0447 29.9293 176.8601 173 K 3.9552 8.1433 116.2626 57.3299 29.6488 176.8662 174 L 4.0396 8.8897 121.2012 57.3737 41.7801 178.0047 175 V 4.0142 8.3786 119.3123 62.0865 31.1840 175.4531 176 K 4.3815 8.8210 128.0582 58.1292 33.0233 177.0462 177 K 4.8581 7.7091 119.1737 55.3806 35.8083 174.1933 178 Q 5.0268 9.0738 122.4988 54.5375 32.3365 173.7669 179 V 4.5256 8.8715 123.7922 61.1759 33.9334 174.1492 180 L 4.6825 8.9820 129.5077 53.1805 43.8063 175.7474 181 I 4.1297 8.4184 126.8240 60.2545 38.4904 176.5867 182 Y 4.0385 8.8282 129.2695 57.3208 37.3247 170.4836 183 P 4.5759 0.0000 0.0000 63.3426 32.6362 176.4447 184 V 4.3025 8.1057 120.1459 60.5707 32.4643 175.9657 185 V 4.2101 9.5297 117.4234 60.7261 32.7607 174.3994 186 N 5.0203 7.8271 117.2730 51.8637 42.2390 172.4281 *188 T 3.8263 8.1345 110.2769 61.0930 69.5501 174.0728 189 G 3.6684 8.3807 108.6929 46.5260 0.0000 174.5122 190 V 3.7392 7.3728 119.8303 61.8851 30.0099 173.7664 191 P 4.5158 0.0000 0.0000 62.5033 32.1187 175.9416 192 T 4.6266 7.9442 108.5378 59.2678 72.6786 174.9720 193 A 3.9161 8.2965 122.1657 55.3654 18.3941 179.9528 194 S 3.6115 8.2633 112.8420 61.1612 63.0266 176.0410 195 L 4.2946 8.3582 125.7963 57.3674 41.7552 179.3477 196 V 3.5977 7.5079 117.5560 65.6816 31.0763 177.3132 197 E 3.7367 8.0050 119.1598 59.1833 29.1697 178.3281 198 F 4.7578 7.6074 114.4687 58.3256 39.9141 178.0519 199 G 3.7698 8.0049 106.0417 47.4262 0.0000 175.5975 200 V 3.9019 7.7560 118.4922 63.0372 32.0473 176.1938 201 A 4.1874 6.7780 120.6830 52.4393 18.8367 177.1514 202 E 4.0991 8.7391 120.8829 58.9079 30.2460 177.5458 203 T 4.3846 7.6096 108.8020 61.6777 69.1194 174.1875 204 T 4.5745 7.6361 115.1357 61.4854 69.5378 173.6082 205 S 4.6165 8.5573 120.9747 58.5144 64.1710 174.3268 206 L 4.7982 7.5861 121.7851 52.3802 42.0395 173.6428 207 P 4.5697 0.0000 0.0000 62.5198 32.4454 177.7792 208 I 3.8857 8.2691 121.8578 63.9384 38.4535 177.3199 209 E 4.1322 8.2768 118.3358 59.2753 29.7086 178.9267 210 L 3.7626 7.4683 119.0046 54.9873 41.6430 178.6396 *212 V 4.0862 7.9400 118.4830 62.1783 33.4401 177.1488 213 W 4.1715 8.3038 129.0486 60.2794 30.3181 177.9363 214 F 4.3699 8.5932 118.0945 60.6678 38.4485 177.7605 215 G 3.7154 8.3323 104.7345 48.0948 0.0000 175.7608 216 R 4.1296 7.5988 119.1957 58.6798 30.3318 178.4694 217 Q 3.8991 7.6475 119.3812 58.3702 28.9972 177.1608 218 Y 4.2756 8.1259 120.7283 59.0611 39.2783 175.2036 219 L 4.3494 7.6377 119.0355 53.5776 42.9793 176.9442 220 K 4.0290 8.8540 122.0086 58.8849 33.4287 177.3676 221 R 4.4301 8.4707 124.6011 53.6747 30.6105 175.7847 222 P 4.0145 0.0000 0.0000 64.6269 32.9466 177.1143 223 E 4.8185 8.8703 117.1067 56.3700 30.1199 177.4946 224 E 4.0856 7.7782 119.6631 58.4966 29.9350 178.5032 225 A 3.8137 7.1107 120.0012 54.6999 18.3325 177.8607 226 Y 4.3263 7.1702 111.0833 58.5974 38.6203 175.5005 227 D 4.6588 8.2017 121.9006 53.3794 41.6867 177.0946 228 F 4.4393 8.9595 120.4462 59.7788 37.9924 176.8257 229 K 3.8867 7.3151 118.4495 57.1466 31.9734 177.0652 230 A 4.4666 7.6552 120.5535 52.7126 21.2754 176.7313 231 S 4.8140 7.9285 111.8273 55.4003 63.0749 172.6474 232 P 4.5835 0.0000 0.0000 64.6098 31.7130 178.6313 233 L 4.3900 7.9831 118.9372 57.5795 42.0249 177.6140 234 L 4.2341 8.1695 116.7682 55.7870 41.9404 176.7041 235 A 4.3132 7.7470 122.0339 50.8575 19.6268 176.0390 236 D 4.5243 8.2639 119.1088 53.9417 41.3136 175.6114 237 L 4.4924 8.3523 126.4860 54.5471 41.9602 176.8582 238 G 3.7427 7.5401 106.6170 45.9605 0.0000 174.5687 239 G 3.8105 8.6173 108.5615 46.0331 0.0000 173.6991 240 L 4.5351 7.9443 119.3605 52.3478 43.1953 174.8223 241 P 4.5638 0.0000 0.0000 61.5929 32.3868 174.7136 242 P 4.5006 0.0000 0.0000 63.4841 32.4559 174.8777 243 A 5.2873 9.4919 125.4149 49.9760 22.4068 174.7304 244 L 4.9567 8.7710 123.4183 53.3573 44.8209 175.1547 245 V 4.8506 9.3656 127.8937 61.1411 34.0249 174.1995 246 V 5.1100 8.9718 128.7257 61.4754 33.6800 174.5208 247 T 5.2780 9.3864 117.1772 59.9419 73.0482 172.2147 248 A 5.0213 8.4587 122.2184 49.8759 21.5447 177.0698 249 E 3.6396 8.7215 122.4333 58.8202 29.6975 177.5848 250 Y 2.6853 7.2539 114.1539 56.8445 38.5334 174.4350 251 D 4.7606 7.5760 120.1786 52.2604 42.2393 175.6270 252 P 4.8853 0.0000 0.0000 65.7627 31.7162 177.8444 253 L 4.3023 8.8310 118.5669 55.7434 41.5454 178.4379 254 R 3.9742 8.1198 119.9830 60.0355 29.9143 177.6622 255 D 4.4295 8.5737 118.4168 57.4892 41.0024 178.8827 256 E 4.2718 8.3660 117.5500 59.1114 29.5117 179.3575 257 G 3.6451 8.1937 106.9643 47.9682 0.0000 175.7182 258 E 4.1688 8.3783 121.6767 58.8681 29.3864 179.2860 259 L 4.1055 8.7654 119.5500 58.0426 41.4602 178.9800 260 Y 3.9775 8.1155 118.2271 60.6354 38.8507 177.6498 261 A 4.1795 7.7837 120.1645 55.2058 18.7809 178.6451 262 Y 4.2055 8.3007 118.1880 60.6239 38.6733 179.4228 263 K 3.5889 8.0916 118.9748 56.7044 32.5217 178.0603 *265 K 4.8207 8.3127 119.0639 55.9994 33.6223 177.5044 266 A 3.9047 7.6921 119.9941 54.2451 18.4569 178.0059 267 S 4.4514 7.8218 111.1127 58.1591 63.1869 175.7494 268 G 4.0453 8.0788 109.5563 44.9285 0.0000 173.8961 269 S 4.7254 7.5163 115.5020 57.2181 65.4448 173.3024 270 R 4.7163 8.3824 121.2719 55.6627 31.4076 175.3748 271 A 5.2511 8.2987 123.6774 50.7795 22.5991 175.5083 272 V 4.5172 9.0564 119.8328 61.1116 35.2030 173.8815 273 A 5.3760 8.8332 128.8939 50.1415 21.4507 175.4263 274 V 4.4230 9.2301 122.2345 60.9645 34.7305 174.0611 275 R 5.1079 8.6479 127.9070 54.7092 31.9959 174.8384 276 F 4.2971 9.4163 126.0874 56.2755 40.2060 175.4126 277 A 4.2976 8.5392 126.1860 52.0014 19.1007 176.7846 278 G 3.6340 9.3907 108.1415 46.6401 0.0000 172.9940 *280 V 3.8679 7.1087 111.1784 60.6583 33.3092 174.9744 281 H 3.9968 7.8667 119.8772 57.2151 30.0373 175.2549 282 G 3.8571 6.5417 113.6775 45.3676 0.0000 175.0869 283 F 4.4479 7.6778 115.2496 59.4126 38.3421 177.9170 284 V 3.3877 7.6234 121.6068 65.7258 31.4077 178.1302 285 S 4.0945 7.9262 115.1536 61.2295 62.8309 174.9560 286 F 4.7121 8.4012 118.1762 57.2834 38.8734 176.8732 287 Y 4.5115 8.2068 122.9253 59.9886 37.5500 177.2920 288 P 4.0807 0.0000 0.0000 64.4561 31.3865 176.9471 289 F 4.7728 8.2107 115.1575 57.3145 40.2292 175.6966 290 V 4.4398 7.4815 119.5263 60.7197 32.9057 175.2731 291 D 4.5086 9.2300 128.0046 57.9368 40.6049 178.9333 292 A 4.3608 8.3293 120.4339 55.2321 18.3790 179.7604 293 G 3.7799 8.6538 104.5751 47.9786 0.0000 176.0417 294 R 3.9125 8.0418 120.5959 59.2839 30.2472 178.3103 295 E 4.0699 8.6966 118.4512 59.2972 29.4832 179.1364 296 A 4.0294 8.4976 121.2510 55.1179 18.2910 179.4501 297 L 3.7621 7.8936 118.7896 58.3644 42.1138 178.9870 298 D 4.2852 8.1224 118.9176 56.8401 40.6926 178.5826 299 L 3.9476 8.0608 120.9123 58.0096 42.1063 178.6064 300 A 3.9418 8.0592 120.5017 55.4147 18.3415 179.5223 301 A 3.8596 8.2371 119.0763 55.2169 18.4038 179.7317 302 A 3.9816 8.0529 119.4007 55.0975 18.4065 179.8629 303 S 4.0746 8.6484 112.2246 61.4442 62.4314 176.5060 304 I 3.6719 8.0485 122.8027 64.3153 36.6778 177.9558 305 R 3.8977 7.7752 118.3892 59.8506 30.0036 178.2559 306 S 4.3698 8.2372 113.7993 61.4444 62.7993 176.5885 307 G 3.6496 8.1813 108.3296 46.5587 0.0000 174.6436 308 L 4.5611 7.6080 118.9743 53.5208 42.3297 176.6542 309 Q 4.1190 7.2631 119.4180 55.0487 29.1932 174.7953 310 P 4.1987 0.0000 0.0000 63.6397 32.1025 177.2311 *311 S 4.2715 8.4444 115.4990 58.5090 62.9013 174.6899 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 17 L 8.18 3.98 0.00 1.55 1.47 0.95 0.59 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 18 S 7.97 3.99 0.00 3.92 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 19 I 7.94 3.36 0.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.49 -0.17 0.00 0.00 20 A 7.83 3.94 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 21 A 7.40 4.43 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 S 10.10 4.58 0.00 4.11 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 23 P 0.00 4.86 0.00 2.37 2.38 0.00 3.76 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 2.23 2.59 0.00 24 Q 8.26 4.23 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 25 E 8.18 4.07 0.00 2.16 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 2.48 2.33 0.00 26 L 8.12 3.95 0.00 2.19 2.01 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.67 3.90 0.00 2.32 2.29 0.00 3.27 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 28 R 7.64 3.94 0.00 2.05 1.94 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 29 Q 8.00 3.90 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 30 V 7.51 3.64 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.24 0.00 0.00 31 E 7.96 3.85 0.00 2.30 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 2.30 2.34 0.00 32 E 8.12 3.86 0.00 2.06 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 0.00 2.28 2.33 0.00 33 Q 8.14 4.02 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 34 S 8.39 4.00 0.00 3.76 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 35 R 8.01 4.43 0.00 1.82 1.93 0.00 3.10 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 36 L 7.38 4.04 0.00 1.77 1.75 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.78 4.14 0.00 1.75 1.42 -0.08 0.28 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 38 T 7.59 3.60 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 1.02 0.00 0.00 39 A 7.66 3.79 1.37 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 0.00 0.00 40 A 7.56 4.02 1.11 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 41 V 6.62 4.20 1.77 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 0.58 0.00 0.00 1.00 0.00 0.00 42 Q 8.59 4.34 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 43 E 8.50 4.58 0.00 1.98 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 2.28 2.36 0.00 44 P 0.00 4.47 0.00 2.05 2.00 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 45 I 7.94 4.50 1.96 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 1.44 0.62 1.13 0.00 0.00 46 A 8.85 4.20 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 47 E 8.07 4.96 0.00 2.02 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 2.15 2.13 0.00 48 T 8.46 5.64 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 0.93 0.00 0.00 49 R 8.09 4.57 0.00 2.13 1.88 0.00 3.26 0.00 0.00 3.74 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 50 D 8.78 4.92 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 9.14 4.55 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 1.01 0.00 0.00 0.55 0.00 0.00 52 H 8.61 4.74 0.00 2.97 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.13 3.83 1.48 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.24 0.49 0.00 0.00 54 P 0.00 4.78 0.00 2.01 2.03 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 55 V 9.58 4.48 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 0.80 0.00 0.00 0.89 0.00 0.00 56 S 8.44 4.34 0.00 3.86 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 57 G 8.39 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 58 G 6.44 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 59 S 8.16 5.02 0.00 3.81 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 60 I 8.41 4.63 1.98 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 1.25 0.77 0.82 0.00 0.00 61 R 8.32 4.54 0.00 1.68 1.73 0.00 3.09 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 62 A 8.25 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.52 4.60 0.00 1.79 1.63 0.00 2.84 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 64 V 8.45 4.45 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.99 0.00 0.00 65 Y 9.14 4.75 0.00 2.71 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 66 F 8.79 4.89 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.29 0.00 2.21 2.46 0.00 3.94 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 68 K 7.68 4.50 0.00 1.85 1.84 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.49 7.81 69 K 8.34 4.25 0.00 1.72 1.76 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.63 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.36 7.81 70 A 8.00 4.46 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 71 A 8.30 4.64 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 72 G 8.50 3.97 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 0.00 0.00 0.00 73 L 7.98 4.52 0.00 1.84 1.64 1.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.96 0.00 2.12 2.18 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 75 A 8.95 5.36 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 76 V 9.12 4.83 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 1.08 0.00 0.00 0.93 0.00 0.00 77 L 9.20 4.63 0.00 1.50 1.09 0.90 0.55 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 78 Y 8.62 4.70 0.00 2.94 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 79 Y 7.79 5.08 0.00 2.82 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 80 H 9.16 4.64 0.00 2.85 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.70 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 82 G 9.32 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 83 G 7.93 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 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.33 4.03 0.00 2.83 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 85 V 6.93 4.35 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.95 0.00 0.00 86 F 8.59 5.18 0.00 3.29 2.93 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 87 G 10.59 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 0.00 0.00 0.00 88 S 7.44 4.39 0.00 3.88 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 89 I 8.46 3.90 1.86 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 1.31 1.35 0.96 0.00 0.00 90 E 8.21 4.06 0.00 1.98 1.98 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 2.38 2.26 0.00 91 T 7.69 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 92 H 7.97 4.94 0.00 3.32 3.22 0.00 5.82 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.32 4.67 0.00 3.02 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 94 H 8.34 4.17 0.00 3.51 3.46 0.00 5.53 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 95 I 7.41 3.39 1.68 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 1.49 0.30 0.42 0.00 0.00 96 C 7.50 3.53 0.00 2.02 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.39 3.62 0.00 1.94 1.95 0.00 3.19 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 98 R 7.79 3.72 0.00 1.80 1.69 0.00 2.26 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 99 L 7.83 3.75 0.00 1.62 1.55 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 100 S 7.99 3.98 0.00 3.83 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 0.00 101 R 7.92 4.00 0.00 1.99 2.03 0.00 3.10 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 102 L 7.89 4.16 0.00 1.57 1.71 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.86 4.37 0.00 4.03 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 0.00 104 D 8.06 4.41 0.00 2.88 2.81 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 0.00 105 S 7.72 4.98 0.00 3.68 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 0.00 106 V 8.92 4.12 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 0.67 0.00 0.00 1.06 0.00 0.00 107 V 8.40 4.85 1.95 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 0.80 0.00 0.00 0.81 0.00 0.00 108 V 8.80 4.83 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.96 0.00 0.00 109 S 9.03 4.90 0.00 4.12 4.01 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 0.00 110 V 8.54 4.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.90 0.00 0.00 111 D 8.23 4.75 0.00 2.75 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 0.00 112 Y 7.62 4.31 0.00 3.09 3.02 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 0.00 113 R 8.80 3.98 0.00 1.80 1.50 0.00 2.21 0.00 0.00 2.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.39 0.00 114 L 8.48 4.96 0.00 1.84 1.70 1.11 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.90 5.28 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.83 0.00 2.15 2.10 0.00 3.47 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 117 E 8.10 3.74 0.00 2.14 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 2.33 2.39 0.00 118 Y 8.93 4.41 0.00 3.26 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.32 4.59 0.00 1.77 1.79 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.56 1.42 7.81 120 F 8.12 3.58 0.00 1.51 2.51 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 0.00 0.00 0.00 0.00 121 P 0.00 3.77 0.00 1.81 1.54 0.00 3.58 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 0.00 122 T 7.32 4.24 4.36 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 1.23 0.00 0.00 123 A 8.09 4.10 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 0.00 124 V 7.70 3.36 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 1.02 0.00 0.00 0.96 0.00 0.00 125 E 9.01 3.99 0.00 2.04 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 2.43 0.00 126 D 8.92 4.35 0.00 2.83 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 0.00 127 A 8.58 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.31 4.22 0.00 2.99 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 0.00 129 A 8.35 3.93 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 0.00 0.00 0.00 130 A 8.45 4.04 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.98 4.03 0.00 1.98 1.93 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.00 3.94 0.00 1.87 1.76 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.19 0.73 7.81 133 W 8.39 4.07 0.00 3.50 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.07 3.47 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 0.99 0.00 0.00 1.25 0.00 0.00 135 A 7.59 4.05 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 0.00 136 D 7.96 4.40 0.00 2.50 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 0.00 137 R 7.48 4.21 0.00 0.91 1.19 0.00 2.68 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.45 0.00 138 A 7.29 3.93 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 0.00 139 D 7.91 4.23 0.00 2.65 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 0.00 140 E 8.03 3.99 0.00 2.00 1.98 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 2.27 2.26 0.00 141 L 7.85 4.38 0.00 1.81 1.83 0.87 0.96 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 0.00 142 G 8.01 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 0.00 143 V 8.19 4.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.98 0.00 0.00 144 D 8.92 4.69 0.00 2.71 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 0.00 145 P 0.00 4.20 0.00 2.20 2.17 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 146 D 8.30 4.60 0.00 2.84 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 0.00 147 R 8.21 4.80 0.00 1.83 1.83 0.00 3.11 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 148 I 7.59 5.17 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.99 0.00 0.00 149 A 8.96 5.26 1.26 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 0.00 0.00 150 V 8.42 4.99 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.06 0.00 0.00 151 A 7.58 5.31 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 7.41 3.64 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 0.00 153 D 7.27 5.80 0.00 2.44 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 9.33 4.08 0.00 4.28 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.41 3.39 -0.36 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 G 7.57 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 0.00 157 G 7.79 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 7.92 4.15 0.00 2.95 3.10 0.00 0.00 7.20 6.66 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 0.00 159 L 7.81 3.70 0.00 1.37 0.88 -0.28 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.79 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.18 4.35 1.26 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 0.00 0.00 162 V 8.25 3.61 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 0.97 0.00 0.00 1.07 0.00 0.00 163 V 8.28 3.59 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 1.15 0.00 0.00 0.86 0.00 0.00 164 S 8.19 4.27 0.00 4.20 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 0.00 165 I 7.73 3.75 2.18 0.00 0.00 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 1.57 0.75 0.83 0.00 0.00 166 L 8.23 3.83 0.00 1.13 0.66 0.57 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.32 4.58 0.00 2.89 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 0.00 168 R 8.00 4.03 0.00 2.04 2.05 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 169 N 8.38 4.27 0.00 2.62 2.82 0.00 0.00 7.17 7.59 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 0.00 170 S 8.07 4.39 0.00 4.16 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 0.00 171 G 7.99 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 0.00 0.00 0.00 172 E 8.10 4.20 0.00 2.19 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 2.36 2.36 0.00 173 K 8.14 3.96 0.00 1.90 1.91 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.52 7.81 174 L 8.89 4.04 0.00 1.81 1.77 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.38 4.01 2.22 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 0.86 0.00 0.00 1.09 0.00 0.00 176 K 8.82 4.38 0.00 1.79 1.86 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.68 7.81 177 K 7.71 4.86 0.00 1.82 1.61 0.00 1.68 0.00 0.00 2.01 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.64 7.81 178 Q 9.07 5.03 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 179 V 8.87 4.53 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 0.95 0.00 0.00 0.95 0.00 0.00 180 L 8.98 4.68 0.00 1.59 1.50 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 181 I 8.42 4.13 1.51 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 1.06 0.48 -0.26 0.00 0.00 182 Y 8.83 4.04 0.00 3.30 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 0.00 183 P 0.00 4.58 0.00 2.05 2.00 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 184 V 8.11 4.30 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 0.74 0.00 0.00 0.98 0.00 0.00 185 V 9.53 4.21 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 0.13 0.00 0.00 1.03 0.00 0.00 186 N 7.83 5.02 0.00 2.63 2.80 0.00 0.00 7.05 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 *188 T 8.13 3.83 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 0.80 0.00 0.00 189 G 8.38 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 0.00 0.00 0.00 190 V 7.37 3.74 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.02 0.00 0.00 191 P 0.00 4.52 0.00 2.22 2.07 0.00 3.79 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 1.99 1.96 0.00 192 T 7.94 4.63 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 1.25 0.00 0.00 193 A 8.30 3.92 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 0.00 194 S 8.26 3.61 0.00 4.24 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 0.00 195 L 8.36 4.29 0.00 1.69 1.91 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.51 3.60 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 0.91 0.00 0.00 0.92 0.00 0.00 197 E 8.00 3.74 0.00 1.89 1.12 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 1.74 1.96 0.00 198 F 7.61 4.76 0.00 3.23 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 0.00 199 G 8.00 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 0.00 0.00 0.00 200 V 7.76 3.90 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.97 0.00 0.00 201 A 6.78 4.19 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 288 P 0.00 4.08 0.00 0.94 1.53 0.00 3.45 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 0.00 289 F 8.21 4.77 0.00 3.27 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 0.00 290 V 7.48 4.44 2.35 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 1.17 0.00 0.00 1.11 0.00 0.00 291 D 9.23 4.51 0.00 2.81 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 0.00 292 A 8.33 4.36 1.45 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 0.00 0.00 293 G 8.65 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 0.00 0.00 0.00 294 R 8.04 3.91 0.00 2.01 2.17 0.00 3.39 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 295 E 8.70 4.07 0.00 2.39 2.22 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 2.65 2.62 0.00 296 A 8.50 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 297 L 7.89 3.76 0.00 1.79 1.52 0.67 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 298 D 8.12 4.29 0.00 2.99 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 0.00 299 L 8.06 3.95 0.00 1.91 1.96 0.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 300 A 8.06 3.94 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 0.00 301 A 8.24 3.86 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 0.00 302 A 8.05 3.98 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 0.00 303 S 8.65 4.07 0.00 3.99 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 0.00 304 I 8.05 3.67 1.99 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 1.41 0.42 0.91 0.00 0.00 305 R 7.78 3.90 0.00 1.99 2.11 0.00 3.26 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 306 S 8.24 4.37 0.00 4.11 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 0.00 307 G 8.18 3.65 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 0.00 0.00 0.00 308 L 7.61 4.56 0.00 1.68 1.70 0.97 0.76 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 0.00 309 Q 7.26 4.12 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.86 0.00 0.00 0.00 0.00 0.00 2.69 2.48 0.00 310 P 0.00 4.20 0.00 2.04 2.00 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 *311 S 8.44 4.27 0.00 3.60 3.68 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 * Residues marked with a * may have inaccurate shift predictions.