NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2912 8.3027 120.2270 55.8428 30.9881 174.1721 2 V 4.1070 7.9766 121.1590 62.4805 32.2589 173.8191 3 K 4.6852 9.9521 127.6105 54.8047 36.4774 174.9841 4 L 5.0933 8.5694 123.2130 52.9340 43.4824 174.3896 5 L 4.4574 8.7562 122.9925 53.4694 42.5859 176.0336 6 E 5.0592 8.8146 124.0168 56.4395 30.9015 175.9331 7 S 4.5156 9.4262 116.0748 57.9726 66.7044 175.1321 8 G 3.9833 9.2259 107.0661 45.3130 0.0000 174.2209 9 G 4.2203 7.0681 107.8148 44.1155 0.0000 172.5375 10 G 3.5758 7.4976 104.9493 44.5303 0.0000 171.7232 11 L 4.7151 8.1567 124.5963 54.7952 42.9220 177.5017 12 A 4.8643 9.1082 127.3825 50.1927 22.9556 175.0267 13 Q 4.7359 8.5059 118.5995 54.2515 30.7442 174.0326 14 P 4.6198 0.0000 0.0000 64.3908 31.8984 176.1365 15 G 4.0257 9.3030 111.5839 45.3558 0.0000 174.0056 16 G 4.0207 7.8562 106.9443 45.8891 0.0000 172.6559 17 S 5.1832 8.1329 114.1415 56.6714 66.1878 173.0283 18 L 4.3889 8.5694 120.0630 53.8638 45.8412 173.4869 19 K 4.7808 8.5434 126.4866 54.7182 34.0993 175.2234 20 L 4.8137 8.6841 128.6132 54.1274 43.6607 176.0509 21 S 5.4528 9.1829 115.3424 57.6082 67.4877 172.2083 22 C 5.2459 8.8466 119.7169 55.6542 46.4041 172.1613 23 A 5.0403 8.9208 128.3204 50.1077 20.9956 175.1135 24 A 5.3652 8.3104 124.0037 50.2619 21.8933 175.5764 25 S 4.2428 8.7246 114.3032 57.8372 67.0500 175.1684 26 G 4.2863 10.7867 107.2700 46.5048 0.0000 172.7607 27 F 4.8831 6.9011 112.2400 55.6431 40.6333 174.6055 28 D 4.6567 8.7592 121.7321 52.5970 39.5265 175.7472 29 F 4.0718 8.2879 126.0804 60.9356 39.7322 177.3389 30 R 3.9610 8.3077 117.7462 59.1722 29.8518 177.4278 31 R 4.2468 8.2218 114.5280 56.6830 30.7712 175.6478 32 Y 4.8675 7.4495 115.7015 55.6426 40.1235 176.0082 33 W 4.3228 9.0767 122.7463 57.1653 30.6481 174.9972 34 M 5.2468 9.1625 122.2252 54.0072 35.6238 174.7824 35 T 5.1336 8.7518 117.1032 61.7283 73.6503 172.7693 36 W 5.1722 8.7437 123.7260 55.0577 31.9313 175.2082 37 V 5.1629 9.1856 123.4112 61.2238 35.0506 174.2105 38 R 4.8917 8.9916 121.0312 54.5909 33.6436 174.1626 39 Q 4.8480 8.9549 120.8821 54.3511 31.9857 174.2198 40 A 4.6655 8.6238 128.5698 50.9273 20.1281 174.7387 41 P 4.3279 0.0000 0.0000 64.0700 31.6831 176.9391 42 G 3.9560 9.0467 110.2738 46.0646 0.0000 172.4212 43 K 4.6562 7.8840 118.4145 53.9535 35.5885 175.3977 44 G 4.0015 8.2808 108.8656 44.8064 0.0000 172.9495 45 L 4.6569 8.1511 118.5924 54.3767 43.0525 176.9007 46 E 4.6446 9.1729 122.5329 53.9946 32.7028 174.4445 47 W 4.5195 9.1614 135.0000 58.2560 31.0475 175.1714 48 I 3.6764 8.1756 128.4483 61.6799 38.1763 176.0005 49 G 3.2264 6.1346 105.9572 45.8249 0.0000 170.8358 50 E 5.4153 8.1867 116.4752 54.8460 33.4868 174.2767 51 I 4.9342 8.8870 121.3798 59.1980 41.8935 174.5747 52 N 3.1748 7.9983 126.1130 50.6614 38.6602 174.2287 52A P 3.9173 0.0000 0.0000 65.6338 29.9824 177.3169 53 D 4.6070 7.7784 114.9616 52.6117 39.4758 176.5391 54 S 3.6871 7.6382 113.3865 60.2328 60.7652 173.0443 55 R 4.3341 7.6011 118.3751 56.4327 31.7893 176.3441 56 T 4.4885 8.3748 115.5082 61.7957 70.6188 173.9494 57 I 4.7951 8.3644 127.5842 59.6290 39.6785 174.6430 58 N 5.0799 8.7149 124.8313 52.0081 40.6298 174.2212 59 Y 5.0157 8.4938 118.8440 55.8489 42.1695 174.9303 60 M 4.5197 8.7383 122.6246 55.4377 32.3107 174.5158 61 P 4.4902 0.0000 0.0000 66.2556 31.7773 178.5092 62 S 4.4164 8.1146 112.4080 59.7732 62.7781 175.3927 63 L 4.6052 7.7106 119.9967 53.4047 43.5292 174.0376 64 K 4.5377 7.9040 123.4944 54.5606 35.3676 174.4785 65 D 4.3568 8.3684 116.5143 54.6768 38.3303 174.0790 66 K 4.4746 7.7065 119.4910 57.2556 40.3500 174.6606 67 F 5.2499 7.8511 117.2814 55.9509 40.7475 175.0659 68 I 4.6439 8.6399 124.3401 59.6653 39.6813 174.4873 69 I 5.1213 9.1986 129.1118 60.0228 38.8473 175.2490 70 S 5.0247 9.0812 120.2513 57.2446 67.1416 172.5528 71 R 5.1261 8.5207 114.8690 55.0399 32.6850 174.5651 72 D 4.8210 9.4333 120.2833 52.4625 42.6801 175.8483 73 N 4.6820 8.9781 124.0452 55.8470 39.0124 177.6880 74 A 4.0109 7.8831 120.4789 54.1817 18.5472 178.2199 75 K 4.3066 8.0432 113.2538 55.3104 32.8057 176.1379 76 N 3.1400 7.3036 116.3832 54.1009 36.7675 173.8160 77 S 4.7640 6.8936 111.7267 56.4362 67.9031 174.1518 78 L 5.1370 8.4710 124.7636 53.5181 45.2311 174.7149 79 Y 5.5628 9.4879 121.7771 56.2907 42.5510 174.3883 80 L 4.6782 8.8078 123.6204 53.4320 45.3405 174.6930 81 Q 4.7752 9.3825 128.9496 54.7725 30.7503 174.0060 82 L 4.9950 9.0672 127.1229 53.0302 44.2476 175.7563 82A S 4.7397 7.8719 116.5154 55.8399 66.7280 173.5427 82B R 3.6539 8.2358 116.0504 57.1711 27.4509 177.2910 82C L 4.2588 7.5930 117.7286 54.7596 42.7808 177.4713 83 R 4.9855 9.1721 121.8240 53.7310 34.0200 176.7252 84 S 4.2455 8.6100 113.2600 61.5495 62.9680 176.5752 85 E 4.1024 8.2052 119.3489 59.0510 29.2713 177.4298 86 D 4.7233 8.2584 117.3157 55.4791 41.2665 176.6622 87 S 4.5783 8.0445 116.6575 59.1484 63.2499 173.5500 88 A 4.4214 8.6445 125.2655 51.4905 23.5271 174.5149 89 L 4.6493 8.1538 119.4254 54.3951 43.3609 175.9897 90 Y 4.8451 8.7305 121.4888 56.4999 40.3719 174.1469 91 Y 5.4518 9.7337 123.6093 56.3153 40.9162 174.2384 92 C 3.8131 10.3954 126.4342 56.0487 44.3543 172.3779 93 V 4.5586 8.1532 125.9946 60.9027 34.7408 174.0277 94 R 4.4399 8.7400 128.6751 55.4849 31.5291 174.4897 95 L 4.9674 8.4531 128.8067 53.5684 43.6824 174.8665 96 D 5.0726 9.3091 127.7400 53.4751 42.4269 175.0229 97 F 4.9046 8.7938 128.1087 57.3893 41.7995 175.1315 98 D 4.4933 7.3793 118.2848 53.7686 42.8455 176.1200 99 V 3.3875 7.9534 124.3097 65.4124 32.3366 177.9589 100 Y 4.0206 7.9883 116.4687 61.1863 37.7374 177.0395 100A N 4.4049 8.3983 114.4903 54.0570 39.4230 174.2568 100B H 3.8068 7.4856 113.1421 56.0822 25.9875 174.3366 100C Y 4.4562 7.0718 120.1129 56.2962 42.8882 174.2994 100D Y 4.8375 7.9297 123.8632 56.6906 41.3868 174.4674 100E V 4.2560 8.5741 124.5124 60.9057 35.1679 174.8944 100F L 4.7292 8.6884 127.6661 54.1620 40.5580 175.7670 101 D 4.5401 8.8314 123.5081 54.6438 40.6850 177.0273 102 Y 4.7912 7.6722 117.2498 55.4209 40.6390 174.8203 103 W 5.1357 8.9739 122.9078 54.6334 32.3910 175.6781 104 G 4.0457 9.3106 111.9406 46.0637 0.0000 173.7738 105 Q 4.3467 8.8846 118.3881 56.9988 29.1318 178.0390 106 G 4.4648 9.0756 102.9616 45.2592 0.0000 172.2140 107 T 4.6641 8.1848 114.1267 59.8835 70.7401 172.7232 108 S 4.7598 8.6354 123.1203 57.9388 64.2131 172.5402 109 V 4.9009 8.9385 126.5734 61.4011 34.3511 174.0678 110 T 4.8975 8.8507 124.2381 61.7227 71.6462 173.0387 111 V 4.7408 8.5721 127.3445 61.9340 32.4237 174.8515 112 S 4.8112 8.8259 120.7407 57.9237 65.5359 175.3992 113 S 4.5150 8.9497 118.7084 58.2652 63.7264 174.4281 114 A 4.0554 7.5712 124.5336 52.4070 18.5864 177.3409 115 S 4.7597 8.1645 114.9530 57.1120 64.8888 174.1951 116 T 4.5584 8.2608 117.7893 63.9445 69.2494 174.1087 117 K 4.6099 9.6047 126.1439 54.8476 35.6374 175.9082 118 G 4.2433 8.9233 114.9732 45.3408 0.0000 171.2602 119 P 4.9795 0.0000 0.0000 62.3470 32.8628 175.6771 120 S 4.4109 8.7327 117.5914 57.6006 64.7481 173.3214 121 V 4.5247 7.7032 122.8932 61.0799 33.4150 174.5229 122 F 5.3668 8.9604 127.1176 54.8289 42.1920 173.1840 123 P 4.8044 0.0000 0.0000 63.1205 32.4697 176.5152 124 L 5.0152 9.7986 124.1770 52.0717 41.7780 174.8244 125 A 4.5644 8.3400 124.8997 51.2230 19.3687 175.3078 126 P 4.7045 0.0000 0.0000 62.2154 33.8202 175.0714 127 S 4.8949 8.2231 113.9555 56.1988 65.2597 174.5720 128 S 4.3413 8.9023 121.3213 60.5826 62.3897 175.1296 129 K 4.2432 8.2853 117.7571 57.2651 33.0799 176.7462 130 S 4.8796 7.9231 116.3019 57.3112 62.8780 173.5247 124 T 5.0252 9.7886 115.9770 58.7717 69.1780 171.9244 125 S 4.7144 8.4100 116.7997 57.0230 64.0687 172.1078 126 G 4.2445 8.6547 108.7998 44.0154 0.0000 172.6714 127 G 4.3849 8.2431 107.0555 42.9988 0.0000 174.8720 128 T 4.2213 8.7423 119.2213 64.0826 68.3897 175.2296 129 A 4.2432 8.2353 121.1571 53.5651 19.0799 177.9462 130 A 4.7296 7.8531 124.4019 51.5112 18.1780 176.7247 140 L 4.7497 8.6069 120.8204 54.8108 44.6949 175.2374 141 G 4.4717 7.8415 104.9716 46.5526 0.0000 172.8198 142 C 5.4618 9.2258 116.6050 55.0522 42.4929 173.4561 143 L 4.7725 9.4321 126.3333 53.9610 43.3220 175.4107 144 V 4.6300 9.0538 128.4678 61.4337 32.7559 174.2288 145 K 4.8688 8.8499 129.9755 54.8827 35.3783 174.9044 146 D 4.5662 8.7094 123.5828 55.7948 37.4248 172.2864 147 Y 5.2739 7.6231 117.6794 55.5983 42.4819 176.1642 148 F 5.2095 9.1938 120.6367 57.0481 43.5679 172.1502 149 P 3.8653 0.0000 0.0000 61.0247 33.6043 175.0682 150 E 4.1368 8.1887 118.7767 56.2099 29.7745 174.5518 151 P 4.8212 0.0000 0.0000 61.4774 33.6390 174.5740 152 V 4.6089 7.8838 111.2038 59.6558 34.3581 175.4364 153 T 4.6122 8.3101 114.0412 60.0467 71.4239 173.5201 154 V 5.2639 8.2556 123.2962 60.0828 35.1024 174.4801 *156 S 5.0451 8.3860 120.6318 58.3398 65.3359 171.9856 157 W 5.2419 8.3125 118.5965 53.4107 31.8743 176.5042 *162 N 4.5203 8.2365 123.1296 54.4300 39.1437 174.5355 163 S 3.8277 10.1476 106.6347 59.4270 61.6341 174.6673 164 G 4.0038 8.5480 108.4464 45.2961 0.0000 175.4159 165 A 3.9959 8.0053 122.0994 53.9648 18.5326 177.0920 166 L 4.6526 7.8489 118.1377 53.7842 42.7787 175.4740 167 T 4.4686 8.3864 115.2645 62.7832 70.9010 175.1938 168 S 3.9748 7.9875 117.3526 59.9084 63.4069 174.7527 169 G 3.6748 8.6252 112.4490 45.6482 0.0000 172.6462 *171 V 4.1812 7.3614 118.3837 63.0100 32.7722 174.2929 172 H 4.7143 9.0372 123.7978 54.4489 32.3910 172.3304 173 T 4.8191 8.4331 120.6646 62.0920 69.4884 174.8522 174 F 4.4565 8.9335 125.8446 55.8046 40.2564 174.2433 175 P 4.2953 0.0000 0.0000 63.0109 31.7238 176.4004 176 A 4.5603 8.6154 123.7851 52.2922 19.3996 176.7236 177 V 4.4929 9.1674 120.0456 60.9803 34.8512 174.3104 178 L 4.2908 8.3999 128.8108 53.7910 42.7168 176.1720 179 Q 4.4536 8.6579 126.3645 54.9991 29.7191 177.6256 180 S 3.9408 8.5943 114.9496 60.9800 63.2424 176.1640 *182 S 4.3524 7.4213 113.6051 57.3165 64.3843 174.6953 183 G 3.7507 8.2963 109.1840 44.8218 0.0000 172.9042 184 L 4.7390 7.2196 119.3615 53.1673 44.7469 175.5410 185 Y 4.7821 8.5595 119.2958 57.4020 40.3089 174.6114 186 S 5.4074 8.8931 115.0313 57.3162 66.4849 172.8204 187 L 5.2510 9.5360 125.8975 54.6272 44.3589 174.5282 188 S 5.4043 8.8941 113.4935 56.7397 66.8801 172.5119 189 S 5.5049 9.3332 115.6546 56.9299 65.5017 173.1523 190 V 5.0932 9.3855 119.3023 59.6267 36.2490 174.5385 191 V 4.5939 8.9634 122.9999 61.1650 34.4138 174.2695 192 T 5.6260 8.2088 117.4144 60.2185 70.7472 174.0456 193 V 4.5658 7.9670 115.8184 58.6630 36.1340 173.6468 194 P 4.4437 0.0000 0.0000 63.0845 32.2174 177.2523 195 S 4.1266 9.0826 119.5830 62.2605 62.6252 177.3153 196 S 4.3755 8.0633 114.5475 60.2351 62.9204 175.4368 197 S 4.6034 7.9907 116.8520 58.1532 62.9290 175.4603 198 L 4.1367 7.7121 124.7534 58.6477 42.0402 178.2022 199 G 3.8734 7.9166 103.8345 47.0056 0.0000 174.3928 200 T 3.8717 7.9612 118.0226 65.8346 68.8122 174.4638 *203 Q 4.1571 7.6141 117.6948 56.1178 29.6611 173.9502 *205 T 4.0001 7.9302 113.1097 63.5910 69.6436 173.1409 206 Y 5.1087 8.2988 121.8280 56.4228 41.1972 174.5251 207 I 5.1442 9.5606 125.6009 59.5636 40.9705 172.0849 208 C 3.8541 8.5371 122.6494 54.0006 37.8905 172.2375 209 N 5.3568 8.9293 121.4545 51.5254 40.4440 173.9538 210 V 4.6494 8.8496 124.2568 60.9889 34.5179 173.5511 211 N 5.2722 8.9411 126.6391 52.1717 42.1989 172.7826 212 H 4.8027 9.2600 125.2532 53.9358 31.2112 173.5794 213 K 3.8982 8.5468 124.6147 58.6700 32.3143 177.8502 214 P 4.2110 0.0000 0.0000 64.7358 31.2650 177.0686 215 S 4.6368 7.8405 110.1595 57.0433 63.4236 173.5992 216 N 3.9019 7.7446 116.6650 54.8272 36.6866 174.0067 217 T 4.4871 7.6483 113.8390 62.3410 70.2336 174.4794 218 K 5.0362 8.6145 125.6146 54.5144 35.1821 175.8387 219 V 4.3993 8.8105 123.9750 61.2077 35.2079 173.4963 220 D 5.2716 8.7776 127.1328 52.4670 42.9536 175.3292 221 K 4.4856 8.5922 125.7282 54.1663 34.5563 174.9329 222 K 4.5826 8.7860 129.6186 56.4635 33.1575 176.6167 223 V 4.1797 9.0559 128.5121 61.3117 32.1176 173.6231 *226 E 4.4077 8.2831 124.5078 55.0354 30.6858 174.4866 227 P 4.4857 0.0000 0.0000 63.5017 32.0286 176.4355 228 K 4.1336 8.3364 120.1543 57.1150 32.9394 175.5630 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 E 8.30 4.29 0.00 2.06 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 0.00 2.33 2.33 0.00 2 V 7.98 4.11 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 0.31 0.00 0.00 0.22 0.00 0.00 3 K 9.95 4.69 0.00 1.71 1.64 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.39 7.81 4 L 8.57 5.09 0.00 1.54 1.59 0.97 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 5 L 8.76 4.46 0.00 1.62 1.64 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.81 5.06 0.00 1.95 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 2.59 2.46 0.00 7 S 9.43 4.52 0.00 3.86 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 8 G 9.23 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 9 G 7.07 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 0.00 0.00 0.00 0.00 10 G 7.50 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 4.72 0.00 1.65 1.60 0.96 1.05 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 12 A 9.11 4.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.51 4.74 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 14 P 0.00 4.62 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 15 G 9.30 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 16 G 7.86 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 17 S 8.13 5.18 0.00 3.94 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 18 L 8.57 4.39 0.00 1.64 1.34 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.54 4.78 0.00 1.70 1.62 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.53 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.31 1.40 7.81 20 L 8.68 4.81 0.00 1.10 1.47 0.33 0.35 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 21 S 9.18 5.45 0.00 4.05 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 0.00 22 C 8.85 5.25 0.00 3.04 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 23 A 8.92 5.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.31 5.37 1.06 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 25 S 8.72 4.24 0.00 3.79 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 26 G 10.79 4.29 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 0.00 27 F 6.90 4.88 0.00 3.06 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 28 D 8.76 4.66 0.00 2.91 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 29 F 8.29 4.07 0.00 2.62 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.31 3.96 0.00 2.06 2.03 0.00 3.28 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 31 R 8.22 4.25 0.00 1.85 1.71 0.00 3.23 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 32 Y 7.45 4.87 0.00 2.90 2.87 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 33 W 9.08 4.32 0.00 3.25 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 9.16 5.25 0.00 1.74 1.80 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 35 T 8.75 5.13 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 1.42 0.00 0.00 36 W 8.74 5.17 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.19 5.16 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 1.39 0.00 0.00 0.91 0.00 0.00 38 R 8.99 4.89 0.00 1.01 1.30 0.00 2.43 0.00 0.00 2.96 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 39 Q 8.95 4.85 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.65 0.00 40 A 8.62 4.67 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 41 P 0.00 4.33 0.00 2.13 2.09 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 42 G 9.05 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 43 K 7.88 4.66 0.00 1.93 1.76 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.52 7.81 44 G 8.28 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.15 4.66 0.00 1.65 1.79 0.91 0.86 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 46 E 9.17 4.64 0.00 2.05 1.79 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 2.25 2.32 0.00 47 W 9.16 4.52 0.00 3.32 3.19 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 48 I 8.18 3.68 1.80 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 0.64 0.55 0.28 0.00 0.00 49 G 6.13 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.19 5.42 0.00 2.45 2.43 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 2.66 2.66 0.00 51 I 8.89 4.93 1.81 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 1.11 1.70 0.91 0.00 0.00 52 N 8.00 3.17 0.00 1.44 1.42 0.00 0.00 6.83 7.35 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 52A P 0.00 3.92 0.00 1.86 2.33 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 53 D 7.78 4.61 0.00 2.83 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 54 S 7.64 3.69 0.00 4.05 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 55 R 7.60 4.33 0.00 1.79 1.92 0.00 3.29 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 56 T 8.37 4.49 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 1.42 0.00 0.00 57 I 8.36 4.80 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.60 0.00 0.00 58 N 8.71 5.08 0.00 3.01 3.02 0.00 0.00 6.49 6.79 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 59 Y 8.49 5.02 0.00 2.89 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 60 M 8.74 4.52 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.65 0.00 61 P 0.00 4.49 0.00 2.34 2.39 0.00 3.93 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 62 S 8.11 4.42 0.00 3.97 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 63 L 7.71 4.61 0.00 1.87 1.92 1.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.90 4.54 0.00 1.84 1.66 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.58 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.96 1.18 7.81 65 D 8.37 4.36 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.71 4.47 0.00 1.55 1.35 0.00 1.47 0.00 0.00 1.30 0.00 0.00 2.66 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 1.18 7.81 67 F 7.85 5.25 0.00 2.98 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 68 I 8.64 4.64 1.89 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 1.21 0.77 0.99 0.00 0.00 69 I 9.20 5.12 1.87 0.00 0.00 0.74 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 0.74 1.14 0.00 0.00 70 S 9.08 5.02 0.00 4.00 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 71 R 8.52 5.13 0.00 2.09 1.99 0.00 2.88 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 72 D 9.43 4.82 0.00 2.96 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 73 N 8.98 4.68 0.00 2.87 2.97 0.00 0.00 6.93 7.54 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 74 A 7.88 4.01 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 75 K 8.04 4.31 0.00 1.76 1.78 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.39 7.81 76 N 7.30 3.14 0.00 2.37 2.14 0.00 0.00 6.76 7.44 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 77 S 6.89 4.76 0.00 3.50 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 78 L 8.47 5.14 0.00 1.83 1.37 1.02 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 9.49 5.56 0.00 2.98 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 80 L 8.81 4.68 0.00 0.27 0.15 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.38 4.78 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 82 L 9.07 4.99 0.00 1.41 1.36 0.45 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 82A S 7.87 4.74 0.00 3.70 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 82B R 8.24 3.65 0.00 1.80 1.91 0.00 3.12 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 82C L 7.59 4.26 0.00 1.69 1.57 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.17 4.99 0.00 1.80 1.80 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 84 S 8.61 4.25 0.00 4.06 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 0.00 85 E 8.21 4.10 0.00 2.04 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 0.00 2.36 2.38 0.00 86 D 8.26 4.72 0.00 2.85 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 87 S 8.04 4.58 0.00 3.94 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 88 A 8.64 4.42 1.01 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 89 L 8.15 4.65 0.00 1.48 0.97 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.73 4.85 0.00 3.01 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 91 Y 9.73 5.45 0.00 2.93 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 10.40 3.81 0.00 2.64 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.15 4.56 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 -0.18 0.00 0.00 -0.33 0.00 0.00 94 R 8.74 4.44 0.00 1.69 1.59 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 95 L 8.45 4.97 0.00 1.81 1.93 1.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 96 D 9.31 5.07 0.00 3.20 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 97 F 8.79 4.90 0.00 2.95 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 98 D 7.38 4.49 0.00 2.59 2.41 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 99 V 7.95 3.39 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 0.71 0.00 0.00 0.97 0.00 0.00 100 Y 7.99 4.02 0.00 3.08 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 100A N 8.40 4.40 0.00 2.69 2.82 0.00 0.00 7.15 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100B H 7.49 3.81 0.00 3.35 3.36 0.00 5.63 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100C Y 7.07 4.46 0.00 2.77 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 100D Y 7.93 4.84 0.00 2.57 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100E V 8.57 4.26 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 1.06 0.00 0.00 0.31 0.00 0.00 100F L 8.69 4.73 0.00 1.83 1.52 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.83 4.54 0.00 2.58 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 0.00 102 Y 7.67 4.79 0.00 2.74 2.86 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 0.00 103 W 8.97 5.14 0.00 2.99 3.08 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 0.00 104 G 9.31 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 0.00 105 Q 8.88 4.35 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 106 G 9.08 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 4.66 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 1.39 0.00 0.00 108 S 8.64 4.76 0.00 3.94 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 0.00 109 V 8.94 4.90 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.74 0.00 0.00 110 T 8.85 4.90 4.16 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 1.22 0.00 0.00 111 V 8.57 4.74 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 0.77 0.00 0.00 0.99 0.00 0.00 112 S 8.83 4.81 0.00 4.12 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 0.00 113 S 8.95 4.52 0.00 4.02 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 0.00 114 A 7.57 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.16 4.76 0.00 4.04 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.26 4.56 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 1.37 0.00 0.00 117 K 9.60 4.61 0.00 1.85 1.75 0.00 1.68 0.00 0.00 1.98 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 118 G 8.92 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 0.00 119 P 0.00 4.98 0.00 2.01 2.03 0.00 3.71 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 120 S 8.73 4.41 0.00 3.48 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 0.00 121 V 7.70 4.52 1.91 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 0.70 0.00 0.00 0.77 0.00 0.00 122 F 8.96 5.37 0.00 3.01 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 0.00 123 P 0.00 4.80 0.00 2.17 2.15 0.00 3.98 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 124 L 9.80 5.02 0.00 1.73 1.71 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.34 4.56 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.70 0.00 2.07 2.22 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.85 0.00 127 S 8.22 4.89 0.00 3.81 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 0.00 128 S 8.90 4.34 0.00 3.87 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 0.00 129 K 8.29 4.24 0.00 1.87 1.82 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.41 7.81 130 S 7.92 4.88 0.00 3.83 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 0.00 124 T 9.79 5.03 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 0.00 125 S 8.41 4.71 0.00 3.62 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 0.00 126 G 8.65 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 0.00 127 G 8.24 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 0.00 128 T 8.74 4.22 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 0.00 129 A 8.24 4.24 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 0.00 130 A 7.85 4.73 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.61 4.75 0.00 1.58 1.54 0.47 -0.46 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 0.00 141 G 7.84 4.47 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 0.00 0.00 0.00 142 C 9.23 5.46 0.00 2.84 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 0.00 143 L 9.43 4.77 0.00 1.87 1.79 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 144 V 9.05 4.63 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.88 0.00 0.00 145 K 8.85 4.87 0.00 1.99 1.77 0.00 1.98 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.49 7.81 146 D 8.71 4.57 0.00 2.97 2.80 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 0.00 147 Y 7.62 5.27 0.00 2.92 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 0.00 148 F 9.19 5.21 0.00 3.23 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 0.00 149 P 0.00 3.87 0.00 1.68 0.96 0.00 3.78 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 150 E 8.19 4.14 0.00 1.74 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 0.00 1.47 1.47 0.00 151 P 0.00 4.82 0.00 2.13 2.02 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 152 V 7.88 4.61 1.79 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 -0.20 0.00 0.00 0.69 0.00 0.00 153 T 8.31 4.61 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 1.18 0.00 0.00 154 V 8.26 5.26 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 1.13 0.00 0.00 0.86 0.00 0.00 *156 S 8.39 5.05 0.00 4.00 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 0.00 157 W 8.31 5.24 0.00 3.50 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *162 N 8.24 4.52 0.00 2.99 2.90 0.00 0.00 7.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 10.15 3.83 0.00 3.94 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 0.00 164 G 8.55 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.00 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 0.00 166 L 7.85 4.65 0.00 1.72 1.95 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 167 T 8.39 4.47 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 168 S 7.99 3.97 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 0.00 169 G 8.63 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 *171 V 7.36 4.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 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3.94 0.00 3.96 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 *182 S 7.42 4.35 0.00 3.97 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 0.00 183 G 8.30 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.22 4.74 0.00 1.51 1.53 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 8.56 4.78 0.00 1.71 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 S 8.89 5.41 0.00 3.90 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 0.00 187 L 9.54 5.25 0.00 1.92 1.95 1.11 0.66 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 0.00 188 S 8.89 5.40 0.00 4.00 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 0.00 189 S 9.33 5.50 0.00 4.05 4.00 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 0.00 198 L 7.71 4.14 0.00 1.88 1.79 0.86 1.00 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 0.00 199 G 7.92 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 0.00 200 T 7.96 3.87 4.52 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 1.21 0.00 0.00 *203 Q 7.61 4.16 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.67 0.00 0.00 0.00 0.00 0.00 2.22 1.77 0.00 *205 T 7.93 4.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 206 Y 8.30 5.11 0.00 3.07 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 0.00 207 I 9.56 5.14 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.88 0.00 0.00 208 C 8.54 3.85 0.00 1.55 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 N 8.93 5.36 0.00 2.58 2.67 0.00 0.00 6.05 7.38 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 0.00 210 V 8.85 4.65 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 0.86 0.00 0.00 0.74 0.00 0.00 211 N 8.94 5.27 0.00 2.79 2.54 0.00 0.00 6.13 7.46 0.00 0.00 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 H 9.26 4.80 0.00 2.96 3.05 0.00 5.65 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.55 3.90 0.00 1.78 1.80 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.42 7.81 214 P 0.00 4.21 0.00 1.87 2.04 0.00 3.04 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 215 S 7.84 4.64 0.00 4.04 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 N 7.74 3.90 0.00 2.87 2.91 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 0.00 217 T 7.65 4.49 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 1.17 0.00 0.00 218 K 8.61 5.04 0.00 1.56 1.64 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.44 7.81 219 V 8.81 4.40 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 0.86 0.00 0.00 0.86 0.00 0.00 220 D 8.78 5.27 0.00 2.54 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 0.00 221 K 8.59 4.49 0.00 1.78 1.56 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 222 K 8.79 4.58 0.00 1.85 1.75 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.52 7.81 223 V 9.06 4.18 2.40 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 1.04 0.00 0.00 1.25 0.00 0.00 *226 E 8.28 4.41 0.00 2.09 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 2.29 2.36 0.00 227 P 0.00 4.49 0.00 2.09 2.05 0.00 3.82 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 228 K 8.34 4.13 0.00 1.86 1.66 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.