NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4441 8.3344 115.2940 57.8380 63.1044 172.9164 3 V 3.5583 7.8570 122.5989 64.4960 32.0913 174.4701 4 I 4.3365 8.0549 121.0328 59.2051 40.4985 174.5878 5 A 4.5786 8.1050 127.5121 50.4919 20.0907 176.9780 6 K 4.2162 8.1426 118.1358 59.1145 32.6020 176.9511 7 Q 4.4709 7.7030 120.6090 55.9288 30.1452 175.2757 8 M 4.8861 8.2764 120.9254 54.9685 36.9725 174.9030 9 T 4.7288 9.1064 115.5067 61.3534 72.1809 172.4449 10 Y 5.2799 7.6332 117.7854 56.6030 41.3521 172.8958 11 K 5.1464 9.0626 120.4806 54.6230 35.5903 175.1888 12 V 5.1518 8.5972 126.0941 60.4397 35.2407 174.6411 13 Y 4.9713 8.8908 119.1459 56.9320 40.8673 173.6048 14 M 5.5618 9.6167 125.0014 53.5032 35.1416 174.6521 15 S 4.6754 7.5620 116.6479 56.9457 66.5466 174.7565 16 G 3.6155 5.7517 107.5391 46.2898 0.0000 171.0807 17 T 4.8956 7.6764 116.5460 62.2404 71.8427 173.2515 18 V 4.7095 9.1803 127.2382 61.9016 33.3701 175.1290 19 N 4.3840 10.9700 126.3990 54.3728 36.7946 175.6488 20 G 3.9900 8.6115 106.3370 45.6015 0.0000 174.0826 21 H 4.6349 8.3298 120.5652 55.9128 31.1660 173.6497 22 Y 5.1676 8.6345 127.0692 56.5392 40.6565 173.9433 23 F 6.1292 7.4164 120.0090 54.7314 42.2999 173.1416 24 E 5.2389 8.6964 117.8330 54.9814 34.0737 174.6842 25 V 5.1214 8.8448 121.9473 61.9580 35.6984 173.2472 26 E 5.1021 9.2257 125.1869 55.7224 34.7412 174.8663 27 G 4.7455 7.7728 107.1818 47.0159 0.0000 171.0534 28 D 5.2119 8.2151 119.2565 52.3198 43.8349 176.9402 29 G 2.7653 7.8926 112.0497 45.2994 0.0000 171.3425 30 K 4.1803 7.9182 119.5038 56.0987 35.6323 171.5791 31 G 3.8716 8.1757 105.9970 43.9273 0.0000 172.2340 32 K 5.0741 9.1414 116.9277 53.2408 35.0894 175.0259 33 P 4.8783 0.0000 0.0000 62.9636 31.2880 175.9059 34 Y 5.1364 7.8564 115.9848 58.7402 39.2324 176.1293 35 E 4.4171 8.1278 116.6580 55.8903 30.9036 177.2242 36 G 4.3336 8.5595 106.4649 44.8548 0.0000 172.0312 37 E 5.2249 7.8055 118.8048 54.9409 32.1102 174.8737 38 Q 4.7806 8.5069 119.3504 55.9150 32.3975 173.1236 39 T 5.1650 8.3368 109.7667 61.4564 72.1629 173.0397 40 V 5.1132 6.8489 126.0344 61.8084 34.7269 170.1456 41 K 4.7837 7.9505 123.2494 54.7938 34.1491 175.4894 42 L 5.2967 8.5957 124.2657 53.5932 45.6647 175.7184 43 T 4.9351 8.4593 116.2453 62.4199 72.9406 173.9049 44 V 4.3173 8.8504 128.2972 63.2315 31.7727 175.7438 45 T 4.7426 9.2887 115.8651 61.3080 70.8688 174.0395 46 K 4.4013 8.2487 123.9241 56.6557 35.4275 176.2880 47 G 4.5606 8.8757 115.2329 46.4535 0.0000 173.3842 48 G 3.7796 7.8942 108.3042 44.8517 0.0000 171.8709 49 P 4.6763 0.0000 0.0000 60.9135 32.9107 175.7336 50 L 3.7492 8.1281 120.5604 54.2308 41.6419 176.2221 51 P 4.5098 0.0000 0.0000 62.5899 30.7104 175.4173 52 F 4.7728 6.9925 112.1895 55.5344 40.9376 173.3130 53 A 3.7813 8.3640 123.5546 51.8288 18.4105 178.0972 54 W 3.9037 8.5132 133.2650 60.9786 30.9519 177.4936 55 D 5.0870 8.5717 119.7121 56.4377 39.9721 178.2660 56 I 4.3215 7.5020 111.9173 62.6987 37.8689 177.2535 57 L 4.1913 7.9664 121.7728 56.5424 42.1408 178.4119 58 S 4.3049 7.3277 112.8929 60.9803 62.7524 174.1374 59 P 4.5116 0.0000 0.0000 63.2256 31.5094 176.0524 60 Q 4.6589 8.6365 117.9195 56.0271 29.2663 176.0751 61 L 4.6704 7.1769 116.7047 54.0950 42.2581 177.0064 *65 S 3.6293 7.4100 108.6034 57.8716 63.7280 174.9081 66 I 3.5774 7.9775 122.0053 64.1505 37.4814 176.9277 67 P 4.1671 0.0000 0.0000 65.4234 32.1079 176.8953 68 F 4.5523 8.1117 119.1431 56.6798 37.4749 174.5956 69 T 5.1157 7.3705 116.9569 61.3610 72.3049 175.1955 70 K 4.4143 8.9246 126.8737 56.5120 33.3364 175.2150 71 Y 4.8834 8.7439 124.7008 55.4084 40.8967 173.4782 72 P 4.5701 0.0000 0.0000 62.2762 32.2631 177.3155 73 E 3.8467 8.5852 123.7973 58.7370 29.6543 177.6309 74 D 4.8815 8.0647 116.2392 52.6341 39.7908 175.5717 75 I 4.4039 9.4543 120.2902 58.9513 39.3615 173.4997 76 P 4.0763 0.0000 0.0000 62.4137 30.4087 175.2243 77 D 3.3700 8.1555 123.8736 53.9723 40.4937 176.2314 78 Y 3.8251 8.0256 128.8131 60.0657 39.4863 178.2108 79 F 3.9177 8.0912 118.1910 60.1558 38.9180 178.0424 80 K 4.3202 9.1880 118.2706 59.5506 31.5744 179.3486 81 Q 4.1026 7.6890 117.3965 58.3252 28.9175 178.2739 82 S 4.0590 7.8817 115.7341 59.9571 63.0629 174.6354 83 F 4.9147 7.1296 119.3674 56.1108 39.5405 174.1214 84 P 4.7185 0.0000 0.0000 65.0721 31.4842 177.9010 85 E 3.9432 8.2744 117.4601 57.4165 29.9506 178.4669 86 G 2.9681 8.1941 106.8880 44.9242 0.0000 171.3823 87 Y 5.3559 7.4228 115.6683 56.3877 42.0924 174.1578 88 T 5.0377 9.2544 111.1627 60.2908 72.1717 172.9212 89 W 5.5100 7.9837 117.3130 55.6581 32.0077 173.2967 90 E 5.0634 9.2813 120.8075 54.9011 31.9186 175.8848 91 R 4.7025 9.0433 125.8687 55.4594 33.0418 175.3503 92 S 4.8122 8.1541 114.1298 57.8633 66.4439 173.5072 93 M 4.4511 8.9250 126.0994 53.6996 32.9956 174.2304 94 N 4.7985 8.3304 122.2983 52.0514 40.4910 175.1346 95 F 5.0656 9.0726 123.0653 55.7172 41.5620 177.2029 96 E 3.9566 8.4594 117.6557 59.8913 29.3268 178.4176 97 D 4.6139 8.4108 115.1573 53.2661 39.1038 176.9431 98 G 3.9232 8.1330 109.1057 45.1918 0.0000 174.2196 99 A 3.7923 7.7681 122.4326 52.3050 19.0529 176.8736 100 V 4.8417 7.9837 122.3208 61.3850 35.1289 174.2673 101 C 5.2250 8.5778 122.3898 58.3907 32.4190 173.0995 102 T 4.8973 8.9079 114.2398 60.2655 71.0129 173.8849 103 V 5.0593 8.3547 122.6612 61.5691 35.7069 174.0535 104 S 4.6825 8.6991 119.0467 56.8798 66.5587 172.3649 105 N 5.0921 7.9310 120.2351 51.6557 42.5739 172.3662 106 D 4.7539 8.4141 120.8324 52.5557 44.8680 174.1958 107 S 5.8787 9.4120 121.4324 56.3212 66.7689 173.5696 108 S 5.1743 8.2805 116.0653 58.1674 66.0880 171.9767 109 I 4.7150 8.2108 118.2693 60.0045 39.6665 175.6708 110 Q 4.4629 8.1002 124.4014 54.7890 30.2241 174.6929 111 G 3.8067 8.0554 110.6289 45.6859 0.0000 171.8343 112 N 4.6534 8.4968 114.1582 52.4440 39.9588 173.9753 113 C 5.5644 7.0796 118.9189 58.8514 35.1773 173.9664 114 F 4.6984 9.0750 125.5615 57.2480 41.1109 174.4591 115 I 4.6688 8.1645 119.8161 60.7016 40.5676 174.0918 116 Y 5.3361 9.0827 126.0639 56.2642 40.5038 174.6993 117 N 5.1473 9.3199 123.2071 51.8992 41.2393 172.6625 118 V 4.6922 8.4594 125.7178 59.5981 34.3795 174.9071 119 K 5.0224 8.7853 123.3617 54.5493 35.4213 174.9338 120 I 5.0974 8.5093 124.7526 59.1663 41.6977 173.6852 121 S 5.2332 9.2353 123.6853 56.4713 64.6349 172.7483 122 G 4.6214 9.4322 114.3362 44.1135 0.0000 171.2626 123 E 5.7108 8.1438 122.9101 54.6332 34.7486 175.8456 124 N 4.4117 9.0891 114.5073 53.6874 35.9146 174.7937 125 F 4.0674 7.9935 117.6366 56.7848 39.3804 173.4206 126 P 4.2800 0.0000 0.0000 62.4509 31.8278 174.9864 127 P 4.1686 0.0000 0.0000 65.8531 31.2430 176.8047 128 N 4.7178 8.0120 112.8252 53.1611 39.0747 174.8613 129 G 3.7655 7.9739 106.7077 44.1697 0.0000 173.4833 130 P 4.0282 0.0000 0.0000 65.3691 31.5873 179.2405 131 V 3.5785 7.2997 117.6275 65.9665 31.7442 177.7159 132 M 3.9679 7.7483 118.7096 58.4213 31.9307 177.3554 133 Q 4.2490 7.8438 115.2746 54.9912 28.6760 175.6152 134 K 3.6756 7.7025 115.9227 57.4437 30.2801 175.6240 135 K 4.4176 8.7982 116.6587 57.0424 32.8494 176.8215 136 T 4.6524 7.5763 110.5568 59.7756 71.0172 174.4612 137 Q 4.5728 8.3689 120.2013 55.3296 29.0415 174.9340 138 G 4.3217 8.6187 106.7059 44.5464 0.0000 172.7026 139 W 5.1282 8.4206 119.5136 54.9861 30.7582 176.4498 140 E 4.3256 8.8623 121.7112 55.7066 29.6453 174.8422 141 P 4.4162 0.0000 0.0000 62.3026 32.5047 175.4175 142 S 4.5591 8.9294 116.7992 57.8057 66.9586 172.4166 143 T 4.8695 8.1787 115.7748 62.4962 71.3516 173.2234 144 E 4.4958 9.7178 129.4954 54.8420 32.2781 175.1604 145 R 4.8463 8.8077 125.8501 54.4214 31.1288 173.0167 146 L 5.2236 8.8378 123.1037 52.7473 43.6116 175.7320 147 F 5.5991 8.6962 119.7945 55.0171 41.4814 173.4901 148 A 4.9701 8.6825 119.0772 50.6806 21.6367 176.7888 149 R 4.3173 8.9953 120.8661 56.5139 33.3737 174.9818 150 D 4.4394 10.0247 126.8029 55.3710 38.5929 173.6326 151 G 4.1692 8.4771 106.9322 45.6594 0.0000 174.1115 152 M 5.0849 7.8890 118.4806 53.8992 34.1850 175.1268 153 L 4.6730 8.0156 121.8470 53.2207 45.1224 174.9311 154 I 4.5623 8.1638 127.0443 59.3816 39.6391 174.8678 155 G 5.0471 8.3081 112.4730 44.1837 0.0000 172.0497 156 N 5.5448 8.3362 116.8109 50.9913 43.7349 173.3144 157 D 4.5061 7.9830 121.1305 53.2025 44.9554 173.2734 158 Y 4.5728 8.5919 124.1341 57.0909 38.8117 174.8423 159 M 4.6681 8.6997 124.3315 53.6195 35.1924 175.3310 160 A 5.2803 8.3815 121.1093 50.5000 23.5363 174.8085 161 L 4.7870 9.6787 121.6320 52.8397 43.5943 176.4478 162 K 4.1266 8.8351 123.9163 57.4729 33.2037 176.0925 163 L 4.8389 8.5042 124.4055 52.2743 44.9463 175.8385 164 E 4.5522 7.5028 121.8920 57.4118 29.8573 177.7256 165 G 3.8185 8.8227 113.3737 45.2895 0.0000 173.9127 166 G 3.7546 7.9863 106.6886 45.5276 0.0000 174.2057 167 G 4.0089 7.6717 107.7224 45.5950 0.0000 172.4098 168 H 5.7444 8.6207 115.3156 54.0663 32.3355 172.8599 169 Y 5.3111 9.4350 122.5524 56.1761 41.5627 174.3961 170 L 4.8309 9.2917 126.4417 53.7643 45.0275 175.2526 171 C 4.4256 8.5745 120.7540 58.4452 35.4675 172.7628 172 E 4.5938 8.8908 128.4517 55.0238 29.5682 174.4272 173 F 4.3282 8.8155 125.1285 57.9218 40.2224 174.7450 174 K 4.5695 8.9622 125.4059 54.9652 33.6866 176.6866 175 S 4.6620 8.3857 122.3690 58.2155 65.5990 174.2522 176 T 4.6703 8.1582 117.5261 63.6782 71.6565 173.2224 177 Y 5.2625 9.1454 125.1339 56.8338 41.3167 175.5796 178 K 4.6352 8.9151 117.5991 56.0548 35.4066 174.5032 179 A 4.7403 8.8157 129.7547 51.7878 19.1072 177.0766 180 K 4.3715 8.7654 118.3953 56.8812 32.9184 176.8224 181 K 4.6278 7.6150 117.6082 53.5680 35.6296 173.8354 182 P 4.3616 0.0000 0.0000 62.8297 31.6551 176.2290 183 V 4.3396 7.6369 113.4119 59.5672 35.6840 175.6836 184 R 4.1704 9.1055 118.5537 55.1494 28.1962 176.0019 185 M 3.9083 8.4222 122.7687 55.8134 32.5060 175.4238 186 P 4.6346 0.0000 0.0000 61.3787 33.5899 174.2364 187 G 4.2194 7.9068 107.3994 43.5955 0.0000 172.5531 188 R 4.0229 8.0358 116.5092 55.6560 30.3241 175.5296 189 H 4.9189 8.9850 117.2700 55.2002 32.6612 172.0296 190 E 5.2465 9.4319 117.1237 54.8995 33.9028 174.9049 191 I 4.7448 8.7883 124.7621 59.6615 40.0265 174.2063 192 D 5.4827 9.0500 128.1940 53.1991 42.3187 175.9763 193 R 5.5755 9.1328 122.3375 53.4253 34.4675 174.9097 194 K 4.6105 8.3629 121.9958 54.6928 33.7848 173.1019 195 L 4.8922 8.3568 126.3012 53.6429 42.3494 174.8112 196 D 5.0150 8.8089 127.2935 51.9753 43.7888 175.8875 197 V 4.0498 8.8802 124.0182 64.4095 31.2326 175.4648 198 T 4.4800 9.0930 119.0068 63.6725 70.1909 174.9362 199 S 4.6804 7.6461 114.3605 57.6500 66.3811 172.9266 200 H 5.0419 7.8508 114.3907 54.1862 30.8734 173.1434 201 N 4.4623 8.5752 118.2681 52.5976 38.1433 176.2141 202 R 3.9048 8.6735 119.1181 59.1391 30.2100 177.5152 203 D 4.6988 8.0112 114.0795 52.8299 40.0287 175.4746 204 Y 3.2528 7.6054 116.6813 59.6861 35.6928 170.5824 205 T 4.3861 8.2065 110.6646 62.4043 71.3257 174.2798 206 S 4.9567 8.9316 119.2813 56.5261 65.6969 173.5895 207 V 4.5947 7.8696 122.7829 61.1420 35.4523 173.4527 208 E 5.0370 9.3136 125.1963 54.7772 32.9577 175.5550 209 Q 5.0235 8.3494 122.7638 54.9663 31.7004 174.2927 210 C 4.9226 8.3978 112.0743 57.9402 33.3582 172.6795 211 E 5.4578 8.7635 120.2389 55.5517 33.4796 173.6084 212 I 5.2217 8.4631 125.9918 59.5895 40.8100 174.3454 213 A 5.0927 9.1564 128.0219 50.5118 22.2746 174.9622 214 I 4.9531 8.8395 122.5184 59.6990 41.7515 174.6245 215 A 5.6548 7.9088 126.3960 49.6869 21.9193 175.3863 216 R 4.2509 7.5778 114.1348 56.2017 32.1555 173.2928 217 H 4.7864 8.9090 117.0288 55.5599 29.7424 176.1239 218 S 4.8355 8.4210 116.9623 58.3506 63.0866 174.7835 219 L 4.3628 8.3374 124.6138 56.0464 42.2841 176.1548 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.44 0.00 3.87 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 3 V 7.86 3.56 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 0.94 0.00 0.00 0.97 0.00 0.00 4 I 8.05 4.34 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.54 0.00 0.00 5 A 8.10 4.58 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 6 K 8.14 4.22 0.00 1.92 1.90 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.60 7.81 7 Q 7.70 4.47 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 8 M 8.28 4.89 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 9 T 9.11 4.73 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 1.24 0.00 0.00 10 Y 7.63 5.28 0.00 3.32 3.51 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 11 K 9.06 5.15 0.00 1.85 1.66 0.00 1.37 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.95 0.67 7.81 12 V 8.60 5.15 2.54 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 1.06 0.00 0.00 1.12 0.00 0.00 13 Y 8.89 4.97 0.00 3.11 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 14 M 9.62 5.56 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 15 S 7.56 4.68 0.00 3.69 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 16 G 5.75 3.62 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 0.00 0.00 0.00 17 T 7.68 4.90 4.28 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 1.28 0.00 0.00 18 V 9.18 4.71 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 -0.22 0.00 0.00 0.86 0.00 0.00 19 N 10.97 4.38 0.00 2.95 2.85 0.00 0.00 6.78 7.47 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 20 G 8.61 3.99 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 0.00 0.00 0.00 21 H 8.33 4.63 0.00 3.48 3.54 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.63 5.17 0.00 3.16 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 23 F 7.42 6.13 0.00 3.22 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 24 E 8.70 5.24 0.00 2.11 1.93 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 2.33 2.60 0.00 25 V 8.84 5.12 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 1.28 0.00 0.00 1.23 0.00 0.00 26 E 9.23 5.10 0.00 1.96 1.70 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 2.42 2.43 0.00 27 G 7.77 4.75 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 28 D 8.22 5.21 0.00 2.46 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 0.00 0.00 0.00 29 G 7.89 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 0.00 0.00 0.00 30 K 7.92 4.18 0.00 1.68 1.53 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.31 7.81 31 G 8.18 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 32 K 9.14 5.07 0.00 1.97 1.98 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.41 7.81 33 P 0.00 4.88 0.00 1.73 0.86 0.00 3.63 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 1.14 1.39 0.00 34 Y 7.86 5.14 0.00 3.05 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 35 E 8.13 4.42 0.00 2.10 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 0.00 2.40 2.47 0.00 36 G 8.56 4.33 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 0.00 37 E 7.81 5.22 0.00 1.99 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 0.00 2.36 2.35 0.00 38 Q 8.51 4.78 0.00 1.78 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.47 0.00 0.00 0.00 0.00 0.00 2.09 2.27 0.00 39 T 8.34 5.17 4.20 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 1.16 0.00 0.00 40 V 6.85 5.11 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 1.10 0.00 0.00 0.95 0.00 0.00 41 K 7.95 4.78 0.00 1.66 1.69 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.37 7.81 42 L 8.60 5.30 0.00 1.51 1.69 1.06 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.46 4.94 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 1.24 0.00 0.00 44 V 8.85 4.32 2.16 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 0.92 0.00 0.00 1.13 0.00 0.00 45 T 9.29 4.74 4.34 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 1.29 0.00 0.00 46 K 8.25 4.40 0.00 1.98 1.92 0.00 1.80 0.00 0.00 2.03 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.55 7.81 47 G 8.88 4.56 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 48 G 7.89 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 49 P 0.00 4.68 0.00 2.26 2.07 0.00 3.81 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 1.95 1.99 0.00 50 L 8.13 3.75 0.00 1.10 0.46 -0.01 0.90 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 51 P 0.00 4.51 0.00 2.23 2.15 0.00 3.42 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 52 F 6.99 4.77 0.00 2.75 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 53 A 8.36 3.78 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 54 W 8.51 3.90 0.00 3.42 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 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0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 -0.05 0.00 0.00 67 P 0.00 4.17 0.00 1.11 1.30 0.00 3.70 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 1.42 1.99 0.00 68 F 8.11 4.55 0.00 3.27 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 69 T 7.37 5.12 4.50 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 1.16 0.00 0.00 70 K 8.92 4.41 0.00 1.98 1.70 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.50 7.81 71 Y 8.74 4.88 0.00 2.93 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 72 P 0.00 4.57 0.00 2.24 2.19 0.00 3.96 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 73 E 8.59 3.85 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 74 D 8.06 4.88 0.00 2.80 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 75 I 9.45 4.40 2.07 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 0.96 0.00 0.00 76 P 0.00 4.08 0.00 2.09 2.06 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 77 D 8.16 3.37 0.00 2.02 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 0.00 0.00 0.00 0.00 78 Y 8.03 3.83 0.00 2.55 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 0.00 0.00 0.00 79 F 8.09 3.92 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 9.19 4.32 0.00 1.93 2.00 0.00 2.07 0.00 0.00 2.05 0.00 0.00 3.27 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.51 1.57 7.81 81 Q 7.69 4.10 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 82 S 7.88 4.06 0.00 3.97 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 83 F 7.13 4.91 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.72 0.00 2.09 2.16 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 85 E 8.27 3.94 0.00 1.99 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 2.37 0.00 86 G 8.19 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 0.00 0.00 0.00 87 Y 7.42 5.36 0.00 3.35 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 88 T 9.25 5.04 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 1.22 0.00 0.00 89 W 7.98 5.51 0.00 3.00 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 90 E 9.28 5.06 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 91 R 9.04 4.70 0.00 2.36 1.88 0.00 2.92 0.00 0.00 2.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.30 0.00 92 S 8.15 4.81 0.00 3.92 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 93 M 8.92 4.45 0.00 1.75 2.12 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.70 0.00 94 N 8.33 4.80 0.00 2.56 2.72 0.00 0.00 6.72 8.02 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 95 F 9.07 5.07 0.00 3.11 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 96 E 8.46 3.96 0.00 2.24 2.16 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 2.52 2.58 0.00 97 D 8.41 4.61 0.00 2.89 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 98 G 8.13 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.77 3.79 0.35 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 0.00 100 V 7.98 4.84 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 0.96 0.00 0.00 0.98 0.00 0.00 101 C 8.58 5.22 0.00 2.95 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 0.00 102 T 8.91 4.90 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 0.00 103 V 8.35 5.06 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 1.01 0.00 0.00 0.96 0.00 0.00 104 S 8.70 4.68 0.00 3.65 3.73 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 0.00 105 N 7.93 5.09 0.00 1.57 1.42 0.00 0.00 6.59 8.07 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 0.00 106 D 8.41 4.75 0.00 2.58 2.36 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 0.00 107 S 9.41 5.88 0.00 3.11 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 0.00 108 S 8.28 5.17 0.00 3.91 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 0.00 109 I 8.21 4.71 1.36 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.16 1.05 0.00 0.00 110 Q 8.10 4.46 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.36 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 111 G 8.06 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 0.00 112 N 8.50 4.65 0.00 2.71 2.79 0.00 0.00 6.23 7.66 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 0.00 113 C 7.08 5.56 0.00 2.98 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 0.00 114 F 9.08 4.70 0.00 2.72 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 0.00 115 I 8.16 4.67 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.98 1.00 0.00 0.00 116 Y 9.08 5.34 0.00 3.01 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 0.00 117 N 9.32 5.15 0.00 2.77 2.67 0.00 0.00 6.47 7.23 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 0.00 118 V 8.46 4.69 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 0.80 0.00 0.00 0.89 0.00 0.00 119 K 8.79 5.02 0.00 1.58 1.64 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.27 7.81 120 I 8.51 5.10 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.76 1.19 0.00 0.00 121 S 9.24 5.23 0.00 3.90 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 0.00 122 G 9.43 4.62 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 0.00 0.00 0.00 123 E 8.14 5.71 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 124 N 9.09 4.41 0.00 2.73 2.91 0.00 0.00 6.89 7.45 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 0.00 125 F 7.99 4.07 0.00 3.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.28 0.00 2.24 2.00 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 127 P 0.00 4.17 0.00 2.05 2.16 0.00 3.94 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 2.05 2.01 0.00 128 N 8.01 4.72 0.00 2.64 2.76 0.00 0.00 6.92 7.98 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 0.00 129 G 7.97 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 0.00 130 P 0.00 4.03 0.00 1.68 1.82 0.00 3.09 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.70 0.00 131 V 7.30 3.58 1.69 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 0.03 0.00 0.00 0.79 0.00 0.00 132 M 7.75 3.97 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 133 Q 7.84 4.25 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.61 2.40 0.00 134 K 7.70 3.68 0.00 1.75 1.66 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.11 1.23 7.81 135 K 8.80 4.42 0.00 1.63 1.71 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.44 7.81 136 T 7.58 4.65 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 1.11 0.00 0.00 137 Q 8.37 4.57 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.93 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 138 G 8.62 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 0.00 139 W 8.42 5.13 0.00 3.34 3.12 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 0.00 140 E 8.86 4.33 0.00 1.91 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 0.00 2.35 2.39 0.00 141 P 0.00 4.42 0.00 1.94 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 2.06 2.16 0.00 142 S 8.93 4.56 0.00 3.72 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 0.00 143 T 8.18 4.87 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 0.00 144 E 9.72 4.50 0.00 1.76 1.63 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 2.15 2.26 0.00 145 R 8.81 4.85 0.00 1.93 1.87 0.00 3.26 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 146 L 8.84 5.22 0.00 1.39 1.41 0.74 0.64 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 0.00 147 F 8.70 5.60 0.00 3.14 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 0.00 148 A 8.68 4.97 1.20 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 0.00 0.00 149 R 9.00 4.32 0.00 1.65 1.65 0.00 3.26 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 150 D 10.02 4.44 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 0.00 151 G 8.48 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 0.00 0.00 0.00 152 M 7.89 5.08 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.39 0.00 153 L 8.02 4.67 0.00 0.29 0.82 0.50 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.16 4.56 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.66 0.92 0.00 0.00 155 G 8.31 5.05 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 0.00 156 N 8.34 5.54 0.00 2.60 2.22 0.00 0.00 6.30 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 D 7.98 4.51 0.00 2.46 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Y 8.59 4.57 0.00 2.86 2.91 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 0.00 159 M 8.70 4.67 0.00 1.67 1.78 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.83 0.00 160 A 8.38 5.28 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 0.00 161 L 9.68 4.79 0.00 1.67 1.57 0.90 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 162 K 8.84 4.13 0.00 1.97 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.58 7.81 163 L 8.50 4.84 0.00 1.57 1.50 0.88 0.57 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 0.00 164 E 7.50 4.55 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 165 G 8.82 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 0.00 166 G 7.99 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 0.00 167 G 7.67 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 0.00 0.00 0.00 168 H 8.62 5.74 0.00 3.03 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 9.44 5.31 0.00 2.93 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 0.00 170 L 9.29 4.83 0.00 1.58 1.56 0.95 0.66 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 0.00 171 C 8.57 4.43 0.00 2.32 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 0.00 172 E 8.89 4.59 0.00 2.23 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.96 0.00 173 F 8.82 4.33 0.00 2.86 2.83 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 0.00 174 K 8.96 4.57 0.00 1.67 1.75 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.36 7.81 175 S 8.39 4.66 0.00 4.01 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 0.00 176 T 8.16 4.67 4.28 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 1.25 0.00 0.00 177 Y 9.15 5.26 0.00 2.88 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 0.00 178 K 8.92 4.64 0.00 1.95 1.80 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.42 7.81 179 A 8.82 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 K 8.77 4.37 0.00 1.85 1.83 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.38 7.81 181 K 7.62 4.63 0.00 1.75 1.71 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.32 7.81 182 P 0.00 4.36 0.00 2.02 1.99 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 183 V 7.64 4.34 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 0.48 0.00 0.00 0.48 0.00 0.00 184 R 9.11 4.17 0.00 1.84 1.96 0.00 3.08 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 185 M 8.42 3.91 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 186 P 0.00 4.63 0.00 1.95 1.97 0.00 3.57 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 1.82 2.24 0.00 187 G 7.91 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 0.00 188 R 8.04 4.02 0.00 1.87 1.96 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 189 H 8.98 4.92 0.00 3.28 3.47 0.00 5.21 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 E 9.43 5.25 0.00 1.78 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 191 I 8.79 4.74 1.72 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 1.06 0.80 0.80 0.00 0.00 192 D 9.05 5.48 0.00 2.50 2.55 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 0.00 193 R 9.13 5.58 0.00 1.55 1.68 0.00 2.93 0.00 0.00 3.26 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.24 0.00 194 K 8.36 4.61 0.00 1.77 1.63 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.44 7.81 195 L 8.36 4.89 0.00 1.65 1.63 1.09 1.23 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 0.00 196 D 8.81 5.02 0.00 2.66 2.59 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 0.00 197 V 8.88 4.05 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 0.77 0.00 0.00 1.22 0.00 0.00 198 T 9.09 4.48 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 1.27 0.00 0.00 199 S 7.65 4.68 0.00 3.74 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 0.00 200 H 7.85 5.04 0.00 2.64 2.72 0.00 5.53 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 N 8.58 4.46 0.00 2.81 2.89 0.00 0.00 7.09 6.97 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 0.00 202 R 8.67 3.90 0.00 1.81 2.06 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 203 D 8.01 4.70 0.00 2.81 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 0.00 204 Y 7.61 3.25 0.00 3.01 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 0.00 205 T 8.21 4.39 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 1.34 0.00 0.00 206 S 8.93 4.96 0.00 3.61 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 0.00 207 V 7.87 4.59 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 -0.05 0.00 0.00 -0.34 0.00 0.00 208 E 9.31 5.04 0.00 1.79 1.73 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 2.13 2.15 0.00 209 Q 8.35 5.02 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.62 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 210 C 8.40 4.92 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.76 5.46 0.00 2.05 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 212 I 8.46 5.22 1.87 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 1.29 0.91 0.92 0.00 0.00 213 A 9.16 5.09 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 0.00 214 I 8.84 4.95 1.83 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 1.15 0.70 0.85 0.00 0.00 215 A 7.91 5.65 0.50 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 0.00 216 R 7.58 4.25 0.00 1.83 1.97 0.00 2.94 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 217 H 8.91 4.79 0.00 3.07 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 S 8.42 4.84 0.00 3.89 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 0.00 219 L 8.34 4.36 0.00 1.55 1.49 0.92 0.74 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 * Residues marked with a * may have inaccurate shift predictions.