NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3117 8.1749 110.9508 61.2424 70.6241 172.9719 4 T 4.3055 7.8457 118.9796 61.6629 69.8240 172.8820 5 N 4.6859 9.6757 126.7329 51.7710 39.2472 174.4798 6 H 4.0287 8.5873 121.8678 57.6486 29.0080 176.3379 7 D 4.6119 8.1606 118.3463 55.5104 41.2320 176.0467 8 H 5.2193 8.4802 116.9836 54.9228 30.7654 174.1206 9 H 4.8671 8.9520 119.3745 54.7773 33.8736 171.9491 10 I 4.8167 7.8774 124.7181 59.6260 40.2748 173.9516 11 Y 4.8878 9.4331 125.6762 56.1892 40.5443 175.1458 12 V 4.3861 8.3378 126.1006 61.7448 32.5683 175.1498 13 L 4.9514 8.3909 129.2697 53.6143 43.3139 177.0134 *15 G 4.0275 8.4293 110.2093 45.2150 0.0000 172.6399 16 V 4.0455 7.7903 112.0000 60.3588 32.2411 176.0809 17 S 4.1359 8.5488 116.7612 60.5067 62.3737 174.7290 18 G 3.9533 9.1739 115.2623 45.7247 0.0000 173.5074 19 S 4.4482 7.8078 112.0754 57.7012 63.5299 175.0047 20 G 3.9005 8.0716 108.9938 46.6382 0.0000 175.4793 21 K 3.8947 8.2537 120.1865 59.8787 31.9848 178.8665 22 S 4.2090 8.1556 114.0863 61.6944 62.7023 176.6082 23 A 4.0006 7.9377 122.9732 54.8665 18.0904 179.8161 24 V 3.4621 7.9103 116.5882 66.1154 31.6447 178.0978 25 A 3.8319 8.0745 120.7451 55.1438 18.1800 179.7251 26 S 3.3382 7.4636 113.4230 61.3959 62.8159 176.5766 27 E 3.8148 7.6345 121.8826 59.3889 29.3678 178.9335 28 V 3.4787 7.9965 118.4083 65.9847 31.4742 177.8510 29 A 3.9379 8.1112 120.9523 55.1854 18.1215 179.1663 30 H 4.1117 8.2149 116.8870 59.4638 29.7390 177.4760 31 Q 3.8839 8.1115 119.0981 58.5196 28.6815 178.0431 32 L 4.3642 7.9203 116.6598 53.7237 42.5879 175.9855 33 H 3.9306 7.4997 114.7216 56.8282 26.7675 174.1539 34 A 4.7900 8.0315 119.3813 50.2073 21.4187 177.9658 35 A 4.3592 8.5331 120.9871 52.0903 19.9166 176.8351 36 F 5.4166 8.5885 121.9102 56.6451 42.9421 173.4306 37 L 4.1288 8.6760 127.9219 52.8227 44.9480 175.1830 38 D 4.1979 7.8286 127.0677 53.4072 40.7758 176.8561 39 G 3.7404 8.4687 115.3393 47.2373 0.0000 173.4512 40 D 4.3833 7.8906 120.2369 57.7376 40.9251 178.4288 41 F 4.5815 7.2221 116.4924 60.1242 38.9562 176.6099 42 L 4.5151 7.8684 116.3294 54.2304 42.2497 176.7061 43 H 4.1136 7.7871 117.5786 55.2329 29.4050 173.6041 44 P 4.5086 0.0000 0.0000 61.9082 32.4722 177.1040 45 R 3.8123 8.8566 122.4250 59.9556 29.8239 178.1293 46 R 3.8272 8.1238 117.4580 60.1075 29.6735 177.6007 47 N 4.2053 7.9219 114.8545 56.5551 38.5699 177.2345 48 I 3.7961 7.4656 119.7842 64.1119 37.6236 177.5757 49 E 4.0983 8.1250 119.4289 59.4016 29.3541 179.3481 50 K 3.6010 7.7796 116.7515 58.0702 31.6013 177.5934 *52 A 4.2761 7.9483 122.2870 52.0283 20.3295 179.7192 53 S 4.1817 8.3382 110.0978 59.9282 63.1240 175.0260 54 G 4.0682 7.1832 108.1794 45.2762 0.0000 173.3943 55 E 4.4177 8.0835 119.9604 54.2918 30.5984 174.3181 56 P 4.4663 0.0000 0.0000 62.0881 32.3524 176.3124 57 L 4.3860 8.2862 122.2914 54.4335 42.4327 175.0014 58 N 5.1910 9.0342 117.5753 50.6916 40.4472 175.0364 59 D 4.6955 8.9480 116.7999 58.0626 40.7588 179.0368 60 D 4.6321 8.1132 115.6775 56.3412 41.2597 177.9024 61 D 4.5175 8.1782 119.1717 57.0345 41.0733 178.2164 62 R 4.3619 7.8721 118.2798 58.0173 30.2285 178.3919 63 K 3.8614 7.9044 119.7251 59.4534 31.9222 176.7654 64 P 4.4936 0.0000 0.0000 65.0212 31.4458 177.9085 65 W 4.4103 8.0084 128.2240 60.4130 30.8555 177.5731 66 L 3.3919 8.3764 119.1995 57.9347 41.0622 179.3084 67 Q 3.8639 8.5037 119.3362 59.3483 28.9131 178.5242 68 A 4.0509 8.1801 121.8278 54.8823 18.3136 179.6412 69 L 3.8257 7.4151 117.3474 57.5975 41.7061 178.9181 70 N 4.1995 8.1613 117.3995 56.8466 38.9242 176.7551 71 D 4.4097 8.0918 120.0916 57.3139 40.6650 178.6555 72 A 4.0263 7.8598 120.2780 54.7660 18.3872 179.2346 73 A 4.0291 8.0014 119.1060 55.1523 18.5156 179.2305 74 F 4.3976 7.8676 117.3588 61.4262 39.3576 177.5939 75 A 3.7970 7.9429 116.7069 53.3169 17.9320 178.7628 *77 Q 4.2109 7.9744 118.0242 57.0090 30.6593 176.6827 78 R 3.9519 7.5634 117.6388 59.0337 30.0388 177.5093 79 T 4.6676 7.7269 102.6965 60.7783 69.7815 172.8412 80 N 4.9978 7.7531 118.2704 51.4748 42.2235 174.5123 81 K 3.9324 8.6463 121.8941 58.7453 33.6517 177.1370 82 V 4.9934 7.7354 119.3191 61.1226 34.7595 174.4526 83 S 5.3004 9.2623 123.4789 56.6843 66.5201 172.8694 84 L 5.4156 9.1470 124.1332 53.0527 44.6747 175.4687 85 I 4.9079 9.2163 124.6239 59.3253 40.6619 174.8857 86 V 4.3046 8.4255 127.9707 62.8669 32.6287 174.6780 87 C 4.8590 8.8464 126.4652 58.7169 34.2077 173.4695 88 S 4.3877 10.0202 121.3151 59.6808 62.5958 174.7110 89 A 3.9776 8.2473 121.1705 52.0969 16.3157 177.4723 90 L 4.0503 8.3804 121.7738 58.9291 42.3627 178.5824 91 K 4.5087 7.7257 116.5321 54.9137 34.6868 177.7004 92 K 3.7926 8.4235 122.5239 59.8293 32.1080 178.9545 93 H 4.1944 7.8421 118.2020 59.3454 29.7538 176.7371 94 Y 4.2364 7.3107 118.1801 61.0165 37.6693 178.4530 95 R 4.0154 7.8219 118.9772 59.3433 29.9928 178.5993 96 D 4.3978 8.1464 118.6295 57.6828 40.6584 179.1093 97 L 4.0173 7.7676 117.8105 57.6055 41.5876 179.1957 98 L 4.1780 7.5215 118.0281 57.4598 41.9885 179.1505 99 R 4.2305 8.3956 118.2028 57.8048 29.6964 176.2106 100 E 4.0350 7.3532 118.4992 58.0681 29.3908 177.2620 101 G 3.8383 8.9898 111.7629 45.7276 0.0000 172.7397 102 N 5.1836 8.1330 116.0320 50.9721 38.8373 173.8480 103 P 4.2554 0.0000 0.0000 65.5164 32.1862 176.8364 104 N 4.7874 7.9359 115.9446 52.9052 38.5171 174.0195 105 L 4.9072 7.8682 121.3848 54.2568 44.6174 175.3306 106 S 4.7853 8.6540 119.3933 57.1652 67.4180 172.0741 107 F 5.3088 9.4197 117.4851 55.9278 42.1779 174.8609 108 I 4.8960 8.8922 123.7359 60.0009 39.3742 174.3958 109 Y 4.9014 9.3979 130.8901 56.0831 39.5462 174.8967 110 L 4.3650 8.7145 127.9199 54.5820 41.6685 176.5237 111 K 4.0524 8.4456 126.4080 54.7125 34.3384 175.3830 112 G 4.3716 8.0335 110.6127 45.2545 0.0000 172.9065 113 D 5.2214 7.9222 121.4208 51.3368 43.0939 176.6847 114 F 3.1898 8.2034 119.8654 61.6599 39.0113 176.8094 115 D 4.3072 8.0497 117.5560 57.2478 40.4910 178.5942 116 V 3.5337 6.9076 116.1794 66.1479 31.8206 177.8616 117 I 3.7897 7.6579 119.1336 64.2976 37.0284 177.7589 118 E 3.7241 7.8587 120.5965 59.3756 29.2200 178.6838 119 S 4.3285 8.2816 110.4380 59.6226 63.0668 175.1262 120 R 4.2027 7.9643 123.0588 58.8813 30.7936 178.0084 121 L 4.6960 7.8424 124.2907 53.2555 43.0211 180.4808 *130 K 4.1572 8.3951 119.6364 57.2796 32.7484 175.8558 131 T 4.0373 8.2584 124.4696 67.8805 69.0430 176.8981 132 Q 4.2698 7.6384 120.3527 56.2878 28.0348 177.6120 *134 L 4.4189 8.0133 120.2363 54.6076 44.0608 178.8046 135 V 3.8144 8.2189 117.9858 66.4826 31.3611 178.2510 136 T 4.0111 8.2541 115.4715 66.4615 68.2547 176.6599 137 Q 4.0462 8.2631 119.6316 59.3718 28.6412 178.8367 138 F 4.1304 7.9834 116.4257 60.6856 38.9994 177.2080 139 E 4.1712 7.8878 118.4704 59.4557 29.5530 178.5092 140 T 4.1895 7.9344 114.7531 64.5604 68.9404 175.1691 141 L 4.0564 7.9116 123.6707 55.5747 42.6590 176.6811 142 Q 4.5164 8.7024 125.9829 53.8193 30.2606 175.3212 143 E 3.9030 8.6273 124.2632 55.4434 30.3467 175.6047 144 P 4.3227 0.0000 0.0000 61.9342 32.1666 176.6979 145 G 3.9757 7.8376 109.4604 43.6029 0.0000 173.7346 146 A 4.0262 8.6125 121.5757 54.9143 18.1668 177.9966 147 D 4.6818 7.9812 113.8394 53.2349 39.1883 176.1327 148 E 4.5270 8.2587 120.0528 55.1325 31.1559 176.5686 149 T 4.0853 8.5892 115.5595 63.8242 69.5631 174.6521 150 D 5.0155 7.9658 121.5327 53.6241 40.6281 176.2693 151 V 4.9953 7.9537 118.7797 62.4589 34.0158 174.3712 152 L 4.9232 9.3873 128.0827 53.1569 44.6230 175.6117 153 V 4.9038 8.3061 120.1906 61.1620 34.4895 174.6861 154 V 4.3738 8.5430 126.8303 60.9604 34.5056 174.0623 155 D 4.8046 8.6530 127.6530 53.4496 41.0582 175.4405 156 I 4.0113 8.4555 119.5355 60.7461 38.0157 176.5703 157 D 4.6262 8.3064 124.6143 52.8206 39.6867 174.0493 158 Q 4.5730 7.0979 117.9893 54.1720 33.6186 173.0729 159 P 4.3823 0.0000 0.0000 62.2927 32.2464 177.3520 160 L 3.8741 8.7660 123.7541 58.7218 41.8639 179.3500 161 E 4.1540 8.3881 116.7673 59.5989 29.1696 179.1342 162 G 3.6169 8.3345 106.6991 47.1312 0.0000 176.1436 163 V 3.5455 7.6256 120.0554 65.7615 31.6635 177.9882 164 V 3.4951 8.1624 118.1753 66.1672 31.3022 177.8361 165 A 4.0155 7.9525 120.2637 55.2858 17.5707 179.7833 166 S 4.0787 8.0534 113.7473 61.7993 62.8166 176.9014 167 T 4.0364 8.1765 118.9826 66.4835 68.1520 176.7551 168 I 3.6261 8.2347 122.0112 64.2927 37.4314 177.8036 169 E 4.0901 8.3864 118.6203 57.7957 29.1180 177.7189 170 V 4.2364 6.8973 116.3268 64.4275 33.3102 176.9642 171 I 3.5572 7.2211 119.0572 63.2923 37.0473 177.4419 172 K 4.3368 7.7962 117.1141 56.4409 32.4377 176.8233 173 K 4.1608 7.5025 122.5353 57.0184 32.6235 176.7362 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 3 T 8.17 4.31 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 4 T 7.85 4.31 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 0.95 0.00 0.00 5 N 9.68 4.69 0.00 2.54 2.51 0.00 0.00 6.95 8.71 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 6 H 8.59 4.03 0.00 3.16 3.38 0.00 5.94 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.16 4.61 0.00 2.81 2.75 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 8 H 8.48 5.22 0.00 3.12 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.95 4.87 0.00 3.18 2.96 0.00 5.72 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 10 I 7.88 4.82 1.65 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.79 0.00 0.00 11 Y 9.43 4.89 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 12 V 8.34 4.39 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 0.99 0.00 0.00 0.47 0.00 0.00 13 L 8.39 4.95 0.00 1.72 1.64 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 *15 G 8.43 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.79 4.05 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 0.54 0.00 0.00 0.89 0.00 0.00 17 S 8.55 4.14 0.00 4.03 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 18 G 9.17 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.81 4.45 0.00 3.98 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 20 G 8.07 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 0.00 0.00 0.00 21 K 8.25 3.89 0.00 1.86 1.98 0.00 1.84 0.00 0.00 1.99 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.60 1.63 7.81 22 S 8.16 4.21 0.00 3.92 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 23 A 7.94 4.00 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 24 V 7.91 3.46 2.20 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 1.03 0.00 0.00 0.94 0.00 0.00 25 A 8.07 3.83 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.46 3.34 0.00 3.73 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.63 3.81 0.00 2.08 1.87 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 2.27 2.32 0.00 28 V 8.00 3.48 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 0.95 0.00 0.00 0.88 0.00 0.00 29 A 8.11 3.94 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 30 H 8.21 4.11 0.00 3.15 3.38 0.00 5.60 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 31 Q 8.11 3.88 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 32 L 7.92 4.36 0.00 1.69 1.69 0.86 1.40 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 33 H 7.50 3.93 0.00 3.23 3.37 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.03 4.79 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 35 A 8.53 4.36 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 36 F 8.59 5.42 0.00 2.92 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.68 4.13 0.00 1.55 1.30 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.83 4.20 0.00 2.29 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.47 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.89 4.38 0.00 2.75 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 41 F 7.22 4.58 0.00 3.09 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 42 L 7.87 4.52 0.00 1.94 1.85 0.93 1.04 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 43 H 7.79 4.11 0.00 3.12 3.01 0.00 5.67 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 44 P 0.00 4.51 0.00 2.19 1.99 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 45 R 8.86 3.81 0.00 1.87 1.96 0.00 3.21 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 46 R 8.12 3.83 0.00 1.90 1.92 0.00 3.25 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 47 N 7.92 4.21 0.00 2.70 2.58 0.00 0.00 7.21 7.60 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 48 I 7.47 3.80 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.61 0.87 0.00 0.00 49 E 8.13 4.10 0.00 2.15 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 2.31 2.46 0.00 50 K 7.78 3.60 0.00 1.79 1.87 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.40 1.61 7.81 *52 A 7.95 4.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.34 4.18 0.00 3.94 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 54 G 7.18 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.08 4.42 0.00 2.08 1.87 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 2.30 2.22 0.00 56 P 0.00 4.47 0.00 2.20 2.07 0.00 3.77 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 1.99 2.00 0.00 57 L 8.29 4.39 0.00 1.60 1.70 0.71 0.99 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 58 N 9.03 5.19 0.00 2.93 2.96 0.00 0.00 7.38 7.63 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 59 D 8.95 4.70 0.00 2.84 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 60 D 8.11 4.63 0.00 2.70 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 61 D 8.18 4.52 0.00 2.79 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 62 R 7.87 4.36 0.00 1.77 1.89 0.00 2.83 0.00 0.00 2.82 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 63 K 7.90 3.86 0.00 1.95 1.90 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.58 7.81 64 P 0.00 4.49 0.00 2.32 2.22 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 65 W 8.01 4.41 0.00 3.36 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.38 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0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.15 5.42 0.00 1.92 1.74 0.95 0.89 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 85 I 9.22 4.91 1.79 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 1.04 0.82 0.80 0.00 0.00 86 V 8.43 4.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.21 0.00 0.00 87 C 8.85 4.86 0.00 2.77 2.65 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 88 S 10.02 4.39 0.00 4.13 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 0.00 89 A 8.25 3.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.38 4.05 0.00 1.90 1.78 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.73 4.51 0.00 0.79 1.11 0.00 0.95 0.00 0.00 1.43 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.22 1.16 7.81 92 K 8.42 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0.00 0.00 0.00 0.00 7.77 6.59 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 143 E 8.63 3.90 0.00 1.88 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 2.40 2.39 0.00 144 P 0.00 4.32 0.00 1.97 1.95 0.00 3.63 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 145 G 7.84 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 0.00 146 A 8.61 4.03 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 0.00 147 D 7.98 4.68 0.00 2.78 2.75 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 0.00 148 E 8.26 4.53 0.00 1.96 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 2.14 0.00 149 T 8.59 4.09 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 1.23 0.00 0.00 150 D 7.97 5.02 0.00 2.91 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 0.00 151 V 7.95 5.00 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 0.95 0.00 0.00 0.93 0.00 0.00 152 L 9.39 4.92 0.00 1.67 1.59 1.00 0.62 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 0.00 153 V 8.31 4.90 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 0.69 0.00 0.00 1.06 0.00 0.00 154 V 8.54 4.37 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 0.94 0.00 0.00 0.92 0.00 0.00 155 D 8.65 4.80 0.00 2.70 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 0.00 156 I 8.46 4.01 1.85 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 1.41 0.70 0.89 0.00 0.00 157 D 8.31 4.63 0.00 2.59 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 0.00 158 Q 7.10 4.57 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 159 P 0.00 4.38 0.00 2.16 1.95 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 160 L 8.77 3.87 0.00 1.73 1.69 0.90 0.83 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 0.00 161 E 8.39 4.15 0.00 2.21 2.20 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 2.35 2.38 0.00 162 G 8.33 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 0.00 163 V 7.63 3.55 2.25 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 1.07 0.00 0.00 0.91 0.00 0.00 164 V 8.16 3.50 2.20 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 0.90 0.00 0.00 0.94 0.00 0.00 165 A 7.95 4.02 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 0.00 166 S 8.05 4.08 0.00 3.98 3.89 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 0.00 167 T 8.18 4.04 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 1.12 0.00 0.00 168 I 8.23 3.63 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 0.86 0.00 0.00 169 E 8.39 4.09 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 170 V 6.90 4.24 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 0.90 0.00 0.00 0.99 0.00 0.00 171 I 7.22 3.56 1.76 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.33 0.75 0.00 0.00 172 K 7.80 4.34 0.00 1.70 1.83 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.39 7.81 173 K 7.50 4.16 0.00 1.94 2.08 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.