NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 H 4.6976 8.2876 120.3981 56.0645 30.9048 173.9619 8 H 4.2376 8.3479 121.8954 55.7514 28.4976 174.8168 9 S 4.3502 8.5766 115.3939 60.2008 65.1263 176.0602 10 H 4.8331 7.5443 118.9850 55.9557 28.3204 175.1485 *12 N 4.8109 8.8372 122.2609 54.1494 40.2734 174.2475 13 Q 4.7383 7.9519 114.5748 54.1244 31.5169 175.4407 14 L 4.6644 8.5151 120.3239 55.2578 43.0510 177.0508 15 T 4.7739 7.4525 106.9756 61.2957 70.7278 173.1345 16 Q 3.7120 6.8652 118.3688 55.3751 31.5931 172.5022 17 Y 4.7992 8.5620 119.9523 56.0763 42.2750 173.8030 18 T 4.7352 7.5254 121.9493 61.6107 71.4032 173.4777 19 I 4.3892 8.3261 127.3256 59.5037 39.7406 175.9117 20 T 4.3790 9.1656 118.2867 60.5572 70.1462 175.4974 21 E 3.9097 8.2977 120.8803 59.9471 29.4577 179.7859 22 Q 4.0751 7.9765 118.7652 59.0841 29.2017 177.9204 23 E 4.0429 8.3101 119.6775 59.5533 29.5067 179.3562 24 I 3.8771 7.8364 119.7736 64.5035 37.0758 178.2538 25 N 4.3932 8.4386 117.4525 56.4941 38.5036 177.5652 26 Q 4.0079 8.1259 119.2839 58.7387 28.8154 178.5688 27 S 4.0064 8.2931 114.1670 61.4613 62.4533 175.9692 28 L 4.0968 8.4165 121.8456 58.1207 41.1988 179.3963 29 A 3.8758 8.0593 119.3450 55.0365 18.2473 179.7082 30 K 4.0744 7.5969 115.7270 60.0215 32.4865 179.0086 31 H 4.8540 8.4096 114.7670 56.9373 28.9743 175.1263 32 N 4.8750 8.8086 119.5506 53.6450 38.2456 174.7477 33 N 5.0538 8.7940 126.9919 52.2304 39.4931 176.1539 34 F 3.2221 8.3848 121.6510 58.0921 40.7009 175.2047 35 S 4.6778 7.6381 121.9141 56.9366 64.0443 172.6768 36 K 4.5262 8.3404 125.6737 54.4891 36.7628 174.8967 37 D 5.4815 8.5199 121.1831 52.8588 42.7928 176.2054 38 I 4.4949 9.2441 116.0087 60.3756 40.7282 174.0519 39 G 3.2218 8.9015 108.7409 43.9520 0.0000 173.7946 40 L 4.4318 8.4881 123.1613 51.8896 42.9183 174.1336 41 P 4.2583 0.0000 0.0000 64.1919 31.6183 177.5284 42 G 3.9084 8.9373 110.3270 45.3995 0.0000 172.9546 43 V 4.2025 7.5805 115.8229 63.4732 33.5383 176.4793 44 A 4.4589 7.4656 129.1733 51.2293 21.1077 173.7525 45 D 4.9971 8.9693 120.6313 53.5169 43.9146 174.3262 46 A 5.0471 9.1177 128.7868 50.3750 22.1633 174.2524 47 H 5.1125 8.9249 121.9384 54.7687 31.9904 173.6424 48 I 5.1054 8.5829 125.8399 59.1630 41.3055 173.8091 49 V 4.9715 8.8648 129.1227 61.0215 34.1037 173.6251 50 L 5.2644 8.8041 130.2042 53.6687 43.8168 175.2969 51 T 4.7100 8.8180 115.4521 59.8019 73.0821 172.8305 52 N 4.4332 8.7326 115.3699 54.3283 35.7160 175.0368 53 L 4.4649 8.0674 117.8859 55.1218 42.5451 177.3898 54 T 4.8012 9.0323 121.2102 61.6237 71.8619 173.4250 55 S 5.2857 8.8373 119.4209 56.7684 66.1350 173.3077 56 Q 4.6836 9.2907 120.1253 54.3753 32.3007 174.3032 57 I 4.3568 10.0490 127.0293 59.6969 38.9838 176.5468 58 G 4.2423 8.3581 117.9924 47.0192 0.0000 174.0166 59 R 4.5205 8.0126 117.2399 56.2338 33.9215 177.6607 60 E 4.1457 8.3884 114.8246 56.5776 27.8452 178.5885 61 E 4.0077 9.3731 127.6683 56.7175 30.3848 175.8360 62 P 4.1722 0.0000 0.0000 65.1361 31.4846 176.7307 63 N 4.8047 8.0638 112.0444 52.2858 37.9069 174.0148 64 K 4.7447 8.0420 118.6380 54.8876 36.1441 174.9969 65 V 4.8794 8.4342 120.7666 61.5641 34.7854 174.4372 66 T 5.2153 8.8987 121.7030 61.8221 72.4504 173.0407 67 L 5.3637 8.8089 123.2161 53.2770 46.2695 175.5516 68 T 5.0366 8.9179 113.0500 60.3233 71.9306 173.2216 69 G 4.4806 8.6318 109.2773 45.8773 0.0000 171.1564 70 D 5.4779 8.9163 119.1873 52.3103 43.6493 175.7729 71 A 5.2864 8.4528 122.0760 50.2693 23.0176 174.3873 72 N 5.3033 9.0650 117.6211 51.4481 41.6865 173.8942 73 L 5.3272 9.1107 122.7475 53.2289 46.1190 175.4738 74 D 5.0781 8.6032 121.2654 52.4867 44.9631 174.5463 *76 N 4.9748 8.3991 114.8447 53.9144 40.4810 174.1490 77 S 4.7428 9.0225 115.8174 56.3236 66.0591 174.7971 78 L 3.8802 8.2835 122.4196 58.1055 39.9487 177.9396 79 F 4.8401 8.4111 115.5423 56.8137 39.9310 176.1271 80 G 3.9606 6.6318 107.7992 45.8560 0.0000 171.3470 81 S 4.9147 7.8844 112.9117 57.1218 66.0590 172.8177 82 Q 4.5370 8.1230 120.6120 54.3074 31.8828 174.3698 83 K 4.5976 8.5294 123.6152 56.5354 33.1177 176.0320 84 A 5.0055 9.2125 124.3933 50.7864 23.4704 175.0175 85 T 5.0388 8.5606 109.0315 58.5162 73.0689 172.2590 *87 K 4.3771 8.3462 120.7694 56.4947 33.6469 174.5717 88 L 5.2392 8.7685 126.3554 52.7465 45.4913 175.1668 89 K 5.0210 9.2611 123.4879 54.6928 35.0699 174.8537 90 L 5.4173 9.0618 126.2792 52.8451 46.0589 175.4252 91 K 5.1331 8.8023 118.7698 55.7169 36.0725 174.9775 92 A 4.6969 8.7867 121.9720 51.0663 23.7306 174.7691 93 L 4.8603 8.9485 121.4419 52.6477 44.1204 173.9479 94 P 5.0003 0.0000 0.0000 62.7891 32.1068 176.5758 95 V 4.6388 9.1858 117.2300 59.6120 36.0205 174.1396 96 F 5.1494 9.0736 127.0203 57.1942 40.8437 174.1781 97 D 4.5995 8.4662 126.6585 52.4773 42.2309 176.9875 98 K 3.8101 8.5942 126.7682 59.5902 32.5777 179.1781 99 E 3.9228 8.3725 116.9338 59.5670 29.2871 178.5624 100 K 4.0658 8.3990 115.0450 56.2918 33.1310 176.9771 101 G 3.8829 7.6243 107.4350 46.2133 0.0000 172.6628 102 A 5.1065 7.4730 118.2218 50.1330 23.6972 176.4626 103 I 4.9191 9.1809 122.0766 59.9175 39.4012 174.8412 104 F 5.0223 9.3431 125.8906 55.8088 41.8954 175.1761 105 L 4.6342 8.7958 123.4687 53.8442 41.0149 176.3809 106 K 5.0735 9.0329 123.8026 55.0240 34.3593 173.0483 107 E 3.7985 8.9081 127.2009 55.7183 29.5033 174.0375 *109 E 4.3238 8.1432 118.2605 56.0357 31.6739 174.7016 110 V 4.0460 8.7226 121.6141 63.2662 31.5690 175.8859 111 V 3.9826 9.2655 129.6984 65.2966 32.0907 175.6588 112 D 5.0126 7.8478 117.8454 52.8689 45.6014 174.0037 113 A 5.2337 8.4358 121.3388 50.7678 22.3707 175.5847 114 T 4.6513 8.7458 111.6305 59.7649 71.2801 173.5889 115 V 4.7001 8.4780 124.0941 61.1836 34.3930 174.3913 116 Q 4.8510 8.7411 125.6699 53.4207 32.4768 173.9528 117 P 4.8747 0.0000 0.0000 61.5918 32.9818 175.9239 118 E 4.0395 8.8207 118.6640 59.4073 28.6665 180.0621 119 K 4.1548 7.8018 121.5194 56.0033 31.2839 178.1965 *121 Q 4.3108 8.1362 118.0262 56.3457 30.9980 177.5669 122 T 4.0168 7.7725 113.8495 66.6281 68.8803 177.2696 123 V 3.4117 7.2665 114.7388 63.7655 30.7992 177.1415 *125 Q 4.2743 8.1878 121.0280 56.0071 30.4707 177.3702 126 T 3.9931 7.8784 113.3375 66.2143 68.6772 175.8398 127 L 4.5571 8.0249 119.0611 54.9713 41.9000 178.1766 128 L 3.9800 7.6045 121.5267 58.2080 41.9852 177.3074 129 P 4.3010 0.0000 0.0000 65.5103 31.2574 178.3003 130 Y 4.0398 8.0093 115.5430 60.7791 37.7941 177.8444 131 L 4.1194 8.3529 121.4513 58.1894 42.2042 178.6136 132 N 4.3237 8.5769 116.8906 56.4394 38.5406 176.9214 133 Q 3.9814 8.1808 120.4892 59.4016 29.1298 178.4738 134 A 4.1787 8.2804 121.5917 55.0501 18.3177 179.6748 135 L 4.2329 8.4666 118.0341 58.1809 41.7438 179.9918 136 R 4.1361 8.3945 116.0799 59.1951 29.0558 178.5548 137 N 4.3596 8.4880 117.4118 56.2461 38.5540 176.6535 138 Y 3.8632 8.3706 120.8562 60.8685 38.8632 177.7844 139 F 4.4586 8.4998 116.3043 59.2283 39.6343 177.2023 140 N 4.5844 8.7330 116.8592 55.2309 38.1203 176.2155 141 Q 4.3723 7.5068 116.6349 55.3216 30.8091 175.0605 142 Q 4.3154 7.6963 119.4305 53.1490 29.1295 173.3735 143 P 3.6953 0.0000 0.0000 62.4329 31.9196 176.2556 144 A 4.4481 8.5084 122.1946 54.4621 19.5568 177.4913 145 Y 4.5637 7.6094 116.1573 56.4147 42.5378 173.6905 146 V 4.5651 7.5664 126.1190 60.6509 33.9291 174.8896 147 L 4.4765 8.8380 129.0606 55.1351 41.8441 177.2903 148 R 4.5447 9.6230 123.5925 54.9148 31.9352 176.3224 149 E 4.3453 8.5579 118.4415 57.1839 30.1731 176.8674 150 D 5.0272 8.0188 117.8264 52.9170 40.7439 177.1578 151 G 4.1686 7.6334 109.8560 45.9796 0.0000 175.5513 152 S 4.3323 8.5083 119.1320 58.3164 64.7923 175.1101 153 Q 4.0696 8.6497 123.8785 59.1817 28.9386 178.3652 154 G 3.9502 8.0882 105.8168 47.8557 0.0000 174.8103 155 E 3.0638 7.8710 121.2654 58.2821 29.6603 178.9545 156 A 3.6839 7.6526 117.6206 52.9747 18.5223 178.8123 *158 A 4.3163 7.9148 124.7144 53.5617 20.6216 179.8315 159 K 3.9791 7.9965 115.5946 59.5812 32.3484 178.0184 160 K 4.0998 7.8180 118.0740 58.5288 32.1470 177.2747 161 L 4.4132 7.5278 115.3339 54.1089 43.1102 176.0307 162 A 4.0209 8.0487 121.8473 53.0351 18.7853 178.8452 163 K 4.3259 8.5405 126.7844 55.2913 31.1105 176.8911 164 G 3.9332 7.7465 108.6564 44.4905 0.0000 170.6642 165 I 4.7532 7.9555 110.6449 58.9617 41.2807 174.4573 166 E 4.5783 9.2899 123.0704 54.4658 32.7342 174.2136 167 V 4.3158 8.5056 127.2064 61.9506 32.6745 175.1761 168 K 4.6248 8.5272 126.6267 53.2572 35.2206 173.7329 169 P 4.5493 0.0000 0.0000 64.7579 31.0848 177.3045 170 G 3.9867 10.5253 112.3059 44.4667 0.0000 172.0984 171 E 4.7536 7.5950 115.0823 55.7447 33.4744 174.5455 172 I 4.5728 8.5970 122.3101 59.7039 39.5667 174.7813 173 V 4.4879 8.7121 127.8641 61.2826 33.7726 174.5920 174 I 4.5624 8.5026 128.9413 58.9195 39.0667 173.3240 175 P 4.5246 0.0000 0.0000 62.5087 32.1237 177.4711 176 F 4.9036 8.7467 121.1411 58.5106 39.9855 176.1013 177 T 4.1911 7.7986 117.5642 62.0214 67.4356 173.2176 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 7 H 8.29 4.70 0.00 3.25 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.35 4.24 0.00 3.36 3.38 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.58 4.35 0.00 3.93 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 10 H 7.54 4.83 0.00 3.21 3.01 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 N 8.84 4.81 0.00 2.74 2.93 0.00 0.00 6.61 7.08 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 13 Q 7.95 4.74 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.65 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 14 L 8.52 4.66 0.00 1.66 1.78 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.45 4.77 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 1.21 0.00 0.00 16 Q 6.87 3.71 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.73 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 17 Y 8.56 4.80 0.00 3.26 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 18 T 7.53 4.74 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 1.07 0.00 0.00 19 I 8.33 4.39 1.59 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.34 0.00 0.00 20 T 9.17 4.38 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 1.17 0.00 0.00 21 E 8.30 3.91 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 22 Q 7.98 4.08 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 23 E 8.31 4.04 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 24 I 7.84 3.88 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 0.95 0.00 0.00 25 N 8.44 4.39 0.00 2.94 2.88 0.00 0.00 7.05 8.05 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 26 Q 8.13 4.01 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 27 S 8.29 4.01 0.00 4.16 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 28 L 8.42 4.10 0.00 1.96 1.81 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.06 3.88 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.60 4.07 0.00 1.68 1.79 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.55 7.81 31 H 8.41 4.85 0.00 3.15 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.81 4.87 0.00 2.98 3.19 0.00 0.00 6.97 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.79 5.05 0.00 2.81 2.76 0.00 0.00 6.96 6.84 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 34 F 8.38 3.22 0.00 2.59 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 35 S 7.64 4.68 0.00 3.78 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.34 4.53 0.00 1.07 1.34 0.00 1.49 0.00 0.00 1.31 0.00 0.00 2.41 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.70 7.81 37 D 8.52 5.48 0.00 2.54 2.57 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 0.00 0.00 0.00 0.00 38 I 9.24 4.49 1.98 0.00 0.00 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 1.36 1.29 1.02 0.00 0.00 39 G 8.90 3.22 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 40 L 8.49 4.43 0.00 1.49 1.50 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.26 0.00 1.99 1.97 0.00 3.67 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 2.00 2.06 0.00 42 G 8.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.58 4.20 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 0.77 0.00 0.00 0.89 0.00 0.00 44 A 7.47 4.46 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 0.00 0.00 45 D 8.97 5.00 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.12 5.05 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 47 H 8.92 5.11 0.00 3.36 3.19 0.00 5.72 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 48 I 8.58 5.11 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.39 1.16 0.00 0.00 49 V 8.86 4.97 2.12 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 0.99 0.00 0.00 0.95 0.00 0.00 50 L 8.80 5.26 0.00 1.76 1.66 0.92 0.53 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 51 T 8.82 4.71 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 1.25 0.00 0.00 52 N 8.73 4.43 0.00 2.91 2.97 0.00 0.00 6.95 7.85 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 53 L 8.07 4.46 0.00 1.56 1.60 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 T 9.03 4.80 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 1.26 0.00 0.00 55 S 8.84 5.29 0.00 3.82 3.80 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 56 Q 9.29 4.68 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 57 I 10.05 4.36 1.83 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 1.13 0.94 0.94 0.00 0.00 58 G 8.36 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 59 R 8.01 4.52 0.00 1.77 1.95 0.00 3.18 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 60 E 8.39 4.15 0.00 1.94 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 2.25 2.30 0.00 61 E 9.37 4.01 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 62 P 0.00 4.17 0.00 2.03 2.13 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 63 N 8.06 4.80 0.00 2.82 2.90 0.00 0.00 5.83 7.13 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 64 K 8.04 4.74 0.00 1.69 1.81 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.34 7.81 65 V 8.43 4.88 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 0.98 0.00 0.00 0.92 0.00 0.00 66 T 8.90 5.22 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 1.18 0.00 0.00 67 L 8.81 5.36 0.00 1.43 1.39 0.64 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.92 5.04 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 1.19 0.00 0.00 69 G 8.63 4.48 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 0.00 70 D 8.92 5.48 0.00 2.64 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 71 A 8.45 5.29 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 72 N 9.07 5.30 0.00 2.65 2.72 0.00 0.00 6.82 6.43 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 73 L 9.11 5.33 0.00 1.58 1.53 1.00 0.78 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 74 D 8.60 5.08 0.00 2.60 2.58 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 *76 N 8.40 4.97 0.00 2.83 2.76 0.00 0.00 6.22 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 77 S 9.02 4.74 0.00 3.76 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 78 L 8.28 3.88 0.00 1.43 1.63 -0.26 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.41 4.84 0.00 3.09 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 80 G 6.63 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 81 S 7.88 4.91 0.00 3.94 3.80 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 82 Q 8.12 4.54 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 83 K 8.53 4.60 0.00 1.69 1.73 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.46 7.81 84 A 9.21 5.01 1.19 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 0.00 0.00 85 T 8.56 5.04 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 1.26 0.00 0.00 *87 K 8.35 4.38 0.00 1.93 1.76 0.00 1.54 0.00 0.00 1.97 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.54 7.81 88 L 8.77 5.24 0.00 1.56 1.46 0.87 0.23 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 89 K 9.26 5.02 0.00 1.72 1.76 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.47 7.81 90 L 9.06 5.42 0.00 1.46 1.40 0.75 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.80 5.13 0.00 1.67 1.69 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.36 7.81 92 A 8.79 4.70 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.95 4.86 0.00 1.72 1.56 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 9.18 4.92 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.10 1.03 0.00 0.00 104 F 9.34 5.02 0.00 3.02 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 0.00 105 L 8.80 4.63 0.00 1.54 1.61 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 K 9.03 5.07 0.00 1.87 1.75 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.60 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.49 1.38 7.81 107 E 8.91 3.80 0.00 2.13 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 2.23 2.30 0.00 *109 E 8.14 4.32 0.00 2.07 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 2.25 2.31 0.00 110 V 8.72 4.05 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 0.74 0.00 0.00 0.96 0.00 0.00 111 V 9.27 3.98 2.19 0.00 0.00 0.00 0.00 0.00 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0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.42 7.81 *121 Q 8.14 4.31 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 122 T 7.77 4.02 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 1.23 0.00 0.00 123 V 7.27 3.41 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 0.92 0.00 0.00 0.94 0.00 0.00 *125 Q 8.19 4.27 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 126 T 7.88 3.99 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 127 L 8.02 4.56 0.00 1.76 1.76 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.60 3.98 0.00 1.95 1.72 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.30 0.00 1.95 1.97 0.00 3.88 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 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0.00 3.24 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 0.00 139 F 8.50 4.46 0.00 3.21 3.31 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 0.00 140 N 8.73 4.58 0.00 2.82 2.81 0.00 0.00 6.67 7.56 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 0.00 141 Q 7.51 4.37 0.00 1.74 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 142 Q 7.70 4.32 0.00 1.33 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.91 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 143 P 0.00 3.70 0.00 1.69 0.62 0.00 3.65 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 1.65 1.65 0.00 144 A 8.51 4.45 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 0.00 145 Y 7.61 4.56 0.00 3.13 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 0.00 146 V 7.57 4.57 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 0.80 0.00 0.00 0.72 0.00 0.00 147 L 8.84 4.48 0.00 1.67 1.67 1.21 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 148 R 9.62 4.54 0.00 1.73 1.94 0.00 3.08 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 149 E 8.56 4.35 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 150 D 8.02 5.03 0.00 2.72 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 7.63 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 S 8.51 4.33 0.00 4.15 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.65 4.07 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 154 G 8.09 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 0.00 155 E 7.87 3.06 0.00 1.61 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.15 0.00 156 A 7.65 3.68 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 *158 A 7.91 4.32 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.00 3.98 0.00 1.76 2.04 0.00 1.98 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.43 7.81 160 K 7.82 4.10 0.00 1.73 1.69 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.37 7.81 161 L 7.53 4.41 0.00 1.39 1.63 0.46 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.05 4.02 1.19 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 0.00 0.00 163 K 8.54 4.33 0.00 1.78 1.80 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.65 7.81 164 G 7.75 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 I 7.96 4.75 1.82 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.73 0.00 0.00 166 E 9.29 4.58 0.00 1.92 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 167 V 8.51 4.32 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 0.82 0.00 0.00 0.93 0.00 0.00 168 K 8.53 4.62 0.00 1.78 1.61 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.31 7.81 169 P 0.00 4.55 0.00 2.00 2.00 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 170 G 10.53 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 0.00 171 E 7.59 4.75 0.00 2.02 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 2.21 2.13 0.00 172 I 8.60 4.57 1.77 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 1.07 0.73 0.87 0.00 0.00 173 V 8.71 4.49 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.82 0.00 0.00 174 I 8.50 4.56 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.59 0.85 0.00 0.00 175 P 0.00 4.52 0.00 2.06 1.90 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 176 F 8.75 4.90 0.00 2.99 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 0.00 177 T 7.80 4.19 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.