NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3328 8.4293 120.2267 55.5029 30.9548 174.9274 8 P 4.3338 0.0000 0.0000 60.9043 32.3605 174.3484 9 K 3.9556 8.6954 122.1324 56.4239 33.4233 178.4992 10 V 4.1978 8.0861 126.4572 61.1059 32.2664 175.6866 11 V 3.7689 8.1888 126.3001 65.4566 31.3743 177.6026 12 G 3.6772 8.0936 104.4325 47.2298 0.0000 175.0576 13 V 3.9336 7.5452 119.7012 65.2944 31.9547 177.5581 14 E 4.1529 8.1201 118.6661 59.5191 29.1089 179.3993 15 I 3.7435 7.5207 111.8263 63.9186 37.8417 178.1045 16 L 4.1276 7.8032 120.2624 57.6914 41.5780 178.9209 17 E 3.9905 8.2172 118.5253 59.4215 29.1531 179.4364 18 K 3.8855 7.9451 117.5280 59.6909 32.2045 178.9848 19 S 4.3396 7.6864 113.1130 59.3672 62.7725 175.3183 20 G 3.8667 7.9425 109.9003 45.2608 0.0000 173.1396 21 L 3.9731 7.5911 121.3227 54.3808 42.7787 176.6354 22 D 4.5662 8.5644 125.3619 53.7706 41.4049 176.6670 23 I 3.8441 8.1808 129.4821 63.8128 37.3611 178.1643 24 K 3.8762 8.0375 120.2150 59.4328 32.1769 178.6180 25 K 3.9408 8.0162 120.0223 59.2480 31.9980 178.5336 26 L 3.9162 8.0132 120.6480 58.2018 41.9980 179.0754 27 V 3.5414 8.0330 118.4947 66.0556 31.2881 177.3550 28 D 4.2775 8.1873 117.7150 57.3785 41.0380 178.5204 29 K 3.9583 8.0396 118.8723 59.2445 31.9951 179.3475 30 L 4.0217 8.2043 119.6681 57.7939 41.4848 179.7728 31 V 3.6084 8.0279 118.3549 65.9615 31.3898 178.3031 32 K 4.0668 7.8554 117.9873 59.3013 31.3814 179.2978 33 A 3.5790 7.8411 121.0592 55.3790 18.0093 179.9167 34 T 4.2429 8.4596 114.5217 66.5973 68.5013 176.9023 35 A 4.1510 8.5961 123.1536 55.2757 18.4230 179.5711 36 A 4.1914 7.9766 119.9739 54.7078 18.4953 179.5939 37 E 4.0862 8.1125 116.8505 59.5159 29.3108 179.2856 38 F 3.8345 8.2751 121.1114 61.3166 39.1645 177.4276 39 T 3.8725 8.1967 109.6018 64.9491 68.5601 176.5752 40 T 3.7657 7.9795 118.6467 66.6658 68.2395 175.5779 41 Y 4.2118 7.4998 119.7854 60.9255 38.7987 177.6129 42 Y 3.6655 7.2640 119.8924 60.8849 38.9877 177.3196 43 Y 4.1390 8.3574 117.9601 61.2804 37.9056 178.1604 44 Y 4.2065 8.8432 118.0724 60.8863 37.6302 178.4190 45 T 3.7701 7.2829 116.3619 66.7903 68.6370 176.1696 46 I 3.7125 7.2581 119.3836 64.2974 37.2756 177.9961 47 L 4.0947 7.6946 118.5907 57.5420 41.7506 180.9411 48 R 4.0517 8.1633 118.8412 56.5150 29.8623 177.2706 *50 H 4.4929 8.0571 112.0823 54.7705 30.7032 174.7301 51 L 4.3843 7.5916 121.5828 53.6763 39.7351 175.5450 52 T 4.5802 7.7677 113.0193 60.4561 73.2820 177.7503 53 G 3.8795 8.2186 114.0496 46.9835 0.0000 175.0269 *55 E 4.2938 9.3006 120.7034 56.1303 31.0979 177.5533 56 G 3.8303 7.7186 103.4876 45.6366 0.0000 175.0969 57 E 4.0163 7.8163 121.1728 59.5605 29.5252 179.0975 58 G 3.7016 7.9742 103.1289 47.2739 0.0000 175.0349 59 L 4.2236 7.8152 121.0346 57.2060 41.5317 179.2105 60 K 3.9173 7.7050 118.0830 59.6317 32.0674 179.0333 61 E 3.9758 8.1139 117.0012 59.2046 29.5361 179.1204 62 I 3.4732 7.6612 120.3904 64.1300 37.2902 177.9986 63 A 4.3727 8.2174 121.7619 54.9521 18.1307 179.3343 64 E 3.9618 8.5843 118.3034 59.6225 29.7977 178.6627 65 D 4.4441 8.2338 118.6700 57.4588 40.8229 178.8080 66 A 3.9575 8.2306 120.8367 55.0845 18.4534 179.3989 67 R 3.9697 8.4633 117.2830 59.9730 30.2547 178.7701 68 L 4.0651 8.2477 118.5726 57.8479 41.5885 179.4392 69 E 4.0010 8.4327 118.6513 59.4447 29.4997 179.1208 70 D 4.3780 8.5254 119.3420 57.0754 40.8052 178.7403 71 R 3.8505 7.9878 119.5561 59.3807 29.9377 178.6222 72 L 4.0910 7.8147 118.2561 57.8395 41.3148 179.1536 73 H 4.1887 7.8486 115.9031 58.5720 28.6525 177.1856 74 F 4.4811 8.0841 121.4016 61.5240 39.0785 176.6945 75 E 3.9100 8.3021 118.1466 59.1606 28.8891 178.8602 76 L 4.0187 7.9175 116.5939 56.8563 41.6150 178.2435 *78 T 4.0924 7.6928 114.9936 63.9965 70.5848 175.5970 79 Q 3.9821 7.6282 120.8730 59.5490 28.8758 178.8422 80 R 3.9314 7.5747 119.1431 59.3323 30.1198 178.2844 81 I 3.6525 7.8265 119.2448 64.8545 37.1040 177.7939 82 Y 4.3386 7.8250 118.6602 60.2848 37.5117 177.8586 83 E 4.0738 8.1019 118.9022 59.2063 29.6556 178.5103 84 L 4.3816 7.7907 116.1800 54.6987 41.9349 177.7364 85 G 3.8399 8.0525 107.7250 45.3826 0.0000 173.9444 86 G 3.8404 7.8023 109.9715 44.2978 0.0000 172.8052 87 G 3.2997 7.5388 106.6607 43.8795 0.0000 172.5622 88 L 4.2927 7.9926 119.5929 53.1161 42.3458 175.8570 89 P 4.3486 0.0000 0.0000 62.6805 31.8998 176.8917 90 R 3.9808 8.7093 122.2016 58.7661 30.3142 176.7354 91 D 4.9083 7.9520 115.9004 52.5192 44.3098 176.9904 92 I 3.6568 8.1470 124.9058 64.0407 38.0894 178.5432 93 R 3.9628 8.9728 119.6537 59.0847 29.8442 178.7639 94 Q 3.9816 8.0744 117.4813 58.8542 28.5161 178.4237 95 L 3.8975 7.3854 119.6754 58.2559 42.2691 178.5320 96 A 4.2133 7.8729 120.1679 55.5444 18.1235 179.4376 97 D 4.3712 8.0543 116.3249 56.6789 40.9653 177.9850 98 I 4.1789 7.4675 110.9991 59.6330 38.4569 175.8846 99 S 4.1877 7.2572 115.7243 58.8693 62.5857 174.2956 100 A 4.0578 8.6536 130.4506 54.4260 18.3689 177.3344 101 C 4.8679 7.3749 111.5587 57.4653 30.9750 173.9475 102 S 4.1765 8.2953 116.3950 57.9483 62.6390 173.7915 103 D 3.8308 8.1928 126.0329 54.3817 41.1629 177.6934 104 A 4.1149 7.2696 129.5717 51.0180 17.1258 176.4974 105 Y 4.3080 6.7516 119.3352 56.5887 39.2154 176.4742 106 L 3.9925 8.4330 124.8288 54.4115 42.5550 175.3505 107 P 4.6193 0.0000 0.0000 62.1577 32.4237 176.1262 108 E 4.0638 8.7853 119.3283 59.0176 30.3831 177.1615 109 N 4.6463 7.7788 118.5088 52.1703 37.9352 175.7204 110 W 4.3541 7.6655 116.0621 59.0932 29.0519 178.2680 111 K 3.5511 6.9264 117.6767 58.3968 31.8159 176.2057 112 D 4.5282 7.7558 119.4768 52.4560 40.9398 175.0866 113 P 4.4143 0.0000 0.0000 65.5359 31.2862 178.4379 114 K 3.9292 8.1806 118.5396 59.2990 31.7069 178.9539 115 E 3.9651 8.1228 118.9332 59.4263 29.3853 179.4552 116 I 3.6938 7.6781 119.2889 64.3933 37.2290 178.3010 117 L 3.7558 8.0167 119.8527 57.5831 41.3849 179.7408 118 K 3.9530 8.1097 118.4959 59.3283 31.9882 179.5523 119 V 3.5150 7.4145 118.4627 65.9324 31.5153 177.8971 120 L 3.5444 7.5422 118.6638 57.5772 41.2367 179.3154 121 L 4.1300 7.9924 120.3805 58.4034 42.0653 178.9045 122 E 3.9827 8.3587 118.2492 59.2055 29.3650 179.2024 123 A 4.0373 8.1787 120.8330 55.3980 18.5607 179.6017 124 E 4.1447 8.4838 117.0894 59.7146 29.6467 179.6694 125 Q 4.0736 8.4818 118.3536 58.9387 28.7367 178.2858 126 C 4.0823 8.2034 119.5872 62.4457 31.5568 175.3918 127 A 3.9855 8.1347 122.3158 55.2116 17.9432 179.6040 128 I 3.7301 7.9209 118.1275 64.8177 37.3821 178.8389 129 R 3.9534 7.8469 118.2484 59.4931 29.7052 179.3966 130 T 3.6820 7.8622 115.4068 66.5776 68.5076 176.9925 131 W 4.3794 8.3058 121.0018 59.3174 29.0542 178.6659 132 K 4.0171 8.3750 120.0879 59.3242 31.3659 178.4354 133 E 3.9410 7.9121 118.6295 59.1998 29.6318 178.6562 134 V 3.7999 7.3820 117.2756 66.2887 31.9142 177.2646 135 C 4.5204 8.3358 116.4419 63.0865 27.7247 176.5089 136 D 4.7557 7.8811 116.3802 55.2430 40.0616 177.5456 *138 T 4.3233 7.9200 111.6356 61.3007 70.7180 172.8610 139 Y 3.8202 8.1228 123.5156 59.3057 38.7515 176.1780 140 G 3.5094 8.6844 114.3049 45.7096 0.0000 173.3726 141 K 4.4185 7.7643 116.4730 57.0436 36.6562 176.1169 142 D 4.7586 8.2727 119.1443 50.3943 41.4131 173.4799 143 P 4.3080 0.0000 0.0000 65.1334 31.6693 177.7020 144 R 3.8810 7.9292 116.6684 59.9319 30.1233 178.5924 145 T 3.9176 8.0601 115.0653 66.5759 68.4351 176.0739 146 Y 4.0694 8.3289 123.1223 60.1561 38.8705 177.6830 147 D 4.2674 8.4003 118.9399 57.4080 41.3312 178.2887 148 L 3.8404 7.8087 119.0164 57.6970 41.5286 179.4008 149 A 3.5977 8.0412 120.9329 54.8792 18.2528 179.4640 150 Q 3.5952 8.0807 118.4472 59.1233 28.9060 178.6074 151 R 3.7679 7.7526 118.9848 59.2912 30.1549 179.0589 152 I 3.1002 7.1620 119.2509 64.0220 36.8778 177.9335 153 L 3.8630 7.5893 121.3751 58.4002 41.6995 178.6010 154 Q 3.8537 7.9524 119.1398 59.6020 28.8151 178.6145 155 E 4.0045 7.7876 119.0938 59.1411 29.3640 179.1592 156 E 3.8045 7.9830 118.8745 59.1582 29.4762 179.2997 157 I 3.6224 7.8560 120.1440 64.3838 37.1473 178.3052 158 E 3.6697 7.6364 119.0206 59.4770 29.3003 179.1015 159 H 2.9021 7.5706 116.3398 58.4285 28.6695 177.3404 160 E 4.0781 8.2488 120.9564 59.4489 29.5717 178.7650 161 A 4.0284 7.8953 120.6368 54.7738 18.2323 179.7021 162 W 4.2678 7.8352 117.5919 60.1981 29.0882 178.8061 163 F 4.6540 7.8181 117.1281 60.3694 38.3980 177.8844 164 L 4.3345 8.5532 119.2861 57.9924 41.2222 179.1910 165 E 4.6230 8.0212 119.1916 58.5125 29.5879 178.6993 166 L 4.2187 7.5433 118.5950 57.5927 42.0075 178.9635 167 L 3.9506 8.1806 117.6832 57.1781 41.8703 177.0063 168 Y 4.6514 7.6971 113.7589 56.3723 40.2297 175.3376 169 G 4.0311 8.5295 107.1229 45.9814 0.0000 173.7097 170 R 4.2266 8.0707 121.6463 54.0219 30.3058 174.0792 171 P 4.6742 0.0000 0.0000 63.4427 31.3417 174.2757 172 S 4.8699 7.8058 112.7385 58.5575 70.0800 177.2722 173 G 4.1687 7.7393 114.8381 44.0689 0.0000 171.8184 174 H 4.2593 8.8966 125.3874 56.2046 29.9412 172.5268 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 E 8.43 4.33 0.00 1.98 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 2.22 2.31 0.00 8 P 0.00 4.33 0.00 2.26 2.04 0.00 3.77 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 1.98 2.02 0.00 9 K 8.70 3.96 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.59 7.81 10 V 8.09 4.20 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 1.02 0.00 0.00 0.94 0.00 0.00 11 V 8.19 3.77 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 0.99 0.00 0.00 0.93 0.00 0.00 12 G 8.09 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 0.00 0.00 0.00 13 V 7.55 3.93 2.23 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 1.07 0.00 0.00 0.93 0.00 0.00 14 E 8.12 4.15 0.00 2.22 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 0.00 2.33 2.51 0.00 15 I 7.52 3.74 1.86 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 1.73 0.52 0.96 0.00 0.00 16 L 7.80 4.13 0.00 1.99 1.75 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.22 3.99 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 18 K 7.95 3.89 0.00 1.90 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 19 S 7.69 4.34 0.00 3.94 3.88 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 20 G 7.94 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 21 L 7.59 3.97 0.00 1.60 1.74 0.94 1.24 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 22 D 8.56 4.57 0.00 2.75 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 23 I 8.18 3.84 1.87 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 0.73 0.91 0.00 0.00 24 K 8.04 3.88 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 25 K 8.02 3.94 0.00 1.81 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 26 L 8.01 3.92 0.00 1.89 1.80 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.03 3.54 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 0.95 0.00 0.00 0.96 0.00 0.00 28 D 8.19 4.28 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 29 K 8.04 3.96 0.00 1.97 1.77 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.60 7.81 30 L 8.20 4.02 0.00 1.99 1.76 1.06 1.08 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 31 V 8.03 3.61 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 1.09 0.00 0.00 0.98 0.00 0.00 32 K 7.86 4.07 0.00 1.70 1.82 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.55 7.81 33 A 7.84 3.58 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.46 4.24 4.41 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 1.38 0.00 0.00 35 A 8.60 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.98 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.09 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.92 0.00 38 F 8.28 3.83 0.00 2.60 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 39 T 8.20 3.87 4.54 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 1.41 0.00 0.00 40 T 7.98 3.77 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 0.19 0.00 0.00 41 Y 7.50 4.21 0.00 2.70 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 42 Y 7.26 3.67 0.00 2.62 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 43 Y 8.36 4.14 0.00 3.18 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 44 Y 8.84 4.21 0.00 3.04 3.03 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 45 T 7.28 3.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 46 I 7.26 3.71 1.88 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 1.41 0.01 0.78 0.00 0.00 47 L 7.69 4.09 0.00 1.47 1.57 0.72 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.16 4.05 0.00 1.98 2.02 0.00 3.14 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 *50 H 8.06 4.49 0.00 2.97 3.04 0.00 5.75 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.59 4.38 0.00 1.79 1.84 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.77 4.58 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 53 G 8.22 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 E 9.30 4.29 0.00 2.00 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 2.20 2.31 0.00 56 G 7.72 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 0.00 0.00 0.00 57 E 7.82 4.02 0.00 2.31 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 2.31 2.38 0.00 58 G 7.97 3.70 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 0.00 0.00 0.00 59 L 7.82 4.22 0.00 1.82 1.77 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 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0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *78 T 7.69 4.09 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 1.18 0.00 0.00 79 Q 7.63 3.98 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 80 R 7.57 3.93 0.00 1.80 1.92 0.00 3.23 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 81 I 7.83 3.65 1.97 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 1.61 0.63 0.59 0.00 0.00 82 Y 7.83 4.34 0.00 3.14 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 83 E 8.10 4.07 0.00 2.17 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 2.37 2.57 0.00 84 L 7.79 4.38 0.00 1.76 1.69 0.93 1.00 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 85 G 8.05 3.84 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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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 0.00 136 D 7.88 4.76 0.00 2.89 2.74 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 *138 T 7.92 4.32 4.58 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 1.31 0.00 0.00 139 Y 8.12 3.82 0.00 2.97 3.17 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 0.00 140 G 8.68 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 0.00 0.00 0.00 141 K 7.76 4.42 0.00 1.67 1.76 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.48 7.81 142 D 8.27 4.76 0.00 2.63 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 0.00 143 P 0.00 4.31 0.00 2.21 2.12 0.00 3.66 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 2.11 2.13 0.00 144 R 7.93 3.88 0.00 1.93 1.94 0.00 3.23 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 145 T 8.06 3.92 4.37 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 1.29 0.00 0.00 146 Y 8.33 4.07 0.00 3.20 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 0.00 147 D 8.40 4.27 0.00 3.00 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 0.00 148 L 7.81 3.84 0.00 1.67 1.55 0.89 0.78 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 0.00 149 A 8.04 3.60 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 0.00 150 Q 8.08 3.60 0.00 1.27 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 151 R 7.75 3.77 0.00 1.97 1.81 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 152 I 7.16 3.10 0.85 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.51 -0.42 0.00 0.00 153 L 7.59 3.86 0.00 1.85 1.73 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 7.95 3.85 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 155 E 7.79 4.00 0.00 2.00 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 2.42 2.26 0.00 156 E 7.98 3.80 0.00 2.09 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 2.41 2.72 0.00 157 I 7.86 3.62 1.96 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 1.49 0.75 0.86 0.00 0.00 158 E 7.64 3.67 0.00 1.69 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 2.27 2.37 0.00 159 H 7.57 2.90 0.00 3.23 3.24 0.00 5.65 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 0.00 160 E 8.25 4.08 0.00 2.16 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 2.41 2.43 0.00 161 A 7.90 4.03 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 0.00 162 W 7.84 4.27 0.00 2.87 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 0.00 163 F 7.82 4.65 0.00 3.22 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.55 4.33 0.00 1.98 1.86 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.02 4.62 0.00 2.26 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 0.00 2.37 2.36 0.00 166 L 7.54 4.22 0.00 1.90 1.77 1.10 0.99 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 0.00 167 L 8.18 3.95 0.00 1.68 0.78 0.88 0.52 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 0.00 168 Y 7.70 4.65 0.00 3.12 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 0.00 169 G 8.53 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 0.00 170 R 8.07 4.23 0.00 1.92 1.92 0.00 3.17 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 171 P 0.00 4.67 0.00 2.24 2.08 0.00 3.87 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 172 S 7.81 4.87 0.00 4.08 3.85 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 0.00 173 G 7.74 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 0.00 174 H 8.90 4.26 0.00 3.09 3.07 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.