NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3105 8.2649 123.5753 51.9783 19.8884 176.7014 6 H 4.2554 8.6347 120.7453 52.8326 29.4910 172.9895 7 P 4.4547 0.0000 0.0000 63.0057 32.5975 176.0739 8 I 4.2502 8.2354 113.0147 61.6204 38.4948 174.8853 9 S 4.7278 7.5038 113.8749 57.4248 65.1565 173.3008 10 R 4.1523 8.6738 122.9935 57.4154 30.1711 175.8120 11 Y 4.4366 7.9298 114.9295 55.0334 40.0349 173.5586 12 P 4.1516 0.0000 0.0000 63.2844 31.7150 176.3550 13 V 4.2132 8.2159 122.9450 60.2573 31.8277 173.6299 14 P 4.5396 0.0000 0.0000 62.3918 32.1844 175.6968 15 E 4.2880 8.4213 118.6720 55.5340 30.4375 177.6549 16 L 3.9079 8.7598 124.1124 58.5828 41.7490 179.3444 17 A 4.0038 7.9573 118.7808 54.5026 18.4804 178.5562 18 A 4.1889 8.0504 118.1251 52.7049 19.1753 177.7698 19 L 4.2440 6.7747 117.2827 53.2065 42.8771 175.7806 20 P 4.4534 0.0000 0.0000 62.2860 33.2830 177.5751 21 D 4.3581 8.5696 120.0318 57.7302 40.8489 178.8462 22 D 4.4084 8.0986 119.0257 56.7031 39.2911 178.6051 23 I 3.7597 7.6463 120.6810 63.9732 37.1313 178.1706 24 R 3.8473 7.9736 119.5909 59.5092 29.8378 178.6091 25 Q 3.9627 8.7015 118.1786 58.9364 28.8314 178.7356 26 R 3.8770 8.0268 119.7270 59.3797 30.1689 178.6264 27 I 3.3407 7.8045 119.5596 64.3235 37.0522 178.4916 28 L 3.9268 7.9675 119.7854 57.8079 41.3296 179.3352 29 E 3.8786 8.4659 118.9420 59.3913 29.2749 179.5861 30 V 3.4804 7.4603 117.9244 65.4466 31.3961 177.9467 31 Q 4.1792 7.6338 120.8197 58.4286 28.6524 177.4566 32 D 4.3367 7.9253 118.1686 57.2954 41.3477 178.0287 33 K 4.0382 7.4624 118.2706 59.6572 32.4101 178.3823 34 A 4.1417 8.0249 120.1164 53.2957 18.4924 178.5273 35 G 4.0523 10.0866 105.0919 45.2299 0.0000 172.6492 36 F 4.6552 7.2855 112.8782 56.1361 40.2850 173.0081 37 V 4.0778 8.2526 121.0608 60.2901 31.8635 173.6137 38 P 5.0050 0.0000 0.0000 63.3044 32.0006 177.4802 39 N 4.7350 10.4655 120.1230 55.9049 38.4337 178.1266 40 V 3.3989 8.1477 120.8480 64.5628 30.9176 178.3091 41 F 4.3200 8.3276 118.0717 60.5185 38.6341 177.6760 42 L 4.1774 8.1755 116.9004 58.0867 41.7768 179.2591 43 T 4.1117 8.1805 109.8174 64.7281 68.9467 176.3806 44 L 4.2197 8.0596 120.3297 56.0627 41.5912 178.4606 45 A 4.1548 7.7683 119.4867 54.0640 18.3636 178.3677 46 H 4.4065 7.8024 115.2188 57.5931 30.9295 175.0503 47 R 4.4913 7.8097 119.9584 52.5460 30.4613 173.8119 48 P 4.2550 0.0000 0.0000 65.9431 31.4245 177.6198 49 D 4.4506 8.1353 116.7112 57.1977 40.7123 178.5102 50 E 4.0979 8.1728 118.8682 58.9497 29.7125 178.4453 51 F 4.1537 8.4945 120.8568 61.6205 39.5387 177.3468 52 R 4.2159 8.6574 117.3341 59.5291 29.8641 179.0264 53 A 4.1020 8.0193 120.5989 54.8391 18.2878 179.3421 54 F 4.0187 8.9228 119.5847 61.7760 39.3798 177.5543 55 F 4.1890 8.1791 116.9313 60.0063 38.6610 177.6741 56 A 4.0135 8.0712 120.5918 55.3489 18.0714 179.0262 57 Y 3.7060 8.0541 118.0504 60.9025 38.6062 177.3826 58 H 3.1412 7.4798 118.0011 59.2196 29.6280 176.4855 59 D 4.5433 8.4274 120.3931 57.5022 40.5061 178.5209 60 A 4.1015 7.7360 119.7255 54.7532 18.2336 178.6096 61 L 4.3995 7.1013 115.0087 55.1648 42.0283 177.5464 *63 L 4.3741 7.8062 120.3574 54.1930 43.5991 177.5634 64 K 4.0058 7.1392 113.8862 56.8976 32.7985 176.1900 65 D 4.4970 8.5112 120.3661 54.3907 41.3895 175.9917 66 G 4.0755 8.0215 110.7060 44.8945 0.0000 173.5866 67 G 3.8611 8.6083 107.2664 46.9580 0.0000 174.1454 68 L 4.6540 7.7665 120.2373 54.0180 42.8535 177.3593 69 T 4.2555 8.9264 114.2689 61.1917 70.8860 175.9314 70 K 4.1218 8.6910 121.5711 59.6743 31.7992 179.8204 71 G 3.7950 8.0901 104.6244 48.0554 0.0000 175.1014 72 E 4.1648 8.0569 120.1483 59.0641 29.7960 179.4458 73 R 4.1215 8.0579 118.1243 59.0304 30.3212 179.4202 74 E 4.3834 7.8844 118.9308 56.2696 29.7120 179.4361 *76 I 3.9253 7.7279 120.1666 61.4480 39.4965 178.4141 77 V 3.2757 7.1817 118.7292 65.9416 30.9712 178.3071 78 V 3.4461 7.7118 117.6307 65.8833 31.2886 177.9947 79 A 3.9574 7.7537 120.3476 55.1231 18.3060 179.4919 80 T 3.8436 7.7649 108.3222 64.8749 69.0457 177.3940 81 S 4.6589 8.2523 118.9680 60.5710 62.6949 176.4948 82 A 3.9262 8.0319 123.4181 55.1780 17.9591 179.3745 83 A 3.9814 7.4311 117.9636 55.2294 18.4666 178.6510 84 N 4.5962 7.8857 111.6610 52.1451 39.2976 175.1722 85 Q 3.2160 8.0297 119.0143 56.7101 27.1317 175.6810 86 C 4.7684 8.1507 120.2107 57.0153 31.7722 171.9345 87 L 3.9121 8.4016 129.8348 58.5049 41.6757 177.6503 88 Y 3.8990 8.0634 118.5044 61.1620 38.8894 177.7251 89 C 4.3115 8.2711 116.9892 62.6411 28.2895 176.1801 90 V 3.4583 7.9712 120.0506 66.0347 30.6296 178.3350 91 V 3.2126 7.4462 117.4873 65.6489 30.9963 177.8129 92 A 2.5800 7.7881 120.6846 54.9491 18.0409 179.1278 93 H 4.2615 7.7826 113.2770 57.5592 28.9171 178.1820 94 G 3.4587 8.0096 108.2123 47.4476 0.0000 175.7034 95 A 3.9802 7.4727 122.1133 55.0505 18.4501 179.7606 96 I 3.4023 7.1597 116.9719 64.1934 37.1067 178.1405 97 L 3.8325 7.8375 121.2768 58.5409 41.7489 179.2337 98 R 4.2103 7.8421 118.9138 58.6943 29.7212 179.2271 99 I 3.7736 7.4816 118.5600 64.7971 37.3512 177.6752 100 Y 4.4814 8.3181 116.6182 60.5989 37.8216 177.7912 101 E 4.5085 8.3465 116.1089 54.7220 30.8606 175.7335 102 K 3.8782 7.8616 117.4724 57.6550 30.2894 176.5201 103 K 4.4901 7.6184 117.4293 53.8321 33.6847 175.6364 104 P 4.4061 0.0000 0.0000 64.9851 31.6135 178.2126 105 L 4.3192 7.8599 117.6827 56.5840 42.4935 179.2155 106 V 3.8406 7.8966 118.7512 64.7979 31.2199 178.1799 107 A 3.9761 7.9362 120.9251 54.7779 18.3014 179.1227 108 D 4.2677 8.0289 116.9461 57.6569 40.9235 178.8062 109 Q 4.0017 7.7473 118.3260 59.1681 28.5543 179.2513 110 V 3.6503 7.7862 117.5148 65.8521 31.5391 177.5611 111 A 4.1511 7.7896 119.9768 54.6295 18.3992 179.4322 112 V 4.0090 7.6888 115.8317 64.6177 32.6913 176.2347 113 N 4.6043 8.2099 117.5580 52.8688 40.2727 173.9687 114 Y 4.2837 8.4695 124.0978 59.0521 38.5205 178.9958 115 L 3.4992 7.4321 119.8641 56.8114 41.7226 177.8045 116 K 4.3991 7.7183 115.1191 55.7512 32.4475 176.2334 117 A 4.2436 7.4351 122.4350 52.1467 18.9841 179.0702 118 D 4.7557 8.4785 122.3615 53.3271 38.9373 175.8814 119 I 4.7540 7.2061 113.6337 57.3986 41.4866 174.9947 120 P 4.5546 0.0000 0.0000 61.4329 33.3200 175.6994 121 P 4.1998 0.0000 0.0000 66.1990 31.0197 178.8212 122 R 3.7940 7.8768 115.8046 59.5466 30.1302 178.1633 123 Q 4.2639 8.0023 116.4400 58.6954 29.1163 177.9248 124 R 4.2372 8.2738 119.6650 59.2457 30.3399 180.2465 125 A 4.4243 8.1819 121.4196 51.8714 18.2664 179.4458 *127 L 4.0151 7.9470 122.7223 56.4451 44.0982 179.0684 128 D 4.5169 8.5729 118.8713 57.6962 40.6736 179.1339 129 F 4.0579 8.1544 120.2287 61.1563 39.3890 176.8521 130 A 3.7798 7.8801 119.8786 55.2945 18.1179 179.4737 131 L 3.8346 8.4743 117.9490 57.5678 41.5134 179.7691 132 K 3.7888 7.8385 119.6912 59.4845 31.9476 179.1503 133 V 3.2790 7.3304 117.6044 65.8585 31.3249 177.3014 134 C 4.1057 7.6929 117.9741 61.9627 31.6473 175.0568 135 K 4.3034 8.0604 118.1420 56.8134 33.3848 177.4117 136 A 4.6674 8.1139 123.1174 50.6189 20.0055 178.0179 137 S 4.0796 7.9772 118.5943 61.3317 63.7532 176.6592 138 H 4.1161 8.2556 115.8110 58.0634 28.1954 175.6533 139 E 4.3169 7.6497 117.7928 55.7882 29.4176 176.1154 140 V 3.8916 7.6524 121.0175 62.8073 31.9544 174.8219 141 N 5.2767 9.6145 123.9901 50.2380 40.7492 174.9654 142 E 4.2893 8.8726 116.3155 59.4969 29.2857 179.3497 143 A 4.2307 8.1065 120.9840 55.0612 17.8347 179.4439 144 D 4.3138 8.3731 117.8167 57.6251 40.9074 178.9494 145 F 3.9585 8.1604 117.8294 60.2713 38.9901 177.3821 146 E 4.0211 8.6300 118.2972 59.4865 29.0717 179.2158 147 A 4.0382 7.9615 119.4808 55.2534 18.7272 179.3979 148 L 4.2462 7.6013 116.6427 58.1394 41.6114 180.0116 149 R 4.4684 8.1210 119.3135 58.7547 29.7307 178.7188 150 E 3.9727 8.2609 117.8620 59.1067 29.4096 177.6174 151 H 4.6157 7.9933 113.7132 55.4532 28.8367 175.9093 152 G 3.8502 8.3898 108.1285 45.1860 0.0000 174.3765 153 F 4.6188 7.7543 118.5161 57.3046 40.1300 174.8963 154 T 4.7588 8.4716 113.9084 60.4580 72.0514 175.7404 155 D 4.5710 8.5061 120.4856 57.3596 40.7454 178.8636 156 E 4.1125 8.2258 119.0296 59.3393 29.3495 178.7561 157 D 4.4665 8.1705 118.6032 57.0286 40.7521 178.5394 158 A 3.7825 7.8927 121.0205 54.9006 18.3983 179.1006 159 W 4.3097 8.5032 126.8184 61.1005 30.6905 177.7546 160 D 4.5663 8.3620 118.4457 57.6384 40.4292 178.9615 161 I 3.7189 8.1430 120.1228 64.2258 37.0295 178.3866 162 A 3.8687 8.5907 121.7001 55.1928 18.2295 179.5388 163 A 3.9301 8.7731 119.8099 55.4256 18.4648 179.9522 164 I 3.8495 7.9376 118.3630 64.8125 36.9204 178.8851 165 T 3.8838 7.6843 115.2816 66.3512 68.6898 176.3524 166 A 4.0227 8.2207 123.0581 55.3417 18.4922 179.5729 167 F 3.6736 8.2264 119.0173 61.0541 39.3947 176.7719 168 F 4.0335 8.4362 115.8654 58.5221 38.7582 177.7156 169 G 3.4834 7.7085 106.4151 47.3107 0.0000 175.7291 170 L 3.7327 7.2871 121.3068 57.9290 42.1653 178.6306 171 S 4.1373 7.1956 111.6493 61.2895 62.6540 175.4316 172 N 4.5337 8.1025 119.2898 56.3076 38.1562 178.1492 173 R 4.0334 7.6698 115.5546 56.8388 29.7695 178.3777 *175 A 4.1088 7.9064 123.4752 52.3699 20.5266 179.7036 176 N 4.3685 8.4623 113.5577 56.7891 38.8261 177.8293 177 T 3.8575 8.1661 114.5172 66.0529 68.7349 175.0939 178 I 4.2972 7.5652 112.1830 59.4728 38.1520 172.0445 179 G 3.9992 7.5001 117.2547 44.8896 0.0000 173.5165 *181 R 4.2239 8.3199 121.3182 55.0114 31.0228 173.2924 182 P 4.5748 0.0000 0.0000 62.2625 32.1962 175.9842 183 N 4.5807 9.2740 119.5338 53.5374 39.4035 175.6135 184 D 4.4822 8.8379 121.2430 57.7063 41.6683 178.6234 185 E 3.7142 7.9833 118.1997 59.7302 28.9475 179.4713 186 F 4.5548 7.4938 116.3512 60.5179 38.9706 177.4793 187 F 4.3850 8.4845 116.8815 58.6340 39.8220 175.3518 188 L 4.4473 7.5454 120.5962 52.9851 40.8514 176.5592 *190 G 4.0438 8.0425 108.1694 44.4616 0.0000 171.3371 191 R 4.0980 7.8464 118.6237 57.0575 30.5793 176.5163 192 V 4.2099 7.5003 116.9367 60.0879 32.5017 173.2829 193 P 4.4015 0.0000 0.0000 63.1675 32.2100 177.4776 194 K 4.2481 8.5147 119.5030 55.4842 31.5679 172.1598 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 5 A 8.26 4.31 1.28 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 0.00 0.00 0.00 6 H 8.63 4.26 0.00 3.28 3.27 0.00 5.71 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 7 P 0.00 4.45 0.00 2.36 2.08 0.00 3.83 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 2.03 1.98 0.00 8 I 8.24 4.25 2.00 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 1.38 0.73 1.07 0.00 0.00 9 S 7.50 4.73 0.00 3.85 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 10 R 8.67 4.15 0.00 1.95 2.02 0.00 3.28 0.00 0.00 3.17 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 11 Y 7.93 4.44 0.00 2.83 2.63 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 0.00 0.00 0.00 12 P 0.00 4.15 0.00 2.21 2.09 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 13 V 8.22 4.21 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 0.91 0.00 0.00 1.05 0.00 0.00 14 P 0.00 4.54 0.00 2.21 2.06 0.00 4.07 0.00 0.00 3.86 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 15 E 8.42 4.29 0.00 2.02 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 2.40 2.24 0.00 16 L 8.76 3.91 0.00 1.75 1.68 0.89 0.94 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 17 A 7.96 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 18 A 8.05 4.19 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 19 L 6.77 4.24 0.00 1.66 1.48 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.45 0.00 2.28 1.95 0.00 3.50 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 2.07 2.14 0.00 21 D 8.57 4.36 0.00 2.68 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 22 D 8.10 4.41 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 23 I 7.65 3.76 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.06 0.00 0.00 24 R 7.97 3.85 0.00 2.01 2.04 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 25 Q 8.70 3.96 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 26 R 8.03 3.88 0.00 2.00 2.23 0.00 3.05 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 27 I 7.80 3.34 1.96 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 1.65 1.04 0.85 0.00 0.00 28 L 7.97 3.93 0.00 1.64 1.67 0.90 0.78 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 29 E 8.47 3.88 0.00 2.11 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 2.39 0.00 30 V 7.46 3.48 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 0.62 0.00 0.00 0.48 0.00 0.00 31 Q 7.63 4.18 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 32 D 7.93 4.34 0.00 2.74 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 33 K 7.46 4.04 0.00 1.73 1.78 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.48 7.81 34 A 8.02 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 10.09 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 0.00 0.00 0.00 0.00 36 F 7.29 4.66 0.00 3.14 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 37 V 8.25 4.08 2.17 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 0.85 0.00 0.00 0.89 0.00 0.00 38 P 0.00 5.00 0.00 2.86 2.70 0.00 3.62 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 2.47 2.09 0.00 39 N 10.47 4.73 0.00 3.24 3.08 0.00 0.00 6.63 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 40 V 8.15 3.40 1.74 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 0.72 0.00 0.00 0.45 0.00 0.00 41 F 8.33 4.32 0.00 3.36 3.29 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 42 L 8.18 4.18 0.00 1.76 1.84 1.12 0.95 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 43 T 8.18 4.11 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 1.34 0.00 0.00 44 L 8.06 4.22 0.00 1.92 1.70 -0.55 0.63 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 45 A 7.77 4.15 1.27 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 0.00 0.00 0.00 46 H 7.80 4.41 0.00 3.34 3.43 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 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0.00 0.00 55 F 8.18 4.19 0.00 3.09 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 56 A 8.07 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.05 3.71 0.00 3.07 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 0.00 0.00 0.00 58 H 7.48 3.14 0.00 2.76 3.41 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.43 4.54 0.00 2.95 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 60 A 7.74 4.10 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 61 L 7.10 4.40 0.00 1.51 1.71 0.76 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *63 L 7.81 4.37 0.00 1.82 1.81 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.14 4.01 0.00 1.91 2.02 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.45 7.81 65 D 8.51 4.50 0.00 2.94 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 4.08 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 0.00 0.00 0.00 67 G 8.61 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 0.00 0.00 0.00 68 L 7.77 4.65 0.00 1.71 1.68 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.93 4.26 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 70 K 8.69 4.12 0.00 1.74 1.93 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.09 7.81 71 G 8.09 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 0.00 0.00 0.00 72 E 8.06 4.16 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 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 0.99 0.00 0.00 91 V 7.45 3.21 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 -0.06 0.00 0.00 0.55 0.00 0.00 92 A 7.79 2.58 0.14 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 0.00 0.00 93 H 7.78 4.26 0.00 3.16 3.17 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.01 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.47 3.98 1.56 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 96 I 7.16 3.40 1.57 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 -0.03 0.00 0.00 97 L 7.84 3.83 0.00 1.77 1.87 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.84 4.21 0.00 2.13 2.15 0.00 3.35 0.00 0.00 3.39 7.14 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 124 R 8.27 4.24 0.00 1.95 2.12 0.00 3.10 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 125 A 8.18 4.42 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 L 7.95 4.02 0.00 1.71 1.03 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.57 4.52 0.00 2.93 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 0.00 129 F 8.15 4.06 0.00 2.93 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 0.00 130 A 7.88 3.78 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 0.00 131 L 8.47 3.83 0.00 1.56 1.69 0.84 0.47 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 0.00 132 K 7.84 3.79 0.00 1.83 1.65 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.33 7.81 133 V 7.33 3.28 1.85 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 0.63 0.00 0.00 0.07 0.00 0.00 134 C 7.69 4.11 0.00 3.05 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 0.00 135 K 8.06 4.30 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.56 7.81 136 A 8.11 4.67 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.98 4.08 0.00 3.90 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 H 8.26 4.12 0.00 3.27 3.44 0.00 5.51 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.65 4.32 0.00 1.96 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 2.15 1.73 0.00 140 V 7.65 3.89 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 0.84 0.00 0.00 0.72 0.00 0.00 141 N 9.61 5.28 0.00 2.94 2.92 0.00 0.00 6.57 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 0.00 142 E 8.87 4.29 0.00 2.07 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 0.00 2.46 2.35 0.00 143 A 8.11 4.23 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 0.00 144 D 8.37 4.31 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.16 3.96 0.00 3.19 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 0.00 146 E 8.63 4.02 0.00 2.26 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 2.38 2.53 0.00 147 A 7.96 4.04 1.41 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 0.00 0.00 148 L 7.60 4.25 0.00 1.81 1.75 -0.21 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.12 4.47 0.00 2.06 2.02 0.00 3.19 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 150 E 8.26 3.97 0.00 2.39 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 2.35 2.24 0.00 151 H 7.99 4.62 0.00 3.41 3.26 0.00 5.66 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 0.00 152 G 8.39 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 0.00 0.00 0.00 153 F 7.75 4.62 0.00 3.15 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 0.00 154 T 8.47 4.76 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 155 D 8.51 4.57 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.23 4.11 0.00 2.00 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 2.40 2.31 0.00 157 D 8.17 4.47 0.00 3.06 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 0.00 158 A 7.89 3.78 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 0.00 159 W 8.50 4.31 0.00 3.63 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 0.00 160 D 8.36 4.57 0.00 3.05 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 8.14 3.72 2.16 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.21 0.98 0.00 0.00 162 A 8.59 3.87 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 0.00 163 A 8.77 3.93 1.55 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 0.00 0.00 164 I 7.94 3.85 1.92 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 1.63 1.02 0.95 0.00 0.00 165 T 7.68 3.88 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 1.16 0.00 0.00 166 A 8.22 4.02 1.25 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 0.00 0.00 0.00 167 F 8.23 3.67 0.00 2.46 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 0.00 168 F 8.44 4.03 0.00 3.28 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 0.00 169 G 7.71 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 0.00 0.00 0.00 170 L 7.29 3.73 0.00 1.32 1.29 0.73 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 171 S 7.20 4.14 0.00 3.21 3.55 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 0.00 172 N 8.10 4.53 0.00 2.76 2.83 0.00 0.00 7.05 7.18 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 0.00 173 R 7.67 4.03 0.00 1.98 1.87 0.00 3.07 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 *175 A 7.91 4.11 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 0.00 176 N 8.46 4.37 0.00 2.77 2.88 0.00 0.00 7.10 6.59 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 0.00 177 T 8.17 3.86 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 1.23 0.00 0.00 178 I 7.57 4.30 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.75 0.00 0.00 179 G 7.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *181 R 8.32 4.22 0.00 1.93 2.06 0.00 3.45 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 182 P 0.00 4.57 0.00 2.16 1.73 0.00 4.05 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 2.27 2.00 0.00 183 N 9.27 4.58 0.00 2.67 2.80 0.00 0.00 7.14 8.08 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 0.00 184 D 8.84 4.48 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 E 7.98 3.71 0.00 1.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.01 0.00 186 F 7.49 4.55 0.00 2.98 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 0.00 187 F 8.48 4.38 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 7.55 4.45 0.00 1.83 1.56 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *190 G 8.04 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 0.00 0.00 0.00 191 R 7.85 4.10 0.00 1.87 2.02 0.00 3.39 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 192 V 7.50 4.21 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 0.85 0.00 0.00 0.95 0.00 0.00 193 P 0.00 4.40 0.00 2.10 2.03 0.00 3.89 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 2.04 2.09 0.00 194 K 8.51 4.25 0.00 1.94 1.65 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.