NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6673 8.3829 118.2173 51.9560 39.1004 176.4394 3 L 3.8035 8.1807 124.1392 60.5797 40.5016 179.3995 4 K 3.9877 8.8438 125.2253 60.2699 32.0347 180.5531 5 D 4.7381 8.3203 119.4193 56.2022 40.8209 178.9758 6 K 4.1076 7.9338 118.9442 58.9235 32.0110 179.2873 7 I 3.7021 7.9437 120.4125 64.5182 37.0468 178.3781 8 L 3.7273 7.7624 119.3228 57.6241 40.8053 179.9653 9 G 3.5309 7.9613 105.3629 47.8432 0.0000 176.0702 10 V 3.5422 7.9815 121.4002 65.1010 31.5656 177.5812 11 A 3.5140 8.5058 121.2878 55.1132 18.0626 179.0628 12 K 3.9009 7.7674 117.3323 60.1692 32.2397 178.6792 13 E 3.9442 7.8101 117.4343 59.4394 29.3039 179.4621 14 L 3.9991 8.0012 119.1447 57.7065 41.6083 179.5850 15 F 4.6184 8.2699 119.5920 60.1613 38.6069 177.8430 16 I 3.8925 8.0606 121.4599 64.7077 36.9816 179.0751 17 K 4.1559 8.5247 123.8823 59.5373 31.8219 180.2046 18 N 5.0071 8.7053 115.1876 51.3876 39.7842 176.1057 19 G 4.0271 8.1587 109.6534 44.6670 0.0000 174.2119 20 Y 3.9710 8.5472 118.4960 60.7388 38.9415 177.7358 21 N 4.3253 8.6048 115.3374 56.4461 38.7607 176.5068 22 A 4.0103 7.8811 118.3991 54.4657 18.4676 177.4320 23 T 4.0902 7.5054 113.2140 63.5611 68.1130 173.9471 24 T 4.3716 8.1016 118.2867 60.5874 72.1118 175.6930 25 T 3.9609 8.3622 116.2810 64.6765 67.3431 177.1227 26 G 3.5030 7.9568 107.6464 47.7666 0.0000 174.9027 27 E 3.8156 8.0133 122.5741 59.1504 29.5944 179.1543 28 I 3.5325 7.5271 119.0965 64.3809 37.1751 178.5050 29 V 3.8424 7.4373 120.0483 65.2467 31.1691 177.6804 30 K 3.8411 8.8174 120.3654 59.7747 31.9269 178.5620 31 L 4.1792 7.7355 117.0418 56.2311 41.9058 178.3512 32 S 4.4857 7.8369 113.5182 56.9000 64.1841 173.4498 33 E 4.1213 7.7589 121.3863 57.6684 27.6160 172.9527 34 S 4.5239 7.8026 112.1417 56.5634 65.4521 172.9681 35 S 4.7431 8.2981 111.4465 55.6962 67.1996 174.3734 36 K 3.9349 8.8963 123.6793 60.0451 31.7799 179.3170 37 G 3.9993 8.3640 105.1465 48.2433 0.0000 174.9253 38 N 4.2890 7.8711 119.1071 56.0697 38.9715 176.5382 39 L 3.9824 8.3152 122.1765 58.7961 41.9392 178.8204 40 Y 4.9742 8.2235 118.8723 60.9900 37.7744 178.3116 *41 Y 4.1447 7.4440 121.4326 62.5562 37.0503 182.1950 42 H 4.3823 7.5792 116.4031 56.4270 29.1742 176.1013 43 F 4.9625 8.0176 122.5072 55.8278 41.4832 176.4697 44 K 4.0967 9.2511 128.0103 57.5518 31.8681 174.0633 45 T 5.0997 7.6960 108.4328 58.6174 73.0932 174.1386 46 K 3.8783 9.0561 123.0127 60.1719 32.1722 178.5204 47 E 4.2033 8.3704 119.3138 58.8933 29.3728 178.8554 48 N 4.3247 7.9743 116.9329 56.4679 39.0334 176.3691 49 L 3.5023 8.4527 122.1520 58.3070 42.1159 178.8209 50 F 3.6854 8.6082 120.5998 61.0706 39.2797 176.8342 51 L 3.7385 7.5772 119.5838 57.7318 41.7979 178.6607 52 E 4.0247 8.3364 119.9340 59.2254 29.6474 178.4392 53 I 3.5324 7.7321 120.2802 64.7137 37.1567 178.3364 54 L 3.7863 7.4602 119.3433 57.4845 41.3223 179.3607 55 N 4.3502 7.8270 116.0924 56.2902 38.4611 177.2111 56 I 3.6369 7.6105 121.1191 64.5525 37.1997 178.0800 57 E 4.0631 8.1436 118.9490 59.7760 29.4505 179.3559 58 E 4.1143 8.5088 118.6919 58.7444 29.5258 178.8457 59 S 4.0851 8.0937 113.6646 61.2641 62.4552 175.9668 60 K 3.6308 8.5447 121.5976 59.0813 31.5782 179.0435 61 W 4.4450 8.8948 131.1729 61.2673 30.6815 178.4584 62 Q 3.9458 8.1298 120.6184 60.4439 27.4161 180.3034 63 E 4.1404 8.3621 121.7635 58.9562 29.5506 178.6950 64 Q 3.9325 8.3427 120.1777 58.7842 29.0360 177.9669 65 W 4.0557 8.1345 129.9203 59.9521 30.4302 177.7565 66 K 3.4769 8.0471 119.3248 59.3925 31.9501 178.6799 67 K 3.9721 7.6189 118.1744 59.6313 32.0996 179.3284 68 E 4.0111 8.1501 119.1644 59.2958 29.3242 179.4854 69 Q 3.2706 7.4775 117.9912 58.4911 28.0546 178.4068 70 I 3.5341 6.6320 120.1962 64.3167 37.3461 177.4066 71 K 3.9589 7.7546 116.0474 57.8102 32.0810 176.5761 72 A 4.6948 7.7529 124.9417 50.6887 20.4067 176.8045 73 K 4.1171 8.3555 126.4986 57.3137 32.7028 175.4041 74 T 4.3610 7.4594 107.8343 60.8592 70.3581 175.3248 75 N 4.5271 9.5772 119.2220 56.0478 38.5890 177.5971 76 R 4.3187 8.2132 119.8414 59.8582 30.0595 178.2027 77 E 4.2672 8.9366 118.2693 59.7557 29.5653 179.3325 78 K 4.2123 8.2639 118.3099 59.8320 32.1371 179.1171 79 F 4.0811 9.0203 121.1234 61.4500 39.4668 176.7385 80 Y 4.1651 8.1428 117.3863 60.4036 37.6880 178.5007 81 L 4.0535 8.4949 121.2562 58.4840 42.4981 178.0049 82 Y 3.4953 8.4170 119.8613 60.8872 38.2210 178.1313 83 N 4.3477 7.8526 116.2496 56.1996 38.9315 176.8247 84 E 4.1476 8.2893 118.9095 58.8767 29.8617 178.7610 85 L 4.0262 8.3584 120.4980 58.0278 41.5253 179.3568 86 S 3.0533 7.4011 113.1536 61.4791 62.6738 176.9025 87 L 3.9915 7.3666 120.1393 58.0688 41.5331 179.3706 88 T 4.0685 7.6935 107.7208 63.7852 69.3726 175.0595 89 T 4.0555 8.0433 116.2304 62.4381 67.8411 173.1637 90 Q 4.4361 8.3396 121.8362 55.7115 29.0355 174.5540 91 Y 5.3007 7.5924 115.7260 56.9422 40.2804 173.3416 92 Y 3.4289 8.9113 128.7202 58.8106 38.4650 170.9297 93 Y 3.9669 7.7823 116.6649 60.6190 38.2726 176.5091 94 P 4.3201 0.0000 0.0000 65.3726 31.6829 177.4368 95 L 4.4292 8.0292 117.2300 54.9323 41.3047 178.7608 96 Q 3.7479 7.7249 121.0450 58.9510 28.7011 177.9637 97 N 4.2145 8.0404 117.2793 56.7560 39.0818 176.5550 98 A 4.1604 8.0193 121.5655 55.2964 18.3946 179.3491 99 I 3.8108 8.1183 118.9187 64.3245 37.1748 178.0006 100 I 3.6374 8.0806 119.5926 64.4787 37.6885 177.5334 101 E 3.9584 8.2331 118.8841 59.5817 29.1593 179.0037 102 F 3.6018 7.6994 119.0135 61.4322 39.5531 176.1276 103 Y 3.9347 8.8342 119.5825 61.0764 38.4271 178.2943 104 T 3.9805 8.1858 110.0022 64.8237 68.8137 175.4401 105 E 4.0946 8.3276 121.2711 57.8714 29.7440 176.1378 106 Y 4.5287 7.4612 116.2148 57.6361 39.1458 175.9489 107 Y 3.8722 8.2633 121.4223 59.2485 38.9410 177.5858 108 K 3.5700 7.3776 121.8213 57.5480 32.1878 183.5511 109 T 3.8700 7.6598 117.8833 63.5736 69.1866 174.5655 110 N 4.2852 8.7549 124.1709 56.2901 38.7603 177.1808 111 S 4.1319 8.0725 115.0283 62.1261 62.8327 176.0584 112 I 3.6675 7.8144 123.7339 63.4482 36.8364 177.4300 113 N 3.8898 8.4557 119.9573 57.8219 38.7432 177.3301 114 E 4.0320 8.3499 119.5909 61.1395 29.9245 181.6616 115 K 4.5381 8.0666 119.3157 59.5551 32.6368 178.9612 116 M 4.1762 8.9657 120.8398 58.7269 32.2892 177.8746 117 N 4.6625 8.8588 119.5792 56.3378 38.3544 178.0021 118 K 3.9502 8.5225 125.9378 59.9718 31.6793 182.1442 119 L 4.3367 8.1118 122.6987 58.4979 41.7971 180.2308 120 E 4.2652 8.1624 117.6444 61.1817 29.4968 181.0993 121 N 4.5846 8.2196 115.3839 56.5311 37.9895 177.2445 122 K 3.9327 7.7842 120.6245 59.6995 32.0576 177.7939 123 Y 4.2501 8.1273 118.8486 61.1645 38.9419 178.0783 124 I 3.8884 7.8044 119.9131 63.9094 37.4132 177.4727 125 D 4.6443 8.7405 119.2041 57.5857 40.8706 178.5570 126 A 4.0272 7.4713 117.8692 55.2961 18.2928 179.2986 127 Y 3.6805 8.1041 115.4259 61.2318 38.0305 177.5002 128 H 4.3060 8.5122 120.1852 58.8431 29.8226 177.0368 129 V 3.7279 8.5076 119.9131 65.9584 31.2223 177.9336 130 I 3.7870 7.5722 119.0164 64.6276 36.7899 178.4622 131 F 4.8778 8.4271 117.3743 61.1561 38.9607 177.1444 132 K 4.2451 9.1297 122.6202 59.7576 30.9986 178.9833 133 E 4.1436 8.8764 119.2415 60.3221 29.8317 181.0148 134 G 3.8596 7.9643 103.4902 46.9653 0.0000 175.4958 135 N 4.1193 8.2948 119.8809 56.6941 38.8753 176.7229 136 L 4.2345 7.8989 120.6903 58.1900 40.8937 177.9342 137 N 4.7464 7.1346 120.1516 53.6629 37.6397 180.3371 138 G 4.0039 7.5200 107.7197 47.8935 0.0000 175.1585 139 E 4.1135 7.2336 120.1713 56.2790 30.1909 175.7792 140 W 4.4580 6.8320 115.8109 56.8200 30.2159 174.1350 141 S 4.9300 8.8137 115.8192 56.0329 64.2075 170.7580 142 I 4.5694 8.4562 123.5477 56.8470 37.8378 171.4531 143 N 4.3897 8.3149 124.8205 53.6306 39.2694 175.3352 144 D 4.6371 7.4697 124.5317 52.2946 40.9389 177.0502 145 V 3.3953 8.4121 124.5761 66.1749 31.4455 176.6893 146 N 4.1741 8.2741 115.6609 56.7969 38.7661 176.2634 147 A 3.9061 7.9885 121.4175 55.2021 18.5304 179.7311 148 V 3.4105 7.5360 116.2429 66.1504 31.2409 178.0171 149 S 4.3046 8.4504 115.1513 61.7904 62.8737 176.7916 150 K 3.9314 7.8801 121.7438 59.2820 31.8182 179.0511 151 I 3.6625 7.9686 120.2484 64.3156 37.0844 177.7813 152 A 3.4192 8.5863 121.7803 55.1271 18.1334 179.0028 153 A 3.5779 7.3503 118.4059 55.8356 18.5445 179.7531 154 N 4.5038 8.0658 113.3641 56.0266 38.4985 177.8109 155 A 3.8099 8.2621 122.7902 55.0058 18.5229 179.5078 156 V 3.1002 7.8967 117.0444 66.3530 31.4956 177.5591 157 N 4.6465 8.8614 116.9051 56.7591 38.5777 177.0663 158 G 3.6974 7.9126 106.5790 48.0105 0.0000 175.6520 159 I 3.6643 7.5130 121.7682 64.0887 36.8156 178.3921 160 V 3.5888 8.1434 119.5604 66.2037 31.2533 178.0169 161 T 3.9048 7.9442 107.8537 63.1840 69.0779 175.1774 162 F 4.9712 7.9919 120.7296 57.5024 39.1472 175.9664 163 T 4.8847 7.7390 108.9708 60.9464 70.0100 174.7546 *164 H 4.6982 7.9532 119.5192 54.6863 24.6539 177.5767 165 E 4.8069 7.1588 124.0244 56.9485 37.4300 177.3503 166 Q 4.3219 7.7758 119.0075 54.6674 30.8046 175.5175 167 N 4.4680 8.3611 115.2881 52.5437 38.0537 175.8152 168 I 3.6702 8.4900 120.3985 64.5425 37.9380 177.9358 169 N 4.3624 8.1056 116.8333 56.3199 38.5316 176.8010 170 E 4.0313 8.1709 120.2423 59.0396 29.7141 179.0500 171 R 3.9503 7.9239 117.8876 59.3726 30.2585 178.9382 172 I 4.0938 8.4131 122.3367 64.5659 36.9761 179.2925 173 K 4.0668 8.0361 125.0118 59.7394 31.5381 183.1696 174 L 4.2510 7.7790 119.9518 57.9187 41.5950 179.2622 175 M 4.2995 8.6361 118.4764 58.5504 32.0831 178.1727 176 N 4.6486 8.4121 116.8199 56.2756 38.8473 177.0667 177 K 3.9737 8.1489 121.0762 59.9660 32.2103 177.9209 178 F 4.1905 8.9766 120.9831 61.5230 38.7931 176.6699 179 S 4.1543 8.8644 112.7059 61.6833 61.9905 176.4407 180 Q 4.4874 8.7771 123.7330 58.6656 28.8722 177.7379 181 I 3.6603 7.8899 120.7795 64.6777 37.0597 178.1247 182 F 3.7885 7.9226 119.9177 61.0886 39.4228 176.9183 183 L 3.7501 7.5478 118.6454 57.7257 41.3030 178.9929 184 N 4.4807 8.3213 115.8231 56.1758 38.8283 176.7708 185 G 3.5036 7.8439 107.2168 46.7402 0.0000 174.3245 186 L 4.0332 6.4173 119.0071 54.6867 42.3784 177.0674 187 S 4.1885 8.1497 113.9116 59.0984 62.1202 174.5324 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.38 4.67 0.00 2.91 3.09 0.00 0.00 6.20 5.79 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 3 L 8.18 3.80 0.00 1.75 1.76 0.92 0.45 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 4 K 8.84 3.99 0.00 1.75 1.87 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.13 7.81 5 D 8.32 4.74 0.00 2.86 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 6 K 7.93 4.11 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 7 I 7.94 3.70 2.22 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.35 0.94 0.00 0.00 8 L 7.76 3.73 0.00 1.72 1.70 1.00 0.48 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 9 G 7.96 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.54 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 1.02 0.00 0.00 0.97 0.00 0.00 11 A 8.51 3.51 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 12 K 7.77 3.90 0.00 1.90 2.02 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.53 7.81 13 E 7.81 3.94 0.00 2.00 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 2.49 2.47 0.00 14 L 8.00 4.00 0.00 1.46 1.46 0.75 0.98 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 15 F 8.27 4.62 0.00 3.32 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.06 3.89 2.00 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 1.38 0.66 0.96 0.00 0.00 17 K 8.52 4.16 0.00 1.80 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 18 N 8.71 5.01 0.00 2.70 2.86 0.00 0.00 7.16 7.64 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 19 G 8.16 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 20 Y 8.55 3.97 0.00 2.79 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 21 N 8.60 4.33 0.00 2.82 2.93 0.00 0.00 6.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.88 4.01 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 0.00 0.00 0.00 0.00 0.00 23 T 7.51 4.09 4.42 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 0.41 0.00 0.00 24 T 8.10 4.37 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 1.22 0.00 0.00 25 T 8.36 3.96 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 26 G 7.96 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.01 3.82 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 28 I 7.53 3.53 1.92 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.87 0.81 0.00 0.00 29 V 7.44 3.84 2.21 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 1.37 0.00 0.00 1.00 0.00 0.00 30 K 8.82 3.84 0.00 1.85 1.92 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.36 7.81 31 L 7.74 4.18 0.00 1.90 1.67 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.84 4.49 0.00 4.07 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 33 E 7.76 4.12 0.00 2.04 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 2.26 2.21 0.00 34 S 7.80 4.52 0.00 3.76 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 35 S 8.30 4.74 0.00 4.05 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 36 K 8.90 3.93 0.00 1.95 2.26 0.00 1.79 0.00 0.00 1.99 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.69 1.61 7.81 37 G 8.36 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 38 N 7.87 4.29 0.00 2.77 2.91 0.00 0.00 6.86 6.49 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 39 L 8.32 3.98 0.00 1.73 1.55 0.76 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.22 4.97 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 Y 7.44 4.14 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 7.58 4.38 0.00 2.45 2.28 0.00 5.56 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.39 1.57 7.81 68 E 8.15 4.01 0.00 2.01 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 2.51 0.00 69 Q 7.48 3.27 0.00 1.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 70 I 6.63 3.53 1.83 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 1.50 0.69 0.84 0.00 0.00 71 K 7.75 3.96 0.00 1.83 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.41 7.81 72 A 7.75 4.69 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.36 4.12 0.00 1.79 1.66 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 0.99 7.81 74 T 7.46 4.36 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 1.24 0.00 0.00 75 N 9.58 4.53 0.00 2.65 3.14 0.00 0.00 7.06 7.69 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 76 R 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.78 3.97 0.00 2.84 2.86 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 94 P 0.00 4.32 0.00 1.99 2.07 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 95 L 8.03 4.43 0.00 1.48 1.43 0.66 1.10 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 96 Q 7.72 3.75 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 97 N 8.04 4.21 0.00 2.78 2.80 0.00 0.00 7.04 7.83 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 98 A 8.02 4.16 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.12 3.81 1.88 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.92 0.00 0.00 100 I 8.08 3.64 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.99 0.00 0.00 101 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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 0.00 1.22 0.00 0.00 110 N 8.75 4.29 0.00 2.71 2.85 0.00 0.00 6.84 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 0.00 111 S 8.07 4.13 0.00 4.06 4.15 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 0.00 112 I 7.81 3.67 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.90 0.81 0.00 0.00 113 N 8.46 3.89 0.00 2.89 2.83 0.00 0.00 7.48 7.58 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 0.00 114 E 8.35 4.03 0.00 2.03 1.94 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 2.24 2.19 0.00 115 K 8.07 4.54 0.00 2.01 2.14 0.00 1.33 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.77 1.52 7.81 116 M 8.97 4.18 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.69 0.00 117 N 8.86 4.66 0.00 3.05 2.95 0.00 0.00 7.11 6.45 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 0.00 118 K 8.52 3.95 0.00 1.71 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81 119 L 8.11 4.34 0.00 2.01 1.86 0.99 1.12 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 0.00 120 E 8.16 4.27 0.00 1.94 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 2.25 2.24 0.00 121 N 8.22 4.58 0.00 3.01 2.94 0.00 0.00 6.49 7.34 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 0.00 122 K 7.78 3.93 0.00 1.88 1.99 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.52 7.81 123 Y 8.13 4.25 0.00 2.54 3.10 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 0.00 0.00 0.00 0.00 124 I 7.80 3.89 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 0.98 0.00 0.00 125 D 8.74 4.64 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.47 4.03 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 0.00 127 Y 8.10 3.68 0.00 3.11 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.51 4.31 0.00 3.35 3.61 0.00 5.91 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 0.00 129 V 8.51 3.73 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.14 0.00 0.00 130 I 7.57 3.79 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.44 1.00 0.00 0.00 131 F 8.43 4.88 0.00 3.08 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 9.13 4.25 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.50 7.81 133 E 8.88 4.14 0.00 2.03 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 2.25 2.21 0.00 134 G 7.96 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 0.00 135 N 8.29 4.12 0.00 3.26 2.91 0.00 0.00 6.85 7.49 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 0.00 136 L 7.90 4.23 0.00 1.80 1.77 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 137 N 7.13 4.75 0.00 3.03 2.73 0.00 0.00 6.97 7.39 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 0.00 138 G 7.52 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 0.00 139 E 7.23 4.11 0.00 1.16 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 2.00 1.75 0.00 140 W 6.83 4.46 0.00 3.24 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 0.00 141 S 8.81 4.93 0.00 3.59 3.64 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 0.00 142 I 8.46 4.57 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 1.41 1.24 0.91 0.00 0.00 143 N 8.31 4.39 0.00 2.67 2.78 0.00 0.00 6.95 8.06 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 0.00 144 D 7.47 4.64 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 3.40 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 0.96 0.00 0.00 0.97 0.00 0.00 146 N 8.27 4.17 0.00 3.05 2.93 0.00 0.00 7.00 8.20 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 0.00 147 A 7.99 3.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.54 3.41 1.65 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 0.24 0.00 0.00 0.63 0.00 0.00 149 S 8.45 4.30 0.00 4.10 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 0.00 150 K 7.88 3.93 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 151 I 7.97 3.66 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 1.11 0.00 0.00 152 A 8.59 3.42 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.35 3.58 1.11 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 0.00 0.00 154 N 8.07 4.50 0.00 2.85 2.89 0.00 0.00 7.04 7.69 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 0.00 155 A 8.26 3.81 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 0.00 156 V 7.90 3.10 2.28 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 0.95 0.00 0.00 0.92 0.00 0.00 157 N 8.86 4.65 0.00 3.20 3.07 0.00 0.00 7.20 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 G 7.91 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 0.00 159 I 7.51 3.66 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.25 0.83 0.00 0.00 160 V 8.14 3.59 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 0.92 0.00 0.00 0.62 0.00 0.00 161 T 7.94 3.90 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 1.12 0.00 0.00 162 F 7.99 4.97 0.00 3.15 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 T 7.74 4.88 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 1.29 0.00 0.00 *164 H 7.95 4.70 0.00 2.95 2.95 0.00 7.22 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 0.00 165 E 7.16 4.81 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 166 Q 7.78 4.32 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 167 N 8.36 4.47 0.00 2.89 2.99 0.00 0.00 5.55 7.41 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 0.00 168 I 8.49 3.67 1.86 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 1.63 1.33 0.91 0.00 0.00 169 N 8.11 4.36 0.00 2.78 2.86 0.00 0.00 6.80 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 0.00 170 E 8.17 4.03 0.00 2.24 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 2.32 2.50 0.00 171 R 7.92 3.95 0.00 2.03 1.95 0.00 3.20 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 172 I 8.41 4.09 2.03 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 1.40 0.87 1.02 0.00 0.00 173 K 8.04 4.07 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 174 L 7.78 4.25 0.00 1.90 1.79 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 175 M 8.64 4.30 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 176 N 8.41 4.65 0.00 3.12 3.01 0.00 0.00 6.55 7.38 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 0.00 177 K 8.15 3.97 0.00 2.11 2.08 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.60 7.81 178 F 8.98 4.19 0.00 3.15 3.28 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 0.00 179 S 8.86 4.15 0.00 4.06 4.06 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 0.00 180 Q 8.78 4.49 0.00 2.51 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.49 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 181 I 7.89 3.66 1.99 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 1.44 0.68 0.91 0.00 0.00 182 F 7.92 3.79 0.00 1.91 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 0.00 183 L 7.55 3.75 0.00 1.87 1.66 -0.07 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.32 4.48 0.00 2.71 2.95 0.00 0.00 7.26 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 G 7.84 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 6.42 4.03 0.00 1.53 1.35 0.08 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 187 S 8.15 4.19 0.00 3.74 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 * Residues marked with a * may have inaccurate shift predictions.