NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.4133 8.1127 120.8662 56.4146 32.5474 177.0486 19 S 4.0580 8.2340 112.0447 61.1615 62.1974 174.6201 20 A 4.1123 8.8514 124.2918 54.9462 18.4725 178.8869 21 E 3.9476 8.0692 116.9684 59.6465 29.6267 179.5838 22 R 3.9702 8.2406 118.1946 58.9797 30.0643 178.7392 23 L 3.4223 7.6949 119.8172 58.2513 41.9506 178.9524 24 T 3.8239 7.6832 115.4995 66.9264 68.4567 176.5023 25 R 3.9304 7.7560 120.2924 59.2797 30.0536 178.5427 26 I 3.7111 8.2307 120.0820 64.4303 37.1668 178.4342 27 L 3.9639 8.1442 119.9511 57.8116 41.4669 179.1487 28 D 4.3667 8.5035 119.0606 57.4741 40.7673 178.9527 29 A 3.9850 8.1476 121.0979 55.1737 18.4148 179.0926 30 C 3.9458 8.5192 117.4772 62.5251 31.0570 175.6287 31 A 3.9800 8.4361 122.5590 55.3400 17.8799 179.3162 32 D 4.3311 8.1077 117.1958 57.6272 40.8557 179.0558 33 L 3.9908 8.3271 119.7994 57.6805 41.4610 179.3389 34 L 3.9871 7.9510 118.9284 58.3258 41.4198 179.5533 35 D 4.4191 7.6072 115.9663 56.8899 40.7332 178.4581 36 E 4.2012 7.6999 118.3688 58.6631 29.9409 177.9837 37 V 4.1594 8.1313 108.5067 60.1635 33.9456 176.5535 38 G 3.9573 7.8788 106.7432 44.6274 0.0000 173.7585 39 Y 4.0996 8.3838 118.2895 60.5361 39.0270 177.5994 40 D 4.2069 8.1408 118.3947 56.8853 41.2906 177.4671 41 A 4.0617 7.8712 120.7140 54.1354 18.8388 177.5554 42 L 3.8293 7.2036 116.6552 56.0832 42.5134 176.9635 43 S 4.6578 8.1181 118.5406 56.0170 67.5890 175.0508 44 T 3.7147 8.2622 116.5273 65.1096 67.0437 176.4099 45 R 3.8409 7.9264 119.9834 59.4625 30.1506 178.0194 46 A 3.9593 7.6842 120.5688 55.1636 18.2214 179.8267 47 V 3.4403 7.6071 116.0306 66.1245 31.6241 177.8897 48 A 3.9803 7.9271 120.4582 55.3390 18.0622 179.6483 49 L 3.9113 8.1958 117.4519 57.8688 41.5106 179.6539 50 R 3.8453 7.9678 117.2042 59.5205 30.1918 178.2772 51 A 4.0348 8.5563 118.7448 52.6243 19.1844 176.5657 52 D 4.3807 7.7417 116.0548 55.7755 38.5404 173.9825 53 V 4.5442 7.8375 116.7682 58.6578 34.8322 174.1820 54 P 4.2879 0.0000 0.0000 63.2422 31.7437 177.4758 55 I 3.8759 8.7803 123.9732 64.5824 36.9216 178.6032 56 G 3.7978 8.2472 106.0799 47.7634 0.0000 175.4199 57 S 4.0919 8.0701 117.4090 61.6326 62.9366 176.9740 58 V 3.7473 7.8598 119.8715 66.5694 31.1166 177.5298 59 Y 4.3414 7.4704 114.5462 60.9598 37.6693 178.7742 60 R 4.0273 7.9625 118.5025 59.1871 30.2835 178.7245 61 F 4.0377 8.1524 116.3440 59.0599 39.3341 175.6310 62 F 5.2481 7.8981 115.8305 55.4948 41.7098 175.8949 63 G 3.7684 10.3558 116.2550 48.1447 0.0000 172.9687 64 N 5.1925 7.7398 116.2504 49.5353 40.9010 174.5727 65 K 3.9006 8.6597 117.3527 59.7962 32.1443 178.3826 66 R 4.2276 8.0380 119.8104 59.0652 29.8553 178.0830 67 Q 4.0542 7.8376 117.1069 59.2909 28.7692 178.6701 68 M 2.5500 7.3568 117.4861 57.9703 32.1066 178.1719 69 A 3.9618 7.9791 120.9269 55.1142 18.5253 179.4203 70 D 4.2438 8.1159 117.3729 57.4180 40.8710 178.8038 71 A 4.1620 7.9312 121.3924 54.8453 18.3338 179.5622 72 L 3.8337 7.8267 118.6572 58.1839 42.2876 178.7977 73 A 4.1158 8.0239 120.8370 55.4150 18.3360 179.2787 74 Q 3.9444 8.5754 118.2309 59.5229 29.1092 178.6605 75 R 3.9832 8.2989 119.7102 59.3343 30.0383 178.0575 76 N 4.5645 8.8134 116.9450 56.4970 38.5497 177.1010 77 L 3.7448 8.2279 121.5146 58.0770 42.1688 178.8409 78 E 3.9971 8.2642 118.5612 59.4495 29.3132 179.5378 79 R 3.9890 8.1461 118.1627 59.3075 30.0570 178.4655 80 Y 4.1704 8.4838 119.1429 60.8072 38.8361 177.8008 81 A 3.8331 8.4213 122.0187 55.2810 18.3439 179.4866 82 E 3.8505 8.6548 117.2519 59.5021 29.4786 179.6062 83 R 4.0064 8.1204 118.2960 59.3306 30.1348 179.1973 84 V 3.3548 7.6109 117.8200 66.3163 31.4337 177.9136 85 T 3.7539 7.8734 115.7814 66.7962 68.3201 176.3583 86 E 3.9377 8.4811 119.6087 59.1982 29.6560 179.4547 87 R 3.8335 8.1365 119.2586 59.0070 30.1052 178.8665 88 L 3.7155 7.8139 118.7532 58.0564 41.3300 179.6136 89 T 3.8764 7.6997 114.3047 66.9141 68.4856 176.1473 90 E 4.2102 8.0536 118.8014 58.3431 29.7236 177.4531 91 A 4.6699 7.9507 117.0351 51.0324 20.6725 176.3153 92 G 3.8988 8.3280 106.1108 45.7543 0.0000 173.5918 93 D 4.7706 8.9521 120.3668 52.6290 39.7114 177.4553 94 G 3.4532 8.7784 108.7354 45.4194 0.0000 174.2576 95 G 4.0056 8.1456 109.3361 43.8119 0.0000 175.2682 96 W 4.4178 8.4138 119.0298 59.1384 28.1488 178.9443 97 R 3.8070 7.1021 118.7735 59.1327 29.5109 179.0074 98 G 3.5740 7.9719 104.6377 47.5628 0.0000 175.2025 99 A 4.0240 7.9944 122.8939 54.9725 18.4699 179.2887 100 L 4.0192 8.6618 118.9972 58.7430 42.1434 179.0019 101 D 4.4672 8.5002 118.8554 57.5652 40.6981 179.0558 102 T 3.8653 8.1164 116.2749 66.7121 68.5578 177.3006 103 V 3.6680 7.8573 114.2611 64.2900 31.5999 178.4486 104 L 4.1480 8.0629 120.0342 58.4994 41.9458 178.7825 105 D 4.4875 8.6513 119.2668 57.5089 40.7611 178.6993 106 E 4.0330 8.5382 119.1948 59.4272 29.3326 178.8128 107 Y 4.2339 8.4974 119.7578 60.6304 38.8852 177.7451 108 L 3.8955 8.5952 120.2248 57.6620 41.7594 179.3732 109 A 3.9242 8.2537 120.8136 55.3749 18.3735 179.4370 110 M 3.5255 7.8050 117.0984 58.3402 31.7054 178.5983 111 K 3.6323 7.1209 118.3422 59.7481 32.2059 178.1780 112 R 4.3537 7.7039 116.1325 57.7108 30.4287 177.4309 113 T 4.3714 7.6660 112.6361 63.2071 71.0988 173.9499 114 A 4.3696 8.1171 125.7389 49.8926 19.4879 174.9390 115 P 4.4417 0.0000 0.0000 64.0802 32.0762 176.8548 116 G 3.9179 10.1691 110.5286 46.0365 0.0000 175.1891 117 F 4.9772 8.1842 122.7006 59.8011 39.6746 177.0072 118 S 4.1098 8.0745 114.6249 61.0500 63.1778 175.5367 119 L 3.9944 7.8690 119.7324 56.5415 41.9454 176.9697 120 I 4.2865 8.0724 120.8372 59.4692 40.4981 174.2347 121 D 3.3700 7.9918 126.6565 53.9450 39.0355 176.8296 122 F 4.9714 8.3482 113.5302 56.7925 38.7640 175.3700 123 G 3.9297 7.3386 112.1270 45.9380 0.0000 175.3951 *138 R 4.3011 8.0518 117.0421 55.5189 32.4354 178.4553 139 V 3.5382 7.6295 116.1704 65.7360 31.5878 177.7193 140 A 4.0626 7.8973 120.1845 54.9405 18.2259 179.3303 141 E 3.7488 8.0149 116.6473 59.5688 29.6463 179.2502 142 R 3.8131 7.8881 118.5736 59.5542 30.1567 178.5746 143 L 4.0075 8.2495 119.0580 57.8877 41.5633 179.4615 144 T 2.4800 7.9604 116.0092 66.1846 68.2543 176.1319 145 E 3.8247 8.0301 120.2598 59.3857 29.4061 178.9344 146 L 3.8941 7.9527 120.0381 58.6384 42.0973 179.2343 147 L 4.3087 8.5328 119.1744 57.5878 41.6619 179.6381 148 S 4.3842 8.4377 114.7806 61.1022 62.9506 176.5355 149 G 3.6776 7.9275 109.1012 48.0760 0.0000 174.7541 150 Y 4.2561 7.6880 121.3806 60.0485 38.9274 177.6648 151 L 4.1061 8.3698 117.1973 53.7614 42.6173 176.5591 152 G 3.9413 7.8454 106.6867 47.0034 0.0000 174.0477 153 R 4.5989 7.8101 116.2517 53.6122 33.3536 176.2068 154 R 4.0708 8.5207 122.5460 55.4321 30.5019 175.9278 155 P 4.5993 0.0000 0.0000 62.5354 29.3138 175.8025 156 D 4.7105 7.6127 125.4043 53.2358 43.0313 176.3304 157 D 4.3378 8.5558 117.9633 57.9715 40.7716 178.2938 158 D 4.3957 8.1684 118.7588 57.6354 40.8502 178.8147 159 L 4.0773 8.0940 120.0013 58.1027 42.1405 179.0543 160 R 3.9984 8.2894 118.2883 59.1586 29.8810 179.0207 161 R 3.9347 8.5499 119.0237 59.3900 30.1055 178.5988 162 V 4.0185 7.9082 119.4060 65.5539 31.3872 178.1105 163 F 3.9989 8.4567 117.3907 60.3257 38.7389 177.2866 164 L 3.9927 8.1742 120.0121 58.2577 41.8670 179.1053 165 V 3.5161 8.2009 118.0634 66.0159 31.3932 177.6596 166 A 3.9778 8.4672 120.7860 55.3422 18.1570 179.8474 167 V 3.5410 8.2416 117.0431 66.1423 31.6695 178.1139 168 E 3.9279 8.4631 118.6812 59.6747 29.3092 179.2872 169 T 3.8662 8.1401 112.9996 64.8316 67.3655 176.3193 170 A 4.0154 8.2851 123.1452 55.0497 18.4064 178.8731 171 D 4.2677 8.2349 116.7636 58.0471 41.2743 178.6637 172 T 3.8793 7.8680 113.1861 64.9389 67.2297 176.1160 173 L 4.0892 8.1103 121.0734 57.3568 41.9320 179.2343 174 V 3.7889 8.3254 118.6839 66.2268 31.5641 178.0203 175 Q 4.0218 8.3063 117.6448 58.9257 28.6210 178.3243 176 L 3.9513 8.1054 121.1202 58.5519 42.0536 179.0524 177 A 4.0451 8.2896 120.3569 55.0787 18.1116 179.1767 178 F 4.5597 8.2355 114.0073 59.4761 39.2396 177.8271 179 R 4.2069 7.6730 117.1309 58.7010 30.0863 178.6066 180 V 3.7534 7.7765 117.3046 64.3989 32.2394 176.2534 181 A 4.6434 7.1668 119.9296 49.6576 21.9986 174.9988 182 P 4.5660 0.0000 0.0000 65.0456 31.5494 177.0350 183 D 4.5045 8.0217 115.4953 53.4636 41.0970 175.1772 184 G 2.4559 7.5221 110.4769 44.8993 0.0000 173.3251 185 D 4.2423 8.5960 126.5385 53.9587 41.7356 177.2771 186 E 3.9955 8.8290 126.5159 59.4263 29.4373 179.4690 187 K 4.0025 8.0153 118.1503 59.3235 32.1284 179.2694 188 I 3.7035 8.0172 120.1220 64.4105 36.9766 178.3390 189 I 3.7466 7.7886 120.4935 64.6557 36.9285 178.2802 190 E 3.9814 8.5136 119.5012 59.4258 29.2562 179.0909 191 E 3.9495 8.5939 118.7674 59.5712 29.4957 179.3638 192 A 4.0318 8.2578 120.6576 55.0980 18.3756 179.6250 193 R 3.8939 8.3044 117.3499 59.6073 30.1186 178.5000 194 E 3.9828 8.4067 118.4321 59.4162 29.5446 178.6855 195 L 3.9527 8.2892 120.6174 58.6751 42.0013 179.1730 196 L 4.1128 8.3651 118.7608 57.8121 41.5320 179.7737 197 R 4.2217 8.4553 118.0017 59.2731 29.9802 178.9157 198 A 4.0497 8.3739 120.7517 55.2886 18.3508 179.0314 199 Y 4.0910 8.0522 117.8725 61.0079 38.9517 178.2863 200 L 3.2909 7.8414 120.1064 57.2591 41.2615 179.6562 201 G 3.7761 7.7073 105.1360 47.7698 0.0000 175.4844 202 R 3.9779 7.8797 120.1353 59.2287 30.3432 178.5420 203 V 3.9777 7.4421 109.9774 61.2973 31.9205 176.2835 204 L 4.0708 7.0787 119.5210 53.5910 41.5050 176.5938 205 D 4.4874 8.5338 122.6808 53.5408 39.5047 176.1749 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 18 R 8.11 4.41 0.00 1.85 2.02 0.00 3.36 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 19 S 8.23 4.06 0.00 4.05 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 20 A 8.85 4.11 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 21 E 8.07 3.95 0.00 2.23 2.03 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 2.42 2.42 0.00 22 R 8.24 3.97 0.00 2.22 2.13 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 23 L 7.69 3.42 0.00 1.04 1.60 0.39 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.68 3.82 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 1.26 0.00 0.00 25 R 7.76 3.93 0.00 2.01 1.93 0.00 3.35 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 I 8.23 3.71 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 1.58 0.58 1.06 0.00 0.00 27 L 8.14 3.96 0.00 2.02 1.70 0.91 1.40 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 28 D 8.50 4.37 0.00 2.80 2.73 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 0.00 0.00 0.00 0.00 29 A 8.15 3.99 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 30 C 8.52 3.95 0.00 2.94 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.44 3.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.11 4.33 0.00 2.86 2.73 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 0.00 0.00 0.00 0.00 33 L 8.33 3.99 0.00 1.78 1.70 0.93 0.53 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 34 L 7.95 3.99 0.00 1.94 1.74 0.91 1.05 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 35 D 7.61 4.42 0.00 2.85 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 36 E 7.70 4.20 0.00 1.89 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 2.34 0.00 37 V 8.13 4.16 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 0.68 0.00 0.00 0.98 0.00 0.00 38 G 7.88 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 39 Y 8.38 4.10 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.14 4.21 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.87 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.20 3.83 0.00 1.72 1.54 0.78 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.12 4.66 0.00 4.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.26 3.71 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 45 R 7.93 3.84 0.00 2.02 1.95 0.00 3.29 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 46 A 7.68 3.96 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 47 V 7.61 3.44 2.18 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 1.01 0.00 0.00 0.89 0.00 0.00 48 A 7.93 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.20 3.91 0.00 1.84 1.73 0.93 1.09 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 50 R 7.97 3.85 0.00 1.80 2.16 0.00 3.31 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 51 A 8.56 4.03 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 52 D 7.74 4.38 0.00 2.82 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 53 V 7.84 4.54 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 0.78 0.00 0.00 1.00 0.00 0.00 54 P 0.00 4.29 0.00 2.23 2.07 0.00 3.66 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 2.14 2.15 0.00 55 I 8.78 3.88 1.99 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 1.65 1.34 1.21 0.00 0.00 56 G 8.25 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 57 S 8.07 4.09 0.00 4.18 4.12 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 58 V 7.86 3.75 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 1.08 0.00 0.00 0.97 0.00 0.00 59 Y 7.47 4.34 0.00 2.98 2.99 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 60 R 7.96 4.03 0.00 1.81 1.73 0.00 3.06 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 61 F 8.15 4.04 0.00 2.82 1.59 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 62 F 7.90 5.25 0.00 3.03 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 10.36 3.77 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 0.00 0.00 0.00 64 N 7.74 5.19 0.00 2.86 2.98 0.00 0.00 5.76 7.20 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 65 K 8.66 3.90 0.00 1.71 1.72 0.00 0.73 0.00 0.00 0.80 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.25 7.81 66 R 8.04 4.23 0.00 2.08 1.99 0.00 3.43 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 67 Q 7.84 4.05 0.00 2.56 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 68 M 7.36 2.55 0.00 1.87 1.45 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.15 0.00 69 A 7.98 3.96 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 70 D 8.12 4.24 0.00 2.89 2.73 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 0.00 0.00 0.00 0.00 71 A 7.93 4.16 1.46 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 72 L 7.83 3.83 0.00 1.72 1.78 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.02 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.58 3.94 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 75 R 8.30 3.98 0.00 2.06 2.09 0.00 3.18 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 76 N 8.81 4.56 0.00 3.27 3.43 0.00 0.00 6.62 6.65 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 77 L 8.23 3.74 0.00 1.76 1.86 0.32 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.26 4.00 0.00 2.10 2.01 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 2.59 2.52 0.00 79 R 8.15 3.99 0.00 2.24 2.07 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 80 Y 8.48 4.17 0.00 3.40 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 81 A 8.42 3.83 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 82 E 8.65 3.85 0.00 2.11 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 2.32 2.49 0.00 83 R 8.12 4.01 0.00 1.95 2.05 0.00 3.17 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 84 V 7.61 3.35 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 0.91 0.00 0.00 0.15 0.00 0.00 85 T 7.87 3.75 4.33 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 1.17 0.00 0.00 86 E 8.48 3.94 0.00 2.14 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 0.00 2.46 2.30 0.00 87 R 8.14 3.83 0.00 1.96 1.94 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 88 L 7.81 3.72 0.00 1.54 0.85 0.49 0.06 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 89 T 7.70 3.88 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 1.22 0.00 0.00 90 E 8.05 4.21 0.00 2.12 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 2.36 0.00 91 A 7.95 4.67 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 92 G 8.33 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.95 4.77 0.00 2.77 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 94 G 8.78 3.45 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 0.00 95 G 8.15 4.01 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 0.00 0.00 0.00 96 W 8.41 4.42 0.00 3.54 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.10 3.81 0.00 1.41 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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 0.00 153 R 7.81 4.60 0.00 1.86 1.85 0.00 3.25 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 154 R 8.52 4.07 0.00 1.77 1.86 0.00 3.24 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 155 P 0.00 4.60 0.00 2.16 2.00 0.00 3.80 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 1.95 1.90 0.00 156 D 7.61 4.71 0.00 2.97 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 0.00 157 D 8.56 4.34 0.00 2.71 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 0.00 158 D 8.17 4.40 0.00 2.83 2.73 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 0.00 0.00 0.00 0.00 159 L 8.09 4.08 0.00 1.84 1.79 1.01 1.01 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 0.00 160 R 8.29 4.00 0.00 2.06 1.98 0.00 3.17 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 161 R 8.55 3.93 0.00 1.95 2.15 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 162 V 7.91 4.02 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 1.02 0.00 0.00 0.93 0.00 0.00 163 F 8.46 4.00 0.00 3.47 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.17 3.99 0.00 1.90 1.96 0.94 0.70 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 0.00 165 V 8.20 3.52 2.35 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 0.65 0.00 0.00 0.99 0.00 0.00 166 A 8.47 3.98 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 0.00 167 V 8.24 3.54 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 1.09 0.00 0.00 1.08 0.00 0.00 168 E 8.46 3.93 0.00 2.12 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 2.33 2.46 0.00 169 T 8.14 3.87 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 1.15 0.00 0.00 170 A 8.29 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.23 4.27 0.00 2.85 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 0.00 172 T 7.87 3.88 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 0.00 173 L 8.11 4.09 0.00 1.79 1.74 0.93 0.59 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 0.00 174 V 8.33 3.79 2.38 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 1.12 0.00 0.00 1.21 0.00 0.00 175 Q 8.31 4.02 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.49 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 176 L 8.11 3.95 0.00 1.89 1.92 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 177 A 8.29 4.05 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 0.00 178 F 8.24 4.56 0.00 3.00 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 0.00 179 R 7.67 4.21 0.00 2.01 2.01 0.00 3.18 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 180 V 7.78 3.75 2.18 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 0.83 0.00 0.00 0.99 0.00 0.00 181 A 7.17 4.64 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 0.00 182 P 0.00 4.57 0.00 2.04 2.15 0.00 3.60 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 2.01 2.11 0.00 183 D 8.02 4.50 0.00 2.52 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 0.00 184 G 7.52 2.46 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 0.00 185 D 8.60 4.24 0.00 2.63 2.52 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 0.00 186 E 8.83 4.00 0.00 1.98 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 2.36 2.33 0.00 187 K 8.02 4.00 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 188 I 8.02 3.70 1.88 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 1.77 0.88 0.94 0.00 0.00 189 I 7.79 3.75 2.02 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 1.63 0.82 0.98 0.00 0.00 190 E 8.51 3.98 0.00 2.03 2.02 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 2.68 2.51 0.00 191 E 8.59 3.95 0.00 2.15 2.03 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 2.55 2.50 0.00 192 A 8.26 4.03 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 0.00 193 R 8.30 3.89 0.00 2.07 2.12 0.00 3.24 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 194 E 8.41 3.98 0.00 2.21 2.03 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 2.52 2.50 0.00 195 L 8.29 3.95 0.00 1.78 1.93 0.90 0.57 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 0.00 196 L 8.37 4.11 0.00 1.79 1.77 0.98 0.96 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 0.00 197 R 8.46 4.22 0.00 2.18 2.28 0.00 3.25 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 198 A 8.37 4.05 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 0.00 199 Y 8.05 4.09 0.00 2.96 3.05 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 0.00 200 L 7.84 3.29 0.00 0.27 0.15 0.62 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 201 G 7.71 3.78 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 0.00 0.00 0.00 202 R 7.88 3.98 0.00 1.91 2.06 0.00 3.28 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 203 V 7.44 3.98 1.80 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 0.62 0.00 0.00 -0.02 0.00 0.00 204 L 7.08 4.07 0.00 1.44 1.44 0.67 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 205 D 8.53 4.49 0.00 2.76 2.62 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.