NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4349 8.1749 117.3744 63.4572 70.0610 172.9519 2 S 4.6230 9.8633 121.6504 55.0014 65.9463 171.5982 3 I 5.2539 8.1074 118.1388 59.6272 41.2186 173.9797 4 M 4.8104 8.6051 119.0650 54.6352 34.8477 173.1911 5 A 5.1471 8.4372 120.7999 50.3521 22.4761 175.5827 6 V 4.5232 8.9990 122.2901 61.1559 34.6627 175.0758 7 T 4.7707 8.7261 118.2054 61.2573 70.0543 173.6867 8 F 4.9140 8.7947 117.5836 55.3416 41.2254 174.5542 9 K 3.6688 9.1209 120.8036 59.9011 31.5345 177.1908 10 D 4.6097 7.5415 114.0399 53.5490 42.5604 176.8985 11 G 4.4255 5.3800 111.1252 45.1300 0.0000 175.8587 12 V 5.1947 8.0607 121.2670 60.1743 33.9331 173.0232 13 I 4.6437 8.9144 122.0576 59.6470 40.6887 174.3381 14 L 5.1135 8.5900 126.0982 53.2145 43.8326 176.0125 15 G 4.3433 9.0985 108.6721 45.0382 0.0000 171.0783 16 A 5.6551 8.4378 120.3689 51.9377 22.1566 176.1245 17 D 4.8214 8.5162 119.7129 52.0381 42.3570 175.9170 18 S 4.9631 8.2960 111.2454 57.3774 63.9755 173.0165 19 R 5.0925 8.4704 120.8926 55.7993 31.9047 175.0627 20 T 4.8025 8.7971 116.2185 60.0529 71.5157 173.0004 21 T 5.1460 8.6465 115.0811 60.0753 72.3615 174.1364 22 T 4.4859 8.8264 112.7043 60.3150 70.1082 174.8594 23 G 4.0526 8.2864 121.9671 47.0394 0.0000 172.5337 24 A 4.4837 8.7175 127.4057 51.7437 19.4309 176.2811 25 Y 4.5318 7.6892 118.9423 56.3620 39.8381 174.9180 26 I 4.2300 7.2529 127.7179 59.6127 36.3729 175.3448 27 A 4.0495 8.1819 129.9124 54.4788 18.7506 177.7444 28 N 4.8257 7.8255 113.6936 52.5093 41.9368 174.6820 29 R 4.5160 8.5720 120.8322 56.3965 30.5387 176.2496 30 V 4.6061 7.9756 112.6188 61.3901 31.7943 176.3107 31 T 4.0074 8.3916 117.0007 63.8520 69.9337 174.1434 32 D 4.7073 8.6248 124.8979 52.8482 41.7687 175.6660 33 K 4.3585 8.6335 123.9892 56.6456 33.6044 176.1853 34 L 4.7963 8.1218 121.3423 53.8879 42.3815 175.9692 35 T 4.5914 8.8617 121.4286 61.5263 71.5222 173.6239 36 R 3.3436 7.8308 126.0764 55.0598 30.2999 176.2551 37 V 4.1886 7.8317 118.7511 61.6059 33.5246 174.8261 38 H 4.5344 7.7103 117.3874 55.1349 32.5151 173.8634 39 D 4.5483 8.3617 123.4059 57.0066 40.6876 179.3466 40 K 5.0321 8.2149 116.9279 56.2095 34.2970 175.5753 41 I 5.0584 8.4018 121.3419 59.7666 40.4782 174.8678 42 W 5.3612 9.6448 127.1692 54.9524 33.3785 174.1240 43 C 5.2649 9.3876 114.5054 57.4190 33.2362 172.5921 44 C 5.3058 9.0443 117.8132 58.2061 30.3127 173.1875 45 R 5.1243 8.4818 122.8312 54.7267 31.8963 175.7681 46 S 4.5614 8.7202 116.3767 56.8552 66.8278 173.9898 47 G 3.9890 8.9928 106.0558 44.5230 0.0000 175.5349 48 S 4.3022 9.8455 120.9459 57.2453 63.0081 174.4921 49 A 3.9919 8.8794 129.7559 55.2189 18.2342 179.1774 50 A 3.9469 7.9596 118.7113 55.4722 18.5330 179.4647 51 D 4.3153 8.4454 117.9305 57.8183 40.9474 179.2301 52 T 4.0247 8.4204 110.7467 64.7054 68.7524 176.6678 53 Q 3.9590 8.3397 120.7049 58.8868 28.8274 178.6007 54 A 4.0868 8.0157 121.6613 55.1424 18.2917 179.8864 55 I 3.6373 7.9061 118.0673 64.4125 37.2824 178.2868 56 A 4.0172 8.4725 121.9977 55.4957 18.3693 179.2029 57 D 4.3512 8.5138 117.6293 57.8437 40.8343 179.4238 58 I 3.7980 7.5287 119.6658 64.1330 37.0242 178.6066 59 V 3.4030 7.9642 119.5970 65.9247 31.2013 177.6801 60 Q 4.0544 8.3468 119.6951 59.5080 28.8464 177.8258 61 Y 4.0164 7.8948 119.9721 61.1275 38.8457 177.8702 62 H 3.9103 8.3258 117.1885 58.6956 28.7095 177.8411 63 L 4.0370 8.2650 121.2849 57.3896 41.4400 179.0541 64 E 3.9159 8.2861 119.6065 59.2500 29.5410 178.7131 65 L 3.8267 7.5731 120.3503 57.9277 41.9608 178.2264 66 Y 3.8656 7.9603 119.5728 61.0161 38.5743 178.1575 67 T 4.5953 8.0758 116.8506 66.4310 68.6676 176.2499 68 S 4.1656 7.7701 115.6497 61.4542 62.8600 176.2583 69 Q 3.9625 7.0691 118.7067 57.1566 28.9708 176.4423 70 Y 4.5353 7.6064 116.3528 57.6234 39.4629 175.4911 *72 G 4.0609 7.6300 108.9814 45.4661 0.0000 172.3202 73 T 4.2180 8.5636 115.6616 63.4513 68.7831 172.3200 74 P 4.5666 0.0000 0.0000 61.7051 32.8528 176.4858 75 S 4.4427 8.0714 115.3174 58.2276 65.0581 175.4769 76 T 3.9316 8.2521 118.6320 66.4500 68.1433 176.6731 77 E 3.9302 8.0701 120.9844 59.6315 29.8725 178.7540 78 T 3.7730 7.9910 115.5237 66.5926 68.4585 176.4482 79 A 3.9678 7.8396 121.9949 55.1432 18.4579 179.5969 80 A 4.1632 8.2556 119.0643 54.9962 18.2698 179.7561 81 S 4.1236 7.9827 112.2051 61.2238 62.4922 176.4849 82 V 3.5287 7.7382 120.8022 65.8036 31.2391 177.9636 83 F 4.0011 8.1642 117.5222 60.5466 38.7616 177.4051 84 K 3.9855 8.1903 119.1482 59.5621 31.9179 178.2710 85 E 3.9841 8.5185 119.6373 59.3147 29.4460 178.7891 86 L 4.0092 7.9882 118.8825 58.2268 41.5194 179.4465 87 C 4.2381 8.4145 115.7094 62.6863 28.3216 175.4336 88 Y 4.2061 8.4932 121.5903 60.7689 38.3668 177.2794 89 E 3.9521 8.2464 119.0238 58.4709 29.5969 176.9468 90 N 5.0280 7.8545 115.9696 52.4121 39.3142 176.4447 91 K 3.7035 7.7762 120.9269 60.2226 32.7343 177.7934 92 D 4.3242 7.5774 118.1731 56.6187 40.9042 177.3992 *94 N 5.1043 7.8803 114.6814 52.6231 40.0298 173.7208 95 L 5.1458 7.7263 116.4626 53.6187 45.7396 176.8233 96 T 4.7328 8.5703 116.2017 61.5416 69.5798 170.9163 97 A 4.9058 8.2179 122.6212 49.9554 22.1553 175.8817 98 G 4.0084 9.0610 111.1812 45.2767 0.0000 172.0367 99 I 4.8704 8.2935 126.7143 59.0798 40.4407 175.1947 100 I 4.3613 8.3597 126.8178 59.5394 39.4065 174.5760 101 V 4.6840 8.3185 126.6884 61.0621 33.2879 174.6303 102 A 4.8163 9.1911 129.0923 50.3595 22.3863 174.9418 103 G 4.5905 8.6634 107.2835 44.9401 0.0000 171.1151 104 Y 4.7463 8.8202 122.9990 55.4311 40.6437 175.2782 105 D 4.1162 7.4330 124.6167 54.2032 41.6623 174.9645 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 1 T 8.17 4.43 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 2 S 9.86 4.62 0.00 3.71 3.73 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 3 I 8.11 5.25 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 1.40 0.65 0.97 0.00 0.00 4 M 8.61 4.81 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 5 A 8.44 5.15 1.20 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 0.00 0.00 6 V 9.00 4.52 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.93 0.00 0.00 7 T 8.73 4.77 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 8 F 8.79 4.91 0.00 3.26 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 9 K 9.12 3.67 0.00 1.78 1.99 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.48 7.81 10 D 7.54 4.61 0.00 2.48 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 11 G 5.38 4.43 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 0.00 12 V 8.06 5.19 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 0.80 0.00 0.00 1.05 0.00 0.00 13 I 8.91 4.64 1.76 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.69 0.80 0.00 0.00 14 L 8.59 5.11 0.00 1.44 1.58 0.89 0.97 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 15 G 9.10 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 0.00 0.00 0.00 0.00 16 A 8.44 5.66 1.20 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 0.00 0.00 17 D 8.52 4.82 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.30 4.96 0.00 3.93 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 19 R 8.47 5.09 0.00 1.81 2.00 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 20 T 8.80 4.80 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 21 T 8.65 5.15 4.46 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 1.18 0.00 0.00 22 T 8.83 4.49 4.31 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 1.28 0.00 0.00 23 G 8.29 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 24 A 8.72 4.48 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 25 Y 7.69 4.53 0.00 2.96 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 26 I 7.25 4.23 1.56 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 0.80 0.00 0.00 27 A 8.18 4.05 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 28 N 7.83 4.83 0.00 2.77 2.59 0.00 0.00 6.76 7.53 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 29 R 8.57 4.52 0.00 1.90 1.94 0.00 3.00 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 7.98 4.61 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.39 4.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 32 D 8.62 4.71 0.00 2.70 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 33 K 8.63 4.36 0.00 1.78 1.84 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.48 7.81 34 L 8.12 4.80 0.00 1.87 1.86 0.92 0.73 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 35 T 8.86 4.59 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 1.17 0.00 0.00 36 R 7.83 3.34 0.00 0.67 1.07 0.00 3.07 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 0.00 37 V 7.83 4.19 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 0.88 0.00 0.00 1.11 0.00 0.00 38 H 7.71 4.53 0.00 3.15 3.14 0.00 5.91 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 39 D 8.36 4.55 0.00 2.72 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 40 K 8.21 5.03 0.00 1.85 1.98 0.00 1.82 0.00 0.00 2.09 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.59 7.81 41 I 8.40 5.06 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 1.28 0.67 1.03 0.00 0.00 42 W 9.64 5.36 0.00 3.18 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.39 5.26 0.00 2.77 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 44 C 9.04 5.31 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 45 R 8.48 5.12 0.00 1.74 1.86 0.00 3.21 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 46 S 8.72 4.56 0.00 3.80 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 47 G 8.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.85 4.30 0.00 3.84 3.98 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 49 A 8.88 3.99 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 50 A 7.96 3.95 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 51 D 8.45 4.32 0.00 2.70 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 52 T 8.42 4.02 4.31 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 1.29 0.00 0.00 53 Q 8.34 3.96 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 54 A 8.02 4.09 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 55 I 7.91 3.64 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.82 1.00 0.00 0.00 56 A 8.47 4.02 1.50 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 57 D 8.51 4.35 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 58 I 7.53 3.80 1.97 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 1.34 0.77 0.96 0.00 0.00 59 V 7.96 3.40 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 0.61 0.00 0.00 -0.16 0.00 0.00 60 Q 8.35 4.05 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 61 Y 7.89 4.02 0.00 3.13 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 62 H 8.33 3.91 0.00 3.32 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.26 4.04 0.00 1.65 1.64 0.94 0.61 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 64 E 8.29 3.92 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 2.24 2.29 0.00 65 L 7.57 3.83 0.00 1.37 1.36 0.82 0.78 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 66 Y 7.96 3.87 0.00 3.30 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 67 T 8.08 4.60 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 68 S 7.77 4.17 0.00 3.86 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 69 Q 7.07 3.96 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.32 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 70 Y 7.61 4.54 0.00 2.43 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.63 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 0.00 0.00 0.00 73 T 8.56 4.22 4.32 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 1.29 0.00 0.00 74 P 0.00 4.57 0.00 1.72 1.21 0.00 3.58 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 1.67 1.64 0.00 75 S 8.07 4.44 0.00 4.03 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 76 T 8.25 3.93 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 77 E 8.07 3.93 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 78 T 7.99 3.77 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 79 A 7.84 3.97 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 80 A 8.26 4.16 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 81 S 7.98 4.12 0.00 3.99 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 82 V 7.74 3.53 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 0.83 0.00 0.00 0.88 0.00 0.00 83 F 8.16 4.00 0.00 3.31 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 84 K 8.19 3.99 0.00 1.94 2.07 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.60 7.81 85 E 8.52 3.98 0.00 2.34 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 2.32 2.44 0.00 86 L 7.99 4.01 0.00 1.97 1.73 0.84 0.78 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 87 C 8.41 4.24 0.00 3.02 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 88 Y 8.49 4.21 0.00 3.01 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 89 E 8.25 3.95 0.00 2.34 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 2.39 2.37 0.00 90 N 7.85 5.03 0.00 2.88 2.74 0.00 0.00 6.58 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 91 K 7.78 3.70 0.00 1.83 2.05 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.38 1.31 7.81 92 D 7.58 4.32 0.00 2.56 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 *94 N 7.88 5.10 0.00 2.73 2.87 0.00 0.00 7.05 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.73 5.15 0.00 1.59 1.54 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.57 4.73 4.26 0.00 0.00 0.00 0.00 0.00 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 97 A 8.22 4.91 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 98 G 9.06 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 99 I 8.29 4.87 1.75 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.38 0.00 0.00 100 I 8.36 4.36 1.84 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 1.08 1.06 0.89 0.00 0.00 101 V 8.32 4.68 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 0.81 0.00 0.00 0.51 0.00 0.00 102 A 9.19 4.82 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 0.00 103 G 8.66 4.59 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 0.00 0.00 0.00 104 Y 8.82 4.75 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.43 4.12 0.00 2.43 2.19 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 * Residues marked with a * may have inaccurate shift predictions.