NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3946 8.2493 123.5806 51.8320 20.7553 177.5269 2 T 4.2635 7.7384 102.8522 61.3068 70.8736 172.9315 3 S 4.0321 8.0624 115.9018 59.2413 63.3669 174.9935 4 T 4.4046 8.4654 115.7866 61.9366 69.1227 175.2088 5 K 4.4687 7.7544 120.5824 56.9836 33.8913 177.1383 6 K 4.4999 7.3414 114.9219 56.4021 31.4816 179.1483 7 L 4.5999 8.4413 126.2859 54.2856 43.2985 174.8696 8 H 4.8895 8.3354 117.0136 53.9274 31.5283 173.6710 9 K 4.4312 8.5841 123.5825 55.4252 33.1429 176.0246 10 E 4.7919 8.3600 122.0245 53.4867 32.9090 174.1491 11 P 4.4571 0.0000 0.0000 63.0469 32.2029 175.3510 12 A 4.6378 7.9429 120.8923 51.4511 21.8813 175.3103 13 T 4.7491 7.9379 108.8695 59.2319 72.1977 173.7519 14 L 4.1447 8.1838 121.2952 54.5906 42.1782 177.3109 15 I 3.9431 8.0273 122.5643 60.4832 37.7379 176.5302 16 K 3.9392 8.4497 124.2198 56.4753 33.0201 176.7379 17 A 3.9146 7.8606 123.7371 51.9674 18.8761 177.4736 18 I 3.9657 7.7503 121.0294 60.9294 38.2422 176.3007 19 D 4.7753 8.4847 123.6270 53.7212 41.5669 177.7674 20 G 3.8211 8.7846 110.3869 48.5060 0.0000 174.1649 21 D 4.7633 8.1250 117.4651 53.2805 39.8467 175.0430 22 T 5.0252 7.7323 116.7662 62.1448 70.7836 174.0892 23 V 4.4612 8.9563 125.4553 61.1471 34.8837 173.9469 24 K 5.1672 8.8434 127.0852 54.9830 33.7676 175.6681 25 L 4.9314 9.0107 123.4704 53.2513 46.8932 175.0025 26 M 4.8334 8.7066 121.1635 55.0075 33.2742 174.9185 27 Y 4.7868 9.0646 127.4603 56.9098 41.5953 175.1107 28 K 3.7069 9.7235 127.1361 57.3410 29.7890 175.8759 29 G 3.9846 9.3804 104.3061 45.2708 0.0000 173.5791 30 Q 4.5921 8.0594 119.5844 53.0496 32.4029 172.1145 31 P 4.9671 0.0000 0.0000 63.4249 32.3052 175.2355 32 M 4.7487 9.2306 121.8509 54.4260 36.2610 173.4578 33 T 4.6696 8.3537 122.1476 62.6890 70.3776 173.6595 34 F 5.1032 9.5093 125.3461 55.7358 42.0549 174.5724 35 R 4.9709 8.9402 122.4858 54.2520 32.4697 174.9629 36 L 4.3576 8.6781 127.4177 54.5969 42.0760 177.2168 37 L 3.9635 8.5393 124.3120 55.6858 42.8579 178.1106 38 L 4.3347 8.8566 120.0763 55.5135 39.2136 173.9180 39 V 5.0452 7.2719 110.5264 59.7819 36.0637 175.1287 40 D 4.8635 8.9547 121.8454 53.5388 43.7525 174.5945 41 T 4.7695 9.1705 117.4060 60.0788 70.3302 173.1152 42 P 4.5604 0.0000 0.0000 62.6431 32.2203 176.1499 43 E 4.4444 8.5418 119.6388 56.0737 30.6113 177.2427 *50 F 4.4317 8.5499 121.9542 58.2661 41.0019 175.4793 51 N 4.6146 8.4478 115.1848 53.6663 38.9936 174.6367 52 E 4.4821 7.9022 119.0457 53.7775 31.6314 175.1634 53 K 3.7754 8.1674 121.1004 58.3079 32.4834 176.6472 54 Y 3.9122 7.6438 120.6817 58.7578 36.2095 171.3132 55 G 3.6050 7.8571 107.5220 47.7058 0.0000 174.0776 56 P 3.6594 0.0000 0.0000 64.5648 31.1741 178.6845 57 E 3.9763 8.0287 116.7761 59.2850 29.4495 179.0312 58 A 4.0506 8.2218 120.9270 55.1867 18.4346 179.5570 59 S 4.1253 8.2533 111.3853 61.6570 62.4536 176.2971 60 A 4.0893 8.4354 123.7451 54.9740 18.0895 179.3601 61 F 3.9014 8.5545 119.3505 61.4429 39.4486 177.3305 62 R 3.9222 8.3913 118.3605 59.3129 29.9282 178.2978 63 K 3.8990 8.4923 119.8577 59.4847 32.0874 178.7189 64 K 3.9761 8.2811 120.1978 59.4323 31.8424 178.5709 65 M 3.8439 7.4924 117.7171 58.5728 32.5578 178.1681 66 V 3.7222 7.9544 118.6398 65.9591 31.6235 177.4959 67 E 4.2102 8.5652 115.9486 57.8591 29.5927 177.0088 68 N 4.6826 7.5993 114.8555 52.8283 39.4641 175.3071 69 A 4.3167 7.3588 121.6537 51.9860 18.9699 178.1338 70 K 4.1797 9.1390 121.4331 58.6424 32.6475 178.0632 71 K 4.6072 8.7055 118.6054 54.8953 36.2187 175.4416 72 I 4.9811 8.5106 125.8295 59.7142 39.1375 174.9476 73 E 4.8979 9.2659 125.2513 54.6043 33.4475 175.2150 74 V 4.6959 8.3506 114.4672 59.5608 35.0196 175.1409 75 E 4.5891 8.8609 124.4359 54.6543 32.3897 174.7567 76 F 4.5726 8.9521 125.7884 57.4245 40.2774 175.7356 77 D 4.9691 8.4673 120.4200 53.4922 43.2667 175.6115 78 K 4.3950 8.7941 117.1700 57.7888 33.4373 178.4765 79 G 4.1337 7.8428 111.6097 44.5121 0.0000 174.4119 80 Q 3.9534 8.7914 125.8638 56.6923 29.5205 176.5360 81 R 4.3655 8.6472 124.8303 57.6712 30.8936 175.8222 82 T 5.0862 7.4723 105.8380 59.5379 71.9051 173.2011 83 D 4.7291 8.6823 123.8212 51.8357 41.2228 177.1250 84 K 3.9055 8.3378 117.2611 59.2041 32.4310 177.0048 85 Y 4.3942 8.0427 116.0340 57.5432 38.0749 176.2259 86 G 3.9082 8.2091 107.9096 45.6664 0.0000 173.9277 87 R 4.3529 8.2942 119.5576 55.0177 31.8674 176.2423 88 G 3.8491 8.6609 111.7136 46.2961 0.0000 172.4940 89 L 5.1984 9.1745 126.6440 53.8669 42.2121 175.9746 90 A 4.4993 8.3880 125.0966 50.5288 23.4307 173.8982 91 Y 4.9159 8.4415 117.1263 56.0287 40.0399 175.1357 92 I 4.8477 8.0265 123.5845 59.6162 40.8447 173.9379 93 Y 5.1432 9.1700 123.2289 56.0841 41.7128 174.5747 94 A 4.8114 9.1912 125.6467 49.9547 21.2363 176.1875 95 D 4.0778 9.8403 125.2594 56.2910 38.9380 175.7837 96 G 3.9777 8.2958 104.9973 45.4245 0.0000 173.3907 97 K 4.5034 7.7064 120.2945 55.0335 33.6926 175.3476 98 M 4.2104 8.4959 123.3091 54.7735 33.2993 177.0397 99 V 3.6362 8.7831 126.9677 66.0533 31.7618 177.5600 100 N 4.2819 8.0864 115.7985 56.5989 38.4582 176.7281 101 E 4.0134 8.1130 119.5848 59.1863 29.7712 178.5192 102 A 4.0719 8.1563 120.8143 55.1246 18.4377 179.4799 103 L 3.4725 8.2287 117.7932 57.9272 41.6380 180.0790 104 V 3.8733 7.4795 119.4092 65.5022 31.2851 178.0910 105 R 4.0693 8.3053 117.7700 58.9173 29.9194 177.4515 106 Q 4.3757 7.6731 115.6356 54.5835 29.1073 175.6470 107 G 3.9128 8.1034 108.6419 46.8777 0.0000 175.0134 108 L 4.5298 7.7739 117.6144 54.1808 42.5057 176.4213 109 A 4.7275 7.5240 119.7948 50.6639 22.8908 175.3651 110 K 4.7437 8.6013 118.8974 54.3516 35.3326 176.2094 111 V 4.3105 9.0352 123.3778 63.3889 32.2597 175.0210 112 A 4.1918 9.0656 127.7272 50.8595 23.3305 174.9437 113 Y 3.3494 7.2930 113.7231 58.9354 35.2788 172.6040 114 V 3.9022 7.0538 118.4544 61.6624 32.1056 174.0264 115 Y 4.9842 7.9028 124.9801 55.4390 40.6570 175.3873 116 K 4.2951 8.8273 125.5145 58.1825 32.5209 176.3322 117 G 4.2574 9.2038 114.9456 45.6497 0.0000 173.2542 118 N 5.2959 8.2384 117.2521 53.2015 39.7906 173.9317 119 N 5.2591 8.1032 112.1385 52.5475 38.2724 176.3822 120 T 3.8473 8.6993 118.3992 67.9384 68.8745 175.0881 121 H 4.8703 7.8460 116.8860 55.6225 29.3084 176.4345 122 E 3.9303 8.3026 122.5023 59.9826 29.2999 178.9389 123 Q 3.9770 8.0408 117.2230 58.5353 28.8480 178.2915 124 L 3.9223 7.8365 121.0981 58.2607 42.1683 178.9680 125 L 4.0464 7.9070 118.8780 57.7974 41.5500 179.7075 126 R 3.8945 8.3074 118.3840 58.8804 29.8247 178.8928 127 K 3.8409 8.2733 119.4199 59.5305 32.1909 178.6739 128 A 3.9749 7.9134 120.8344 55.1478 18.2909 179.2021 129 E 3.9076 8.4985 117.8152 59.2391 29.6081 178.9010 130 A 3.7838 8.0209 120.8741 55.2938 18.4716 179.7116 131 Q 3.8459 7.8712 116.1729 58.8082 28.6604 178.7462 132 A 4.0083 7.9000 121.9590 55.0030 18.3652 179.6641 133 K 3.3480 7.6369 118.1032 59.2246 31.9189 179.0082 134 K 3.8568 7.7659 118.9579 59.3986 32.2381 177.9705 135 E 4.1623 8.4824 115.8360 55.9062 29.6144 176.6213 136 K 3.9900 7.9806 117.8142 57.0921 30.8009 175.1342 137 L 4.2653 8.3284 118.2136 55.6465 44.1895 177.6356 138 N 3.6407 9.2475 120.3010 53.9949 37.7616 176.6074 139 I 2.9282 5.4200 126.9483 64.4967 37.4538 176.5961 140 W 4.8373 7.9175 117.9173 56.4604 29.2132 176.4668 141 S 4.4546 7.9803 119.6909 58.5406 62.6620 173.9536 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 A 8.25 4.39 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 2 T 7.74 4.26 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 3 S 8.06 4.03 0.00 3.84 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 4 T 8.47 4.40 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 1.23 0.00 0.00 5 K 7.75 4.47 0.00 1.77 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.40 7.81 6 K 7.34 4.50 0.00 1.67 0.80 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.41 7.81 7 L 8.44 4.60 0.00 1.55 1.53 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.34 4.89 0.00 3.08 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.58 4.43 0.00 1.75 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 10 E 8.36 4.79 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 11 P 0.00 4.46 0.00 2.17 2.05 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 12 A 7.94 4.64 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.94 4.75 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 1.21 0.00 0.00 14 L 8.18 4.14 0.00 1.63 1.61 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.03 3.94 1.83 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 1.44 0.44 0.87 0.00 0.00 16 K 8.45 3.94 0.00 1.80 1.78 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 17 A 7.86 3.91 0.31 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 18 I 7.75 3.97 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 0.91 0.00 0.00 19 D 8.48 4.78 0.00 2.73 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 20 G 8.78 3.82 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 0.00 0.00 0.00 21 D 8.13 4.76 0.00 2.93 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 22 T 7.73 5.03 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 1.25 0.00 0.00 23 V 8.96 4.46 2.15 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 1.00 0.00 0.00 0.95 0.00 0.00 24 K 8.84 5.17 0.00 1.70 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.47 7.81 25 L 9.01 4.93 0.00 1.85 1.62 0.68 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.71 4.83 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 27 Y 9.06 4.79 0.00 3.23 2.97 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 28 K 9.72 3.71 0.00 1.47 1.59 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.77 0.21 7.81 29 G 9.38 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 0.00 0.00 0.00 30 Q 8.06 4.59 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 31 P 0.00 4.97 0.00 2.14 2.07 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 32 M 9.23 4.75 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.54 0.00 33 T 8.35 4.67 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 1.18 0.00 0.00 34 F 9.51 5.10 0.00 3.00 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 35 R 8.94 4.97 0.00 1.84 1.75 0.00 3.35 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 36 L 8.68 4.36 0.00 1.57 1.76 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.54 3.96 0.00 0.87 1.28 0.28 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.86 4.33 0.00 2.01 1.89 1.13 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.27 5.05 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 0.71 0.00 0.00 1.02 0.00 0.00 40 D 8.95 4.86 0.00 2.85 2.48 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 41 T 9.17 4.77 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 1.26 0.00 0.00 42 P 0.00 4.56 0.00 2.03 2.02 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 43 E 8.54 4.44 0.00 2.10 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 0.00 2.37 2.16 0.00 *50 F 8.55 4.43 0.00 3.18 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 51 N 8.45 4.61 0.00 3.15 2.87 0.00 0.00 6.96 7.79 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 52 E 7.90 4.48 0.00 2.11 1.82 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 2.22 2.20 0.00 53 K 8.17 3.78 0.00 1.51 1.56 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.22 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.89 7.81 54 Y 7.64 3.91 0.00 3.15 2.97 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 55 G 7.86 3.60 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 0.00 0.00 0.00 56 P 0.00 3.66 0.00 1.91 1.64 0.00 3.33 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.36 0.00 57 E 8.03 3.98 0.00 2.27 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 0.00 2.48 2.47 0.00 58 A 8.22 4.05 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 59 S 8.25 4.13 0.00 4.20 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 0.00 60 A 8.44 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.55 3.90 0.00 3.22 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 62 R 8.39 3.92 0.00 2.03 2.14 0.00 3.35 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 1.66 1.97 0.00 63 K 8.49 3.90 0.00 2.08 1.92 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.61 7.81 64 K 8.28 3.98 0.00 1.84 1.66 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.38 7.81 65 M 7.49 3.84 0.00 2.03 1.73 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 66 V 7.95 3.72 2.15 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 0.97 0.00 0.00 0.93 0.00 0.00 67 E 8.57 4.21 0.00 2.08 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 2.34 2.28 0.00 68 N 7.60 4.68 0.00 2.71 2.82 0.00 0.00 6.92 7.19 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 69 A 7.36 4.32 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 70 K 9.14 4.18 0.00 1.87 1.88 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.40 7.81 71 K 8.71 4.61 0.00 1.76 1.65 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.41 7.81 72 I 8.51 4.98 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 1.34 0.56 0.94 0.00 0.00 73 E 9.27 4.90 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 74 V 8.35 4.70 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 -0.08 0.00 0.00 0.65 0.00 0.00 75 E 8.86 4.59 0.00 2.19 2.27 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 2.49 2.43 0.00 76 F 8.95 4.57 0.00 3.08 3.04 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 77 D 8.47 4.97 0.00 2.73 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 78 K 8.79 4.40 0.00 1.95 1.90 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.45 7.81 79 G 7.84 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.79 3.95 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 81 R 8.65 4.37 0.00 1.73 1.79 0.00 2.82 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.00 82 T 7.47 5.09 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 1.17 0.00 0.00 83 D 8.68 4.73 0.00 2.92 2.89 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 84 K 8.34 3.91 0.00 1.60 1.76 0.00 0.82 0.00 0.00 1.34 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.70 0.21 7.81 85 Y 8.04 4.39 0.00 3.11 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 86 G 8.21 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.29 4.35 0.00 2.04 1.82 0.00 3.10 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 88 G 8.66 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 89 L 9.17 5.20 0.00 1.59 1.65 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.39 4.50 0.65 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 0.00 0.00 91 Y 8.44 4.92 0.00 2.95 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.03 4.85 1.72 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.64 0.80 0.00 0.00 93 Y 9.17 5.14 0.00 2.85 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 94 A 9.19 4.81 1.22 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 0.00 0.00 95 D 9.84 4.08 0.00 2.78 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 96 G 8.30 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 0.00 0.00 0.00 97 K 7.71 4.50 0.00 2.02 1.77 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 98 M 8.50 4.21 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.19 0.00 99 V 8.78 3.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.93 0.00 0.00 100 N 8.09 4.28 0.00 2.84 2.93 0.00 0.00 6.75 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 0.00 101 E 8.11 4.01 0.00 1.98 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 0.00 2.38 2.36 0.00 102 A 8.16 4.07 1.67 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 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.23 3.47 0.00 1.82 1.66 0.98 1.11 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 0.00 104 V 7.48 3.87 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 1.44 0.00 0.00 1.06 0.00 0.00 105 R 8.31 4.07 0.00 1.84 2.12 0.00 3.34 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 106 Q 7.67 4.38 0.00 1.62 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 107 G 8.10 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.77 4.53 0.00 1.33 1.55 0.70 0.61 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 0.00 109 A 7.52 4.73 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 0.00 110 K 8.60 4.74 0.00 1.68 1.86 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.12 1.09 7.81 111 V 9.04 4.31 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 0.70 0.00 0.00 0.96 0.00 0.00 112 A 9.07 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.29 3.35 0.00 3.06 2.91 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 0.00 0.00 0.00 114 V 7.05 3.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.85 0.00 0.00 115 Y 7.90 4.98 0.00 3.12 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 0.00 116 K 8.83 4.30 0.00 1.78 1.81 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 117 G 9.20 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 0.00 0.00 0.00 0.00 118 N 8.24 5.30 0.00 2.80 2.88 0.00 0.00 6.73 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.10 5.26 0.00 2.86 3.11 0.00 0.00 6.10 7.22 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 0.00 120 T 8.70 3.85 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 1.01 0.00 0.00 121 H 7.85 4.87 0.00 2.81 3.06 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.30 3.93 0.00 2.20 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 2.32 2.38 0.00 123 Q 8.04 3.98 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 124 L 7.84 3.92 0.00 1.73 1.81 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.91 4.05 0.00 2.05 1.72 0.99 1.06 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 0.00 126 R 8.31 3.89 0.00 1.83 1.95 0.00 3.12 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 127 K 8.27 3.84 0.00 1.86 2.05 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 128 A 7.91 3.97 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 0.00 129 E 8.50 3.91 0.00 2.16 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 0.00 2.11 2.55 0.00 130 A 8.02 3.78 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 0.00 131 Q 7.87 3.85 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 132 A 7.90 4.01 1.62 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 0.00 0.00 133 K 7.64 3.35 0.00 0.79 1.40 0.00 1.16 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.61 7.81 134 K 7.77 3.86 0.00 1.68 1.93 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 8.48 4.16 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 136 K 7.98 3.99 0.00 1.85 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.51 7.81 137 L 8.33 4.27 0.00 1.86 1.56 0.95 0.61 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 0.00 138 N 9.25 3.64 0.00 2.75 1.57 0.00 0.00 7.13 7.27 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 0.00 139 I 5.42 2.93 0.90 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.01 -0.08 0.00 0.00 140 W 7.92 4.84 0.00 3.23 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 0.00 141 S 7.98 4.45 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.