NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3459 8.3149 120.1410 55.4014 33.7763 175.3653 2 P 4.3465 0.0000 0.0000 61.7016 32.1497 176.5887 3 G 3.7102 9.0730 111.6892 48.1450 0.0000 175.1992 4 A 3.9936 8.2190 122.3325 55.6916 18.3399 178.7227 5 M 3.9350 7.7613 113.9358 57.7820 31.8535 176.7771 6 Y 4.7619 7.6362 112.8871 57.2362 40.1631 176.6836 7 R 4.2513 8.2759 116.5412 56.8433 29.9614 175.8819 8 N 5.1254 7.3706 116.3018 52.1137 40.6489 175.0679 9 S 4.7609 8.2518 116.8819 58.3458 63.0750 175.5072 10 S 4.3506 7.8992 115.1824 59.7875 63.8985 174.7440 11 K 4.3793 7.7226 119.7089 54.4121 33.0505 174.4478 12 P 4.4422 0.0000 0.0000 62.2196 31.8549 176.3275 13 A 4.2317 8.4671 123.4794 52.3642 18.8294 176.9290 14 Y 4.8779 8.9441 124.1669 56.1958 39.4630 175.5332 15 T 4.5554 8.0852 112.8320 61.0368 71.5561 174.9736 16 R 4.2321 7.8034 122.0848 56.0217 28.6198 177.1600 17 R 3.9033 8.2983 123.3214 58.2441 30.3367 178.6623 18 E 3.9434 7.8009 114.3486 57.7643 29.7608 176.6279 19 Y 4.8521 7.8166 115.2681 57.4164 39.7051 175.1562 20 I 4.6785 7.4784 120.7864 59.3461 40.3324 174.7895 21 S 4.6947 8.2428 118.0265 57.4569 66.0407 173.1427 22 G 3.8093 8.6873 106.1516 46.6920 0.0000 173.5963 23 I 4.0892 7.7558 120.5648 59.1685 37.8299 174.5238 24 P 4.3163 0.0000 0.0000 62.4064 31.7659 176.6041 25 G 3.7969 8.3281 110.4019 45.1128 0.0000 173.0116 26 K 4.2060 8.2216 120.9237 55.6791 32.8956 177.1467 27 K 4.2006 8.8447 123.2699 57.3928 32.5664 177.1317 28 I 3.9435 7.6259 120.1410 61.0872 36.9342 175.6443 29 A 4.1604 10.3283 130.1035 54.6951 18.4254 177.1956 30 Q 4.8086 7.5223 111.2162 54.7250 33.3426 174.5300 31 F 4.4700 9.0091 116.6083 57.6803 42.0752 175.1137 32 D 5.5821 8.3757 118.0246 52.8870 42.7019 175.7992 33 M 4.8236 9.1530 122.2147 54.2206 36.6173 176.0841 34 G 3.3027 8.8304 106.4075 46.4150 0.0000 176.3907 35 N 4.6111 8.5293 113.3570 52.2318 36.8881 175.2514 36 N 4.6978 8.1405 116.0457 53.6058 38.3773 177.5250 37 G 3.6159 8.0168 108.0932 47.9065 0.0000 174.0952 38 A 4.4364 7.5723 121.8928 50.9551 20.0338 176.7428 39 G 4.0468 8.0780 108.5040 43.2638 0.0000 173.1806 40 P 4.4303 0.0000 0.0000 62.7580 28.5827 176.9344 41 T 4.6082 7.8268 115.0015 61.2510 69.6612 174.7228 42 Y 4.6878 7.9464 118.1273 56.9075 40.4002 174.7197 43 P 4.3805 0.0000 0.0000 65.5113 31.9479 176.6806 44 A 5.5845 8.0902 119.8105 50.2133 21.6078 176.1403 45 Q 4.3999 8.4378 121.1488 54.3839 31.4987 173.5391 46 V 4.8644 8.1403 126.2556 61.5416 34.3680 174.1352 47 E 4.9131 9.9055 124.6846 54.4746 34.4574 174.3587 48 L 4.3001 7.8351 124.7238 53.4061 43.8228 175.2349 49 V 4.6819 8.4491 128.0376 60.8737 33.2747 175.1437 50 V 3.9217 8.3056 128.9322 63.2363 32.3565 175.9292 51 E 4.6766 8.5603 125.4255 56.2196 30.1089 176.1392 52 K 4.5762 7.5576 117.9830 54.1153 36.2390 173.8246 53 P 4.6333 0.0000 0.0000 63.1381 32.0073 175.9730 54 V 4.5924 8.8668 116.6457 60.7042 37.1749 172.7556 55 Q 5.0437 8.7012 119.6377 54.3721 31.7322 175.3282 56 I 4.5094 8.5189 124.3404 59.2216 40.0557 175.6834 57 R 4.4318 8.6064 126.9518 56.0425 30.7663 177.7482 58 H 4.1890 8.9415 117.7979 58.6607 28.1331 177.4957 59 N 4.0770 7.9337 119.0706 56.4375 38.4976 176.8315 60 A 4.0331 7.8553 121.4213 54.9608 18.4749 179.4940 61 L 3.8383 7.7935 117.6109 58.0596 41.6750 179.3926 62 E 3.8987 8.1291 118.9762 59.1197 29.5646 178.7083 63 A 3.9638 8.1417 120.7412 54.9807 18.4048 179.5500 64 A 3.9925 8.5638 119.7853 55.1740 18.4238 179.8318 65 R 3.8239 8.5387 117.6527 59.6094 30.2919 178.5436 66 V 3.5755 7.9954 117.8744 66.3531 31.2936 177.5965 67 A 4.1525 7.8997 118.5708 55.2066 18.1907 179.2422 68 A 4.3286 7.6930 119.9808 54.4456 18.9040 179.3005 69 N 3.8647 8.4410 115.4911 56.8046 38.9483 176.9743 70 R 3.8642 8.2695 119.0062 59.5568 30.1805 177.1506 71 Y 4.2698 7.6809 119.0236 59.5213 38.3705 177.3084 72 V 3.3442 7.3482 116.5688 62.3031 31.8251 176.7088 73 Q 4.4600 7.4889 120.0173 55.7605 27.4816 175.2091 74 N 4.7487 7.2950 112.0540 52.9520 40.8609 174.0390 75 S 4.5040 7.7961 110.0990 58.0513 65.2916 175.0393 76 G 3.9594 8.4365 107.2225 44.9504 0.0000 174.1881 77 A 4.0167 8.5776 123.8668 54.5143 18.3195 178.1761 78 A 4.6302 7.6462 116.9591 51.4661 19.6449 175.7548 79 A 4.1947 8.0845 123.2809 54.1478 18.9824 179.0085 80 N 4.7743 8.2329 118.9027 51.7697 37.7264 173.0059 81 Y 4.7736 6.9911 119.4566 55.5709 41.4682 173.2163 82 K 5.0697 8.4847 119.1314 55.2514 36.0598 174.6371 83 F 5.8281 9.3750 126.7204 56.6525 42.1204 174.2729 84 R 5.1845 9.2496 124.4558 54.5926 34.2803 173.8051 85 I 4.4622 8.3405 124.8768 59.4489 38.3982 175.4344 86 R 4.4959 8.5423 126.3919 56.9680 30.1398 176.6799 87 K 4.7457 7.8184 119.3054 54.8310 34.0870 175.4458 88 F 4.6745 8.4543 120.5579 54.8032 41.6053 174.7473 89 P 5.1210 0.0000 0.0000 62.3009 29.2587 175.5154 90 F 4.5091 8.0762 125.2911 60.4229 40.0385 175.4984 91 H 4.7404 8.2320 120.9751 55.6996 30.2845 174.8318 92 V 4.3588 8.6383 127.6918 62.8195 32.1921 175.2398 93 I 4.6799 8.9438 120.9857 59.3472 40.5414 175.0636 94 R 5.2588 8.3375 123.2383 54.3394 33.4475 174.6107 95 E 4.5412 8.1848 118.4010 55.6278 33.1243 174.5650 96 N 4.9111 8.7511 127.0690 52.2755 37.8445 174.0232 97 K 4.4633 7.5824 123.9349 54.5458 31.8825 175.8168 *109 D 4.4690 7.7597 121.3040 54.7752 43.9133 172.0397 110 G 4.2307 8.9895 115.1067 46.3816 0.0000 172.9582 111 M 4.4195 9.1376 117.1584 54.7790 33.2374 175.6927 112 R 4.0670 7.9613 119.5761 56.8321 31.5549 176.2153 113 A 3.8032 8.5230 127.3884 52.8364 15.7617 174.8491 114 P 4.9895 0.0000 0.0000 61.7253 32.6147 176.7124 115 F 3.9565 8.2372 122.2796 58.4299 39.2536 174.7739 116 G 3.9804 8.0860 116.1398 46.1660 0.0000 171.5176 117 K 4.8853 8.3464 118.1255 53.9560 35.4505 174.2133 118 P 4.6750 0.0000 0.0000 63.9200 31.1583 176.3350 119 V 4.3081 8.5981 116.2969 60.9328 34.3526 175.4403 120 G 4.0702 7.2228 105.0917 46.4700 0.0000 172.0385 121 T 5.3087 7.7655 107.7754 60.2751 72.7470 172.5736 122 A 5.1350 9.0313 123.0464 50.7052 23.7934 174.5397 123 A 4.9283 8.9640 120.9583 50.1838 21.5942 176.1055 124 R 4.6155 8.7705 122.4670 55.7524 30.9838 176.1499 125 V 4.4349 8.6370 124.7241 61.3105 34.3634 174.6054 126 H 4.7492 9.0014 124.5704 54.1382 30.0489 174.9069 127 G 3.8510 8.5002 110.8784 47.7711 0.0000 173.5366 128 A 3.9009 9.6748 127.8667 51.5811 17.9642 177.8899 129 N 4.7921 8.0111 113.7360 52.9047 40.4106 173.6911 130 H 5.0798 8.1865 116.4952 54.3238 29.7938 174.4455 131 I 3.8495 8.5045 123.9853 62.2929 39.3561 175.2903 132 F 5.2968 7.5865 118.9932 55.6158 43.1056 174.6603 133 I 5.0017 8.8750 122.2445 60.1036 40.8668 174.0596 134 A 5.4644 9.3952 128.7750 49.9039 22.9050 174.8272 135 W 5.2734 9.1284 119.0306 54.8655 32.6917 175.2825 136 V 4.9221 8.7350 123.2308 60.2623 35.0477 174.2709 137 N 5.1030 8.8261 118.2491 51.2711 40.7737 171.0501 138 P 4.5901 0.0000 0.0000 62.1662 31.5175 176.7007 139 D 4.6463 9.1839 124.7593 52.5150 42.3840 176.5464 140 P 4.4465 0.0000 0.0000 62.7907 29.7008 176.6741 141 N 4.7384 7.9248 119.4161 53.4857 39.8688 176.6962 142 V 3.0837 7.2665 120.8229 64.5647 31.1406 177.9734 143 E 3.8998 7.8295 117.8392 59.0285 29.4172 178.3054 144 E 4.0189 7.8663 118.5128 58.5670 29.7211 178.0966 145 A 3.9149 7.7901 120.5547 53.9304 18.3285 178.7497 146 W 4.8432 7.7330 116.1716 58.0084 29.7359 178.5166 147 R 3.9907 7.5464 118.3951 59.1076 29.2515 178.1250 148 R 4.1248 7.8721 117.0717 58.1966 30.3250 178.5846 149 A 4.1222 7.8387 120.6793 54.8808 18.3632 178.9054 150 K 4.1583 7.8093 113.0295 57.6539 32.5513 177.3895 151 M 4.2280 7.5746 119.1287 56.9263 32.4984 176.8725 152 K 4.6342 7.9788 116.5330 55.8638 32.7623 175.9673 153 V 4.5384 7.4699 110.9580 59.5065 35.0714 175.5985 154 T 4.0071 8.8807 120.8138 66.3477 68.3699 173.1931 155 P 4.4922 0.0000 0.0000 62.6322 32.4974 175.7512 156 T 4.3451 8.1149 115.4467 63.6138 69.8496 173.7803 157 I 5.1483 8.1520 123.5024 59.6379 41.9505 173.8884 158 N 4.8986 9.0265 122.0179 52.0448 41.5088 173.3744 159 I 4.6841 8.5365 127.3989 60.3358 37.7135 173.9511 160 D 4.9175 8.8560 127.7527 52.4505 43.2309 174.7475 161 S 4.7324 8.7140 120.4040 58.6919 63.7740 170.9731 162 S 4.3574 9.3469 122.6378 58.7274 64.2038 173.8714 163 P 4.3660 0.0000 0.0000 63.8627 32.3309 175.7186 164 A 4.5485 8.0031 124.6436 52.1716 20.0743 175.6493 165 G 4.0882 8.2869 109.0802 45.2621 0.0000 172.6466 166 N 4.7137 7.9868 116.1292 51.5257 37.5919 175.1286 167 A 4.3182 7.5910 124.2313 52.2500 19.2935 177.2866 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 K 8.31 4.35 0.00 1.91 1.92 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.35 0.00 2.26 1.97 0.00 3.63 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 2.11 2.15 0.00 3 G 9.07 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.22 3.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 M 7.76 3.94 0.00 1.13 1.92 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 6 Y 7.64 4.76 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.28 4.25 0.00 2.02 2.30 0.00 3.02 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 8 N 7.37 5.13 0.00 2.56 2.75 0.00 0.00 6.89 7.45 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 9 S 8.25 4.76 0.00 3.82 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 10 S 7.90 4.35 0.00 3.97 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 11 K 7.72 4.38 0.00 1.84 1.81 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 12 P 0.00 4.44 0.00 2.12 2.05 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 13 A 8.47 4.23 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 14 Y 8.94 4.88 0.00 2.94 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 15 T 8.09 4.56 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 1.40 0.00 0.00 16 R 7.80 4.23 0.00 2.11 2.26 0.00 3.32 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 17 R 8.30 3.90 0.00 1.80 1.93 0.00 3.12 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 18 E 7.80 3.94 0.00 1.45 1.75 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 1.48 1.47 0.00 19 Y 7.82 4.85 0.00 2.93 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 4.68 1.74 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.87 0.00 0.00 21 S 8.24 4.69 0.00 3.92 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 22 G 8.69 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.76 4.09 1.86 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 1.40 0.59 0.89 0.00 0.00 24 P 0.00 4.32 0.00 2.00 1.99 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 25 G 8.33 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 26 K 8.22 4.21 0.00 1.72 1.76 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.59 1.51 7.81 27 K 8.84 4.20 0.00 1.74 1.82 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.49 7.81 28 I 7.63 3.94 1.83 0.00 0.00 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 1.18 0.42 0.12 0.00 0.00 29 A 10.33 4.16 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 30 Q 7.52 4.81 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 31 F 9.01 4.47 0.00 3.08 3.13 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 32 D 8.38 5.58 0.00 2.67 2.70 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 33 M 9.15 4.82 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.75 0.00 34 G 8.83 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.53 4.61 0.00 2.75 2.80 0.00 0.00 7.19 6.96 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 36 N 8.14 4.70 0.00 2.86 2.99 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.02 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 0.00 0.00 0.00 38 A 7.57 4.44 1.26 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 39 G 8.08 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 40 P 0.00 4.43 0.00 1.61 0.65 0.00 3.41 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.12 0.00 41 T 7.83 4.61 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 1.15 0.00 0.00 42 Y 7.95 4.69 0.00 3.18 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.38 0.00 2.13 2.17 0.00 4.05 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 44 A 8.09 5.58 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 45 Q 8.44 4.40 0.00 2.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.07 1.36 0.00 46 V 8.14 4.86 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 1.36 0.00 0.00 0.90 0.00 0.00 47 E 9.91 4.91 0.00 1.70 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 2.06 2.32 0.00 48 L 7.84 4.30 0.00 0.27 1.01 0.73 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.45 4.68 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 1.03 0.00 0.00 0.89 0.00 0.00 50 V 8.31 3.92 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 0.88 0.00 0.00 0.85 0.00 0.00 51 E 8.56 4.68 0.00 2.06 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 2.26 2.25 0.00 52 K 7.56 4.58 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.44 7.81 53 P 0.00 4.63 0.00 1.83 1.68 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 54 V 8.87 4.59 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 0.95 0.00 0.00 55 Q 8.70 5.04 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 56 I 8.52 4.51 1.82 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 1.20 0.65 0.86 0.00 0.00 57 R 8.61 4.43 0.00 1.84 1.81 0.00 2.87 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 58 H 8.94 4.19 0.00 3.33 3.51 0.00 5.27 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.93 4.08 0.00 2.72 2.82 0.00 0.00 7.04 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 60 A 7.86 4.03 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 61 L 7.79 3.84 0.00 1.78 1.56 0.74 0.78 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 62 E 8.13 3.90 0.00 2.04 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 2.35 2.35 0.00 63 A 8.14 3.96 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 64 A 8.56 3.99 1.63 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 0.00 0.00 65 R 8.54 3.82 0.00 2.22 2.00 0.00 3.22 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 66 V 8.00 3.58 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 0.82 0.00 0.00 1.03 0.00 0.00 67 A 7.90 4.15 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 68 A 7.69 4.33 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 3.86 0.00 2.96 2.89 0.00 0.00 6.94 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 70 R 8.27 3.86 0.00 1.86 2.05 0.00 3.33 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 71 Y 7.68 4.27 0.00 3.06 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 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6.79 7.54 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 81 Y 6.99 4.77 0.00 3.12 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 82 K 8.48 5.07 0.00 2.00 1.94 0.00 1.43 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.06 1.63 7.81 83 F 9.38 5.83 0.00 3.32 3.18 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 84 R 9.25 5.18 0.00 2.00 1.98 0.00 3.39 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 85 I 8.34 4.46 1.63 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.03 0.52 0.00 0.00 86 R 8.54 4.50 0.00 1.97 2.15 0.00 3.19 0.00 0.00 3.44 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 87 K 7.82 4.75 0.00 1.63 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.30 7.81 88 F 8.45 4.67 0.00 2.14 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 0.00 0.00 0.00 0.00 89 P 0.00 5.12 0.00 2.12 2.05 0.00 3.31 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 90 F 8.08 4.51 0.00 3.15 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 91 H 8.23 4.74 0.00 3.36 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.64 4.36 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 0.91 0.00 0.00 0.87 0.00 0.00 93 I 8.94 4.68 1.83 0.00 0.00 0.51 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 0.49 1.05 0.00 0.00 94 R 8.34 5.26 0.00 1.52 1.80 0.00 2.39 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.17 0.00 95 E 8.18 4.54 0.00 2.19 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 0.00 2.40 2.34 0.00 96 N 8.75 4.91 0.00 2.94 2.67 0.00 0.00 6.89 6.02 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 97 K 7.58 4.46 0.00 1.91 1.84 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *109 D 7.76 4.47 0.00 2.70 2.67 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 0.00 110 G 8.99 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 0.00 0.00 0.00 0.00 111 M 9.14 4.42 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 112 R 7.96 4.07 0.00 1.77 1.83 0.00 3.39 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 113 A 8.52 3.80 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 0.00 114 P 0.00 4.99 0.00 2.20 2.28 0.00 3.44 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 115 F 8.24 3.96 0.00 2.97 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 0.00 116 G 8.09 3.98 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 125 V 8.64 4.43 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 1.02 0.00 0.00 0.88 0.00 0.00 126 H 9.00 4.75 0.00 3.29 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.50 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 0.00 128 A 9.67 3.90 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 0.00 129 N 8.01 4.79 0.00 2.67 2.66 0.00 0.00 6.55 8.27 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 0.00 130 H 8.19 5.08 0.00 3.15 3.18 0.00 5.52 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.50 3.85 1.64 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.99 0.66 0.00 0.00 132 F 7.59 5.30 0.00 2.34 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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141 N 7.92 4.74 0.00 2.52 2.68 0.00 0.00 6.76 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.27 3.08 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 0.49 0.00 0.00 -0.30 0.00 0.00 143 E 7.83 3.90 0.00 1.88 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 2.35 2.37 0.00 144 E 7.87 4.02 0.00 2.01 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 0.00 2.13 1.77 0.00 145 A 7.79 3.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 7.73 4.84 0.00 3.48 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 0.00 147 R 7.55 3.99 0.00 1.74 2.03 0.00 3.21 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 148 R 7.87 4.12 0.00 1.79 1.87 0.00 2.81 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 149 A 7.84 4.12 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 0.00 150 K 7.81 4.16 0.00 1.89 1.92 0.00 1.69 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.52 7.81 151 M 7.57 4.23 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 152 K 7.98 4.63 0.00 1.79 1.77 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 153 V 7.47 4.54 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 0.76 0.00 0.00 0.94 0.00 0.00 154 T 8.88 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 1.21 0.00 0.00 155 P 0.00 4.49 0.00 2.15 2.03 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 156 T 8.11 4.35 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 1.24 0.00 0.00 157 I 8.15 5.15 1.85 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 1.19 0.76 0.84 0.00 0.00 158 N 9.03 4.90 0.00 2.85 2.61 0.00 0.00 7.55 7.99 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 0.00 159 I 8.54 4.68 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 1.15 0.00 0.00 160 D 8.86 4.92 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 S 8.71 4.73 0.00 3.95 3.76 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 0.00 162 S 9.35 4.36 0.00 3.97 3.66 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 0.00 0.00 0.00 0.00 163 P 0.00 4.37 0.00 2.32 2.13 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 164 A 8.00 4.55 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.29 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 N 7.99 4.71 0.00 2.74 2.81 0.00 0.00 6.99 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 0.00 167 A 7.59 4.32 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 * Residues marked with a * may have inaccurate shift predictions.