NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2377 8.1749 117.3434 63.5266 69.8983 172.7558 6 Y 4.7755 8.5329 123.6928 56.1007 39.5214 171.9995 7 E 4.6405 9.0066 123.6354 54.6758 33.1441 174.7256 8 I 3.9080 7.7971 120.1439 58.9287 38.6190 175.0631 9 S 4.5064 9.4949 124.3358 57.6928 63.9038 176.0122 10 S 4.2494 8.7574 117.6115 61.6954 63.5033 176.4754 11 A 4.1598 8.1755 122.6348 55.0576 18.1378 178.8814 12 E 3.6668 8.1531 117.1399 59.7260 29.3427 179.6996 13 W 3.8657 8.1633 116.7336 60.0620 29.2582 177.3586 14 E 4.2024 8.6599 118.0984 59.4244 29.3690 178.6539 15 V 3.9282 8.6888 118.0685 63.5957 31.1072 177.0387 *17 N 4.9887 8.0917 117.1469 53.1806 40.3815 175.9749 18 I 3.9323 7.3202 117.7634 64.4750 37.6803 177.7650 19 I 3.9204 7.7973 121.1154 64.3812 37.0267 180.9707 20 W 4.7770 7.5028 120.3485 56.4244 27.8530 177.1617 *22 K 4.2369 8.0687 115.1376 55.0943 33.4724 177.2407 23 K 4.0960 8.3133 121.6391 57.9758 31.6403 173.9490 24 Y 5.2342 7.7563 117.0605 56.2572 40.6607 174.0129 25 A 4.8234 8.7013 125.7489 51.0068 23.3787 175.5135 26 S 4.6532 8.5485 114.5730 56.6663 65.3111 173.6541 27 A 3.9998 8.7605 120.1930 56.7343 17.7184 179.6803 28 N 4.3013 7.9794 111.9525 56.0136 38.8387 176.9021 29 N 4.1934 8.7510 118.1798 57.2538 39.1890 176.4211 30 I 3.9440 7.9217 121.2723 63.6993 37.3297 177.9171 31 I 3.7340 7.5960 119.5097 64.9470 36.8968 177.7034 32 E 3.9749 8.4889 119.1595 59.9426 29.2332 179.1039 33 E 4.2526 8.0459 115.0969 57.8963 29.7422 178.0914 34 I 4.3547 7.3773 120.2466 61.9189 39.8591 176.2164 35 Q 4.8995 8.3353 119.3753 54.7731 27.0166 176.2534 *37 Q 4.1874 7.6494 116.8015 55.4855 31.0935 173.7242 38 K 4.2672 7.9139 115.5339 55.7935 36.5014 174.8520 39 D 4.8505 7.2490 118.1279 51.8251 40.6757 173.7022 40 W 5.2339 7.7074 121.3856 54.0149 33.6553 174.9427 41 S 4.5257 8.4675 113.6132 57.1729 62.4460 173.0383 42 P 4.5162 0.0000 0.0000 64.1947 31.3225 177.8171 43 K 4.4689 7.8159 117.6894 57.7439 33.8588 178.9464 44 T 3.8286 7.9013 114.8083 66.6673 68.6034 176.2581 45 I 3.6893 7.9809 121.7501 64.2312 37.0913 178.1759 46 R 3.8347 7.5539 119.4577 60.2347 29.8762 178.5866 47 T 3.7980 7.6737 115.1811 66.4916 68.4026 176.5043 48 L 3.7997 7.8698 121.0803 57.8631 41.6228 179.5601 49 I 3.4696 7.5831 118.9000 64.6827 37.1293 177.9431 50 T 3.7867 7.9170 116.4977 67.3324 68.3379 175.9869 51 R 3.7561 8.5036 119.3525 59.7613 30.1294 178.7034 52 L 3.8497 8.0180 118.0965 58.2568 41.5487 179.3345 53 Y 3.9739 8.2693 119.3741 60.7253 38.5711 178.3861 54 K 3.6864 8.1600 118.2422 59.2867 32.2332 179.1763 55 K 3.4654 8.1316 118.1649 57.2043 32.4075 177.4586 56 G 3.6578 7.7491 106.2506 45.9523 0.0000 173.8215 57 F 4.4952 8.6461 118.8528 57.5293 41.2992 176.5944 58 I 5.0050 7.5049 109.9220 59.2575 41.1985 173.4913 59 D 5.0935 8.6482 121.0903 52.9200 45.2882 174.3319 60 R 4.8511 8.4595 118.6926 54.5132 32.4464 175.3445 61 K 3.7794 7.2498 113.8981 55.7920 34.7923 174.3439 62 K 4.7711 8.6345 130.3472 56.5331 30.3492 176.0839 63 D 4.4546 8.4474 123.0062 56.2872 43.0476 176.3971 64 N 4.3815 8.4693 115.1482 53.7673 37.5760 174.6124 65 K 4.5746 5.6600 116.9630 55.4358 34.1823 174.3265 66 I 4.6453 7.1729 110.7021 59.3555 41.0188 174.9051 67 F 4.6365 8.5983 122.2640 57.9293 39.7209 174.8891 68 Q 4.3344 8.8675 121.3222 54.1864 31.4694 174.4812 69 Y 5.1654 9.0400 123.8066 57.9711 39.4646 174.6023 70 Y 5.5900 9.5630 120.4447 53.8217 42.0775 174.6031 71 S 4.4880 9.0152 115.3349 58.8075 62.8086 173.6051 72 L 4.5928 8.8873 124.7385 54.6115 43.3465 176.9596 73 V 4.4210 7.3964 110.9934 59.0425 33.8123 174.8882 74 E 4.1370 8.5923 122.8940 55.3487 29.9987 175.7172 75 E 2.5400 8.2941 123.7839 59.3216 29.9215 178.7157 76 S 3.8847 8.4025 112.5603 62.1229 63.0845 176.6469 77 D 4.4769 7.8869 120.9189 56.2283 40.4707 177.9151 78 I 4.0276 8.4015 119.5273 62.6345 38.7821 177.6800 79 K 4.1903 7.9786 119.0464 59.4530 31.9246 178.1511 80 Y 4.2461 8.0857 119.8505 60.9011 38.7944 178.1822 81 K 3.5690 7.6905 119.8500 59.8354 32.2161 178.9247 82 T 4.0058 8.6513 116.1700 66.7936 68.3620 176.7903 83 S 4.2765 8.2161 117.0824 61.6152 62.8349 176.7667 84 K 3.8971 7.8856 121.0103 59.6746 31.5992 178.3108 85 N 4.1990 7.6886 114.9301 57.0800 39.1245 175.9166 86 F 4.4387 8.5927 121.5774 61.6122 39.4626 176.8953 87 I 3.0917 8.5091 119.7977 64.7419 36.8573 178.1770 88 N 4.4596 7.9210 115.2257 55.6622 38.3393 177.3067 89 K 4.1800 7.9157 120.1479 59.6852 33.0095 177.5474 90 V 3.7061 7.8287 118.5436 64.1979 31.6397 175.1812 91 Y 4.0125 7.4564 117.1533 57.8120 38.8387 176.5250 92 K 4.0034 9.0221 125.2222 59.2573 33.0640 178.3957 93 G 3.8054 7.8503 108.8688 47.0916 0.0000 172.5260 94 G 3.6646 7.8439 104.7946 46.1639 0.0000 171.4636 95 F 4.1262 8.7840 121.0315 62.5619 39.1447 177.3346 96 N 3.8290 8.5378 113.6242 56.8428 38.1052 176.5090 97 S 4.1197 8.1968 118.3489 61.1452 62.8790 176.5226 98 L 3.8834 7.8769 123.2447 57.9198 41.8589 178.3473 99 V 3.1204 6.9816 117.5163 66.0129 31.1917 177.5759 100 L 3.9223 7.7852 119.5521 57.8043 41.4071 178.0191 101 N 4.5743 9.2051 117.5108 55.5051 38.9344 176.6080 102 F 4.3002 8.5143 119.6994 60.1656 39.1587 178.0722 103 V 3.6222 7.8005 117.6260 65.9626 31.2785 177.3539 104 E 4.0003 7.7844 118.0489 58.6309 29.5073 177.8549 105 K 4.3390 7.1846 116.7217 59.5286 34.5884 177.5384 106 E 3.6844 8.0535 115.8967 57.9439 26.6330 175.6825 107 D 4.7278 8.2958 117.7035 54.0056 41.6268 175.3336 108 L 4.8372 7.6270 116.2618 51.7838 45.3238 176.5507 109 S 4.7279 8.3555 117.8068 56.9602 65.6503 175.1341 110 Q 4.0425 8.7073 124.3375 59.4660 27.0414 178.8680 111 D 4.3710 8.0616 119.5850 57.3246 40.8281 178.0341 112 E 4.4218 7.7462 117.2607 58.8206 29.5992 178.8249 113 I 3.7145 8.0065 119.5766 64.5242 37.4566 177.4793 114 E 3.9879 8.0400 119.5696 58.8647 28.9542 178.2097 115 E 3.8622 7.7918 118.2712 59.5164 29.6860 178.9447 116 L 3.9835 7.6344 118.8124 58.2481 41.6959 179.4329 117 R 4.2436 7.8553 117.0301 59.7752 29.9969 178.4796 118 N 4.5472 7.6638 111.1198 54.7151 38.5785 176.1178 119 I 4.3826 8.7039 122.6067 61.3009 38.3793 176.4051 120 L 4.6132 7.7943 119.2385 54.3509 41.6340 176.4321 121 N 4.5206 7.7781 122.7376 53.7790 39.7620 174.3295 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 5 T 8.17 4.24 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 6 Y 8.53 4.78 0.00 3.14 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 7 E 9.01 4.64 0.00 1.99 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 2.31 2.34 0.00 8 I 7.80 3.91 0.73 0.00 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.05 0.43 0.00 0.00 9 S 9.49 4.51 0.00 3.99 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 10 S 8.76 4.25 0.00 4.10 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 11 A 8.18 4.16 1.06 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 12 E 8.15 3.67 0.00 1.85 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 0.00 2.10 2.17 0.00 13 W 8.16 3.87 0.00 3.51 3.42 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 14 E 8.66 4.20 0.00 2.47 2.25 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 2.57 2.73 0.00 15 V 8.69 3.93 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 0.78 0.00 0.00 0.86 0.00 0.00 *17 N 8.09 4.99 0.00 3.03 3.07 0.00 0.00 7.11 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 18 I 7.32 3.93 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.95 0.00 0.00 19 I 7.80 3.92 1.54 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 1.29 1.09 0.90 0.00 0.00 20 W 7.50 4.78 0.00 3.49 3.22 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 *22 K 8.07 4.24 0.00 2.00 1.97 0.00 1.96 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.71 7.81 23 K 8.31 4.10 0.00 2.05 2.02 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.57 7.81 24 Y 7.76 5.23 0.00 2.95 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 25 A 8.70 4.82 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 26 S 8.55 4.65 0.00 3.82 3.93 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 27 A 8.76 4.00 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 28 N 7.98 4.30 0.00 2.74 2.88 0.00 0.00 6.48 6.92 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 29 N 8.75 4.19 0.00 2.67 3.04 0.00 0.00 7.30 7.24 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 30 I 7.92 3.94 2.15 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.29 0.96 0.00 0.00 31 I 7.60 3.73 2.01 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 1.58 0.73 0.98 0.00 0.00 32 E 8.49 3.97 0.00 2.17 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 2.39 0.00 33 E 8.05 4.25 0.00 2.13 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 2.37 2.53 0.00 34 I 7.38 4.35 1.97 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 1.61 0.86 1.06 0.00 0.00 35 Q 8.34 4.90 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 *37 Q 7.65 4.19 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 38 K 7.91 4.27 0.00 1.49 0.74 0.00 0.61 0.00 0.00 1.08 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.03 0.81 7.81 39 D 7.25 4.85 0.00 2.41 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 0.00 0.00 0.00 40 W 7.71 5.23 0.00 3.43 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 41 S 8.47 4.53 0.00 3.91 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 42 P 0.00 4.52 0.00 2.23 2.10 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 43 K 7.82 4.47 0.00 1.73 1.81 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.52 7.81 44 T 7.90 3.83 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 0.89 0.00 0.00 45 I 7.98 3.69 1.91 0.00 0.00 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 1.63 0.96 0.95 0.00 0.00 46 R 7.55 3.83 0.00 2.14 1.95 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 47 T 7.67 3.80 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 1.13 0.00 0.00 48 L 7.87 3.80 0.00 1.68 1.53 0.44 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.58 3.47 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.62 0.37 0.00 0.00 50 T 7.92 3.79 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 1.23 0.00 0.00 51 R 8.50 3.76 0.00 1.74 1.83 0.00 3.23 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 52 L 8.02 3.85 0.00 1.76 1.62 0.60 0.26 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 53 Y 8.27 3.97 0.00 2.77 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 54 K 8.16 3.69 0.00 1.67 1.71 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.66 7.81 55 K 8.13 3.47 0.00 1.92 1.96 0.00 1.50 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.84 1.38 7.81 56 G 7.75 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 0.00 0.00 0.00 57 F 8.65 4.50 0.00 2.86 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 58 I 7.50 5.00 1.87 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 1.13 0.55 0.77 0.00 0.00 59 D 8.65 5.09 0.00 2.38 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 0.00 0.00 0.00 60 R 8.46 4.85 0.00 0.87 2.04 0.00 2.76 0.00 0.00 2.84 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.02 0.00 61 K 7.25 3.78 0.00 1.55 1.46 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.15 1.09 7.81 62 K 8.63 4.77 0.00 1.90 1.79 0.00 1.89 0.00 0.00 2.05 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.56 7.81 63 D 8.45 4.45 0.00 2.60 2.61 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 0.00 0.00 0.00 0.00 64 N 8.47 4.38 0.00 2.71 2.51 0.00 0.00 6.65 6.68 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 65 K 5.66 4.57 0.00 1.62 1.70 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.34 7.81 66 I 7.17 4.65 1.78 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 1.30 0.74 0.84 0.00 0.00 67 F 8.60 4.64 0.00 2.44 2.33 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 68 Q 8.87 4.33 0.00 1.44 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 69 Y 9.04 5.17 0.00 2.94 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 70 Y 9.56 5.59 0.00 3.15 3.09 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 71 S 9.02 4.49 0.00 4.13 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 72 L 8.89 4.59 0.00 1.50 1.55 0.75 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.40 4.42 2.25 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 0.62 0.00 0.00 1.40 0.00 0.00 74 E 8.59 4.14 0.00 1.98 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 2.37 2.23 0.00 75 E 8.29 2.54 0.00 1.16 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 1.62 1.47 0.00 76 S 8.40 3.88 0.00 4.00 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 77 D 7.89 4.48 0.00 2.83 2.80 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 78 I 8.40 4.03 2.14 0.00 0.00 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 1.78 1.08 1.29 0.00 0.00 79 K 7.98 4.19 0.00 1.85 1.85 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.55 7.81 80 Y 8.09 4.25 0.00 2.94 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 81 K 7.69 3.57 0.00 1.67 2.03 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.44 7.81 82 T 8.65 4.01 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 1.39 0.00 0.00 83 S 8.22 4.28 0.00 4.05 4.02 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 84 K 7.89 3.90 0.00 1.81 1.69 0.00 1.59 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.03 0.75 7.81 85 N 7.69 4.20 0.00 2.77 3.13 0.00 0.00 7.25 6.48 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 86 F 8.59 4.44 0.00 3.10 3.22 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 87 I 8.51 3.09 1.98 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 1.37 0.05 0.81 0.00 0.00 88 N 7.92 4.46 0.00 2.80 2.88 0.00 0.00 7.18 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 89 K 7.92 4.18 0.00 1.98 2.01 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.50 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.85 1.56 7.81 90 V 7.83 3.71 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 0.76 0.00 0.00 1.19 0.00 0.00 91 Y 7.46 4.01 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.02 4.00 0.00 1.74 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.37 7.81 93 G 7.85 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 94 G 7.84 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 0.00 0.00 0.00 95 F 8.78 4.13 0.00 3.03 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 96 N 8.54 3.83 0.00 2.85 2.76 0.00 0.00 6.56 7.62 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 97 S 8.20 4.12 0.00 3.97 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 98 L 7.88 3.88 0.00 0.81 1.25 0.37 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 99 V 6.98 3.12 1.76 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 0.89 0.00 0.00 0.07 0.00 0.00 100 L 7.79 3.92 0.00 1.78 1.65 0.92 0.60 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 0.00 101 N 9.21 4.57 0.00 3.09 3.27 0.00 0.00 7.04 7.59 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 0.00 102 F 8.51 4.30 0.00 3.10 3.09 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 0.00 103 V 7.80 3.62 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 1.12 0.00 0.00 1.02 0.00 0.00 104 E 7.78 4.00 0.00 2.12 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 2.34 2.42 0.00 105 K 7.18 4.34 0.00 1.52 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.60 7.81 106 E 8.05 3.68 0.00 1.99 2.34 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 2.29 2.25 0.00 107 D 8.30 4.73 0.00 2.40 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 0.00 0.00 0.00 108 L 7.63 4.84 0.00 1.65 1.54 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.36 4.73 0.00 4.04 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 0.00 110 Q 8.71 4.04 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 111 D 8.06 4.37 0.00 2.77 2.71 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 0.00 112 E 7.75 4.42 0.00 2.09 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 2.32 2.35 0.00 113 I 8.01 3.71 1.88 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 1.43 0.66 0.92 0.00 0.00 114 E 8.04 3.99 0.00 2.30 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 2.31 2.37 0.00 115 E 7.79 3.86 0.00 2.13 2.13 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 2.33 2.41 0.00 116 L 7.63 3.98 0.00 1.80 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.86 4.24 0.00 2.04 2.01 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 118 N 7.66 4.55 0.00 2.86 2.87 0.00 0.00 7.04 7.33 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 0.00 119 I 8.70 4.38 1.95 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 1.73 1.04 0.91 0.00 0.00 120 L 7.79 4.61 0.00 1.71 1.68 0.94 0.84 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 0.00 121 N 7.78 4.52 0.00 2.62 2.64 0.00 0.00 6.70 7.46 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 * Residues marked with a * may have inaccurate shift predictions.