NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4562 8.3044 120.3339 54.7621 34.1641 175.3250 2 K 4.1685 7.8419 118.5336 52.9365 33.4419 174.4105 3 F 5.0558 8.2420 120.5546 55.1851 41.9272 173.0642 4 F 4.7863 8.9364 119.6436 55.5107 42.2498 174.5398 5 L 4.8141 8.2647 122.5202 53.6983 42.1530 176.6885 6 K 4.1618 8.6382 121.1596 56.5887 32.6395 176.9857 7 D 4.5598 8.9063 123.5047 56.4455 39.7117 179.1464 8 G 3.9771 7.9504 109.7602 45.2484 0.0000 173.3631 9 E 4.4568 8.2657 119.6332 57.4925 32.3628 177.5556 10 T 4.0139 8.1787 114.8789 66.9613 68.5425 176.7261 11 S 4.1120 7.9905 116.5219 61.4732 62.8853 176.2725 12 R 3.7988 8.0619 120.7523 59.2611 29.5575 177.6867 13 A 4.1027 7.6754 119.4930 53.2921 18.9490 179.2904 14 L 3.8334 7.6867 119.6823 58.3094 42.0479 178.9694 15 S 4.2638 8.1178 113.2087 60.3482 62.8533 176.1729 16 R 3.8760 7.5928 121.9740 59.0658 29.6972 178.1825 17 S 4.3312 7.8801 113.7595 60.7539 63.5422 176.0535 18 E 3.9405 8.3100 122.6154 59.2958 29.3358 179.0444 19 S 4.4354 7.7999 112.3750 59.4563 63.5013 176.1404 20 L 3.8655 7.4248 123.7374 58.1425 41.9904 178.0865 21 L 3.9184 8.0341 120.3955 58.4783 41.7163 178.8536 22 R 3.8375 7.4758 115.7972 59.7052 30.2714 178.7333 23 R 3.9664 7.8088 117.8547 59.2328 30.0052 178.6935 24 V 3.5537 7.9313 118.3714 65.6403 31.3235 178.0992 25 K 3.3037 7.3040 116.6969 58.8329 31.7898 178.6052 26 E 4.0664 7.4462 118.1943 57.6745 29.7690 177.4618 27 L 4.1255 6.9995 118.5864 54.9711 42.4167 176.1652 28 G 4.0916 8.2295 109.3104 45.1511 0.0000 173.7604 29 T 4.4763 8.2428 109.8198 58.6039 66.5150 174.4068 30 N 5.3411 7.5664 135.0000 54.2825 37.9866 175.9787 31 S 4.2522 7.5163 116.1618 58.5363 63.7498 174.3959 32 Q 4.2317 8.4026 123.1085 55.6074 29.4067 177.2818 33 Q 4.0163 8.7126 119.3258 59.1343 29.1029 179.3757 34 S 4.0314 8.2295 111.5493 61.3574 62.5490 175.2527 35 E 3.9511 7.8633 122.0435 56.5224 28.9542 179.4669 36 I 3.4833 7.2588 118.5908 64.0720 38.2846 177.8016 37 S 4.1586 8.4610 116.1054 61.2301 62.8953 176.1782 38 E 4.3625 8.4400 122.5938 58.3513 29.6451 178.3554 39 C 4.0642 8.1493 119.4480 62.3538 31.3765 175.6889 40 V 3.6599 7.8198 119.7089 66.1429 30.9206 177.3283 41 D 4.5794 7.9121 118.3857 57.7829 40.7285 178.6394 42 E 3.9787 8.3111 119.1116 59.5459 29.5544 178.3482 43 F 4.0622 8.2396 119.8775 61.6082 39.3740 176.8174 44 N 4.3243 9.1834 116.9337 56.6954 38.7755 176.4683 45 E 3.9527 8.2387 119.8696 59.6721 29.5582 179.1707 46 L 3.9586 7.8259 118.4717 57.9331 41.4492 179.5237 47 A 3.7622 7.6233 119.6689 55.4483 18.5301 179.3808 48 S 4.1120 8.0615 113.4767 61.6160 62.8898 176.3645 49 F 3.9054 8.7326 123.3523 61.7405 39.1720 176.8391 50 N 4.3747 8.6636 116.5694 57.3135 38.7599 176.1610 51 H 4.2199 8.3453 119.3807 59.2045 29.8730 177.0361 52 L 4.0001 7.6890 120.4530 57.4165 41.4833 178.5783 53 L 3.7043 7.7694 120.4725 58.4168 41.9126 179.2681 54 V 3.5678 8.1811 118.2246 66.4739 31.4700 178.1265 55 T 3.8434 7.7225 109.0585 64.5585 68.5014 176.3143 56 V 3.2182 8.0863 121.4665 65.8884 31.4546 177.7324 57 E 4.0712 8.2943 118.1431 59.7695 29.1313 178.9076 58 H 4.2152 8.3514 117.2277 59.2564 29.8930 176.9352 59 R 3.9830 8.4279 120.7593 59.6172 29.9870 178.1483 60 E 3.9458 8.7608 118.7114 59.1528 29.1983 179.0760 61 W 4.3592 8.3739 127.7605 61.0781 30.8592 177.6964 62 M 3.4940 7.3943 116.2180 56.9798 32.6579 177.1377 63 E 4.5539 7.4594 120.6086 55.2686 29.3912 174.8001 64 Q 4.5028 6.7428 125.1161 55.8939 29.6912 177.6700 *77 R 4.3688 8.7721 127.3690 57.3751 31.7598 176.9656 78 I 3.8318 7.9497 118.3270 64.4873 37.1684 178.4081 79 G 3.6616 8.1637 105.8603 47.8130 0.0000 175.2191 80 E 4.0596 8.1262 120.2742 59.7592 29.4484 179.2335 81 M 4.2387 7.8591 118.7188 58.1829 31.9962 178.8046 82 L 4.1443 8.2593 119.5793 57.6790 41.9562 179.0721 83 K 3.9052 8.6260 119.9975 59.8883 31.9880 178.4822 84 E 3.9835 7.9659 117.0065 59.5469 29.4186 179.0621 85 I 3.8817 8.1161 120.0542 64.7162 37.1781 177.8919 86 R 3.7000 8.6494 119.3359 59.7924 29.5935 177.9005 87 A 3.8505 7.6861 118.5830 55.4651 18.1793 179.4374 88 F 4.2031 8.1943 115.9166 60.6344 39.0917 177.8658 89 L 3.8635 8.4992 120.4398 57.8103 41.5346 178.6578 90 K 3.9318 8.7378 120.4013 59.7724 31.9599 178.0106 91 V 3.5516 7.3101 115.1166 64.2394 31.6318 176.2513 92 R 4.3569 7.8961 115.3147 56.2483 31.8127 175.9137 93 V 3.7190 6.9246 118.5919 61.9533 31.7878 175.4418 94 V 4.0807 8.0901 120.3582 59.5812 34.3896 175.4619 95 T 4.4877 8.2106 114.1023 59.4102 70.7575 173.1918 96 P 4.5856 0.0000 0.0000 63.9364 31.5723 176.3860 97 M 4.4032 8.0557 116.3539 55.4675 31.2014 175.8573 98 H 4.7936 7.9692 118.0000 55.6062 28.0967 174.7178 99 K 4.8191 8.4753 122.8000 54.1632 35.4885 176.3830 100 E 4.2748 8.8038 120.3341 58.2432 30.1992 177.1199 101 T 4.7069 7.2753 113.6760 60.8295 72.5643 174.5334 102 A 2.5800 7.9395 125.9905 55.1965 18.2688 180.0557 103 S 3.9021 7.8306 110.5325 61.9360 62.4632 176.1411 104 D 4.4105 7.9657 120.7266 57.3027 40.6059 178.5329 105 T 3.9849 8.3634 116.9523 66.5951 68.3862 176.1557 106 L 3.8877 7.7133 121.8622 58.2842 42.1937 178.3814 107 N 4.2480 8.0329 116.1264 56.4941 38.5500 176.8502 108 A 3.9806 8.4230 122.1455 55.6042 18.4695 179.8126 109 F 3.8345 8.2699 116.0002 60.3128 38.8298 177.6584 110 L 3.9906 8.3503 120.4745 58.4646 42.0195 179.0304 111 E 3.9817 8.9187 118.7164 59.2305 29.3553 179.0296 112 E 4.0113 8.3073 119.6371 59.0742 29.6281 178.1281 113 Y 4.0756 8.1415 119.8367 60.7627 38.8246 177.3287 114 C 4.0714 8.5436 118.0322 62.8132 27.9844 176.1888 115 R 3.8285 7.6617 119.2927 59.3740 29.7697 178.4779 116 I 3.7589 7.4999 118.6098 64.5456 37.3077 178.1911 117 T 4.0053 7.8131 108.9590 61.9812 68.8995 175.8820 118 G 3.8510 7.9320 108.8196 45.6169 0.0000 173.7763 119 L 4.0951 7.6726 119.0482 53.8109 42.2548 177.3948 120 A 4.2518 8.2812 122.9912 52.1128 20.3043 179.3340 121 R 3.9126 8.3742 119.7363 59.3862 30.0316 178.8439 122 E 3.8129 8.2494 117.5623 59.7457 29.4034 178.2669 123 D 4.5140 8.0900 117.9080 57.0444 40.9931 178.4156 124 A 4.2009 7.8811 121.3360 54.9726 18.3970 179.6386 125 L 3.9145 8.7830 118.1154 57.8050 41.3891 179.7227 126 R 3.9662 7.4484 116.7714 57.6287 30.6277 177.1233 127 E 4.1392 7.6629 118.9082 55.6741 30.4889 176.4337 128 K 4.4362 9.2132 122.8485 56.0155 33.8695 177.7134 129 M 3.7214 8.7363 124.2901 59.4741 32.1081 178.9302 130 R 3.8645 7.4380 117.2130 59.5182 30.1445 178.4574 131 K 3.7650 8.0152 117.3184 59.6923 32.1392 178.9788 132 V 3.0609 7.5070 117.8824 65.9630 31.2930 178.4894 133 K 4.1115 8.6960 119.0289 60.2288 32.6446 179.4623 134 S 4.5481 8.0971 115.7965 60.1564 63.0626 176.6081 135 V 3.4352 8.6611 123.7492 66.0867 31.3602 178.1835 136 V 3.7929 8.1654 118.0265 65.8519 31.2721 178.0856 137 L 4.2726 8.8274 119.3661 57.8209 41.5439 179.1842 138 F 4.1873 8.7283 117.8279 61.0326 38.7437 176.7677 139 H 4.0710 8.3955 117.2858 60.1888 29.5545 176.9651 140 H 4.2570 8.5998 117.5586 58.6509 28.6045 178.1384 141 S 4.9305 8.5612 119.0416 61.4141 62.8790 176.1478 142 E 3.9423 8.4247 122.0608 59.2498 29.0379 178.4524 143 L 4.1776 7.4922 119.1210 56.9226 42.4155 177.6861 144 L 4.4224 8.2790 116.6156 53.4264 42.4090 176.2761 145 K 3.9416 7.6709 116.6405 56.6663 30.6352 174.7761 146 F 4.7935 7.9921 117.7567 56.4167 42.8102 172.6288 147 E 4.2182 7.9520 128.5780 55.7169 29.9731 175.9086 148 V 4.3192 8.6757 126.9370 61.5138 32.5026 174.8874 149 T 4.6809 8.1115 117.6663 59.7570 71.1635 175.6110 150 E 4.2748 8.7292 120.5879 59.4296 29.5673 178.3543 151 N 5.2911 8.1399 113.5000 52.9243 37.2603 175.0707 152 M 4.4269 8.0374 116.3452 55.5059 31.3512 175.7276 153 F 4.9475 8.0031 117.6745 55.4676 42.6647 176.1386 154 S 4.2384 8.5588 116.5728 60.2725 63.6698 174.1348 155 Y 4.8137 6.8845 117.4556 57.7713 38.4433 177.8897 156 T 4.0154 8.1350 118.0299 67.3315 68.7273 175.4501 157 E 3.9746 8.2197 119.4774 59.2510 29.4776 178.9339 158 L 3.8798 7.9923 119.8144 58.3984 41.9784 178.9395 159 L 3.8426 7.6755 116.1939 56.4839 41.5329 178.6016 160 K 4.2318 7.3878 116.9103 55.9826 32.7399 177.0549 161 L 3.9106 7.2355 120.5628 55.3241 42.5096 177.2462 162 N 4.8611 8.3979 123.9376 52.0324 37.6727 173.7164 163 L 4.8143 7.0043 120.0525 51.7259 46.7626 176.8117 164 S 5.1360 8.2029 117.0111 57.8163 65.0680 175.3323 165 L 3.8744 8.3264 123.3539 57.8756 41.3274 179.5393 166 R 3.8053 8.0744 118.7408 59.6049 29.9608 178.5337 167 V 3.5369 7.4014 117.4984 66.1052 31.5194 177.8426 168 I 3.6437 7.8266 119.6953 64.5858 36.9133 178.6373 169 S 4.1370 8.6674 115.5282 60.8982 62.6334 176.1614 170 S 4.2003 8.1261 116.6171 59.9597 63.6443 175.6235 171 Q 4.3381 8.5435 119.9982 56.5629 29.3459 176.9392 172 I 4.0758 7.5973 119.6315 62.7506 38.3993 176.2268 173 L 4.5437 7.6646 117.6627 60.1013 40.3809 178.4270 174 G 3.6437 7.2838 104.5363 47.8754 0.0000 173.9497 175 M 4.2698 8.3255 121.3998 54.2500 33.4383 176.8987 176 A 4.1318 8.6100 123.2068 52.4039 19.8441 177.9114 177 I 3.7487 7.5614 118.9854 61.3489 36.8378 175.0156 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 M 8.30 4.46 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 K 7.84 4.17 0.00 1.69 1.64 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.61 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.72 1.09 7.81 3 F 8.24 5.06 0.00 3.13 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 4 F 8.94 4.79 0.00 2.97 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 5 L 8.26 4.81 0.00 1.85 1.72 0.99 0.33 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 6 K 8.64 4.16 0.00 1.82 1.86 0.00 1.79 0.00 0.00 2.02 0.00 0.00 3.25 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.58 7.81 7 D 8.91 4.56 0.00 2.82 2.84 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 8 G 7.95 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 9 E 8.27 4.46 0.00 2.24 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 0.00 2.62 2.86 0.00 10 T 8.18 4.01 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 1.29 0.00 0.00 11 S 7.99 4.11 0.00 3.85 3.89 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 12 R 8.06 3.80 0.00 2.10 2.09 0.00 3.16 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 13 A 7.68 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.69 3.83 0.00 1.88 1.77 0.98 0.68 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 15 S 8.12 4.26 0.00 4.08 4.08 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 16 R 7.59 3.88 0.00 2.21 1.87 0.00 3.03 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 17 S 7.88 4.33 0.00 4.07 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 18 E 8.31 3.94 0.00 2.17 2.05 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 2.34 2.43 0.00 19 S 7.80 4.44 0.00 4.02 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 20 L 7.42 3.87 0.00 1.85 1.94 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.03 3.92 0.00 1.83 1.89 1.05 1.08 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 22 R 7.48 3.84 0.00 2.01 1.97 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 1.86 1.79 0.00 23 R 7.81 3.97 0.00 1.88 2.17 0.00 3.08 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 24 V 7.93 3.55 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 0.97 0.00 0.00 0.94 0.00 0.00 25 K 7.30 3.30 0.00 1.67 1.55 0.00 1.57 0.00 0.00 1.53 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.89 7.81 26 E 7.45 4.07 0.00 2.03 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 2.45 2.44 0.00 27 L 7.00 4.13 0.00 1.69 1.56 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.23 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 29 T 8.24 4.48 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 1.19 0.00 0.00 30 N 7.57 5.34 0.00 2.92 2.98 0.00 0.00 6.39 7.64 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 31 S 7.52 4.25 0.00 3.85 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 32 Q 8.40 4.23 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 33 Q 8.71 4.02 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 34 S 8.23 4.03 0.00 3.96 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 35 E 7.86 3.95 0.00 2.08 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 2.29 2.47 0.00 36 I 7.26 3.48 1.81 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 1.62 0.40 0.78 0.00 0.00 37 S 8.46 4.16 0.00 4.02 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 0.00 38 E 8.44 4.36 0.00 2.23 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 2.63 2.19 0.00 39 C 8.15 4.06 0.00 3.00 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 40 V 7.82 3.66 2.31 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 1.21 0.00 0.00 0.78 0.00 0.00 41 D 7.91 4.58 0.00 3.03 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 42 E 8.31 3.98 0.00 2.13 2.20 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 2.35 2.42 0.00 43 F 8.24 4.06 0.00 3.34 3.39 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 44 N 9.18 4.32 0.00 3.06 2.87 0.00 0.00 7.24 7.02 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 45 E 8.24 3.95 0.00 2.22 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 0.00 2.35 2.39 0.00 46 L 7.83 3.96 0.00 1.67 1.64 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.62 3.76 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 48 S 8.06 4.11 0.00 4.07 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 49 F 8.73 3.91 0.00 3.17 3.21 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 50 N 8.66 4.37 0.00 3.04 2.99 0.00 0.00 6.92 8.33 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 51 H 8.35 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0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.13 4.06 0.00 2.10 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 2.41 2.36 0.00 81 M 7.86 4.24 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 82 L 8.26 4.14 0.00 1.87 1.78 0.86 0.80 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 83 K 8.63 3.91 0.00 2.10 1.91 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.56 7.81 84 E 7.97 3.98 0.00 2.35 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 2.38 2.41 0.00 85 I 8.12 3.88 2.36 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 1.54 0.97 1.13 0.00 0.00 86 R 8.65 3.70 0.00 2.13 2.05 0.00 3.09 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 1.44 1.67 0.00 87 A 7.69 3.85 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 88 F 8.19 4.20 0.00 3.35 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 89 L 8.50 3.86 0.00 1.89 1.63 0.80 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.74 3.93 0.00 2.15 1.80 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.65 7.81 91 V 7.31 3.55 2.23 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 0.85 0.00 0.00 0.94 0.00 0.00 92 R 7.90 4.36 0.00 1.62 1.82 0.00 3.33 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 93 V 6.92 3.72 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 0.21 0.00 0.00 94 V 8.09 4.08 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 0.64 0.00 0.00 0.86 0.00 0.00 95 T 8.21 4.49 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 1.35 0.00 0.00 96 P 0.00 4.59 0.00 2.16 2.21 0.00 3.24 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 1.99 2.09 0.00 97 M 8.06 4.40 0.00 1.63 1.69 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.58 0.00 98 H 7.97 4.79 0.00 3.34 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.48 4.82 0.00 1.88 1.78 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.47 7.81 100 E 8.80 4.27 0.00 1.97 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 2.33 2.46 0.00 101 T 7.28 4.71 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 1.15 0.00 0.00 102 A 7.94 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.83 3.90 0.00 3.83 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 0.00 104 D 7.97 4.41 0.00 2.75 2.72 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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0.00 113 Y 8.14 4.08 0.00 3.28 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 0.00 114 C 8.54 4.07 0.00 3.21 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 0.00 115 R 7.66 3.83 0.00 1.99 1.90 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 116 I 7.50 3.76 1.70 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.81 0.81 0.00 0.00 117 T 7.81 4.01 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 0.27 0.00 0.00 118 G 7.93 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 0.00 119 L 7.67 4.10 0.00 1.56 1.64 0.90 0.61 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 0.00 120 A 8.28 4.25 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 0.00 121 R 8.37 3.91 0.00 1.88 2.00 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 122 E 8.25 3.81 0.00 1.94 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 2.30 2.49 0.00 123 D 8.09 4.51 0.00 2.77 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 0.00 124 A 7.88 4.20 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.78 3.91 0.00 1.90 1.72 0.92 0.89 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 0.00 126 R 7.45 3.97 0.00 1.94 1.98 0.00 3.24 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 127 E 7.66 4.14 0.00 2.02 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 2.36 2.46 0.00 128 K 9.21 4.44 0.00 1.64 1.65 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.54 7.81 129 M 8.74 3.72 0.00 2.28 1.95 0.00 0.00 0.00 0.00 0.00 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2.10 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.73 4.19 0.00 3.07 3.16 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 0.00 139 H 8.40 4.07 0.00 3.47 3.60 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.60 4.26 0.00 3.38 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.56 4.93 0.00 4.11 3.92 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 0.00 142 E 8.42 3.94 0.00 2.20 2.05 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 2.31 2.36 0.00 143 L 7.49 4.18 0.00 1.72 1.87 0.88 1.34 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 0.00 144 L 8.28 4.42 0.00 1.75 1.75 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.67 3.94 0.00 2.03 1.95 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 146 F 7.99 4.79 0.00 3.06 2.85 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 0.00 147 E 7.95 4.22 0.00 1.76 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 2.19 2.13 0.00 148 V 8.68 4.32 2.29 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 1.07 0.00 0.00 1.17 0.00 0.00 149 T 8.11 4.68 4.40 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 1.25 0.00 0.00 150 E 8.73 4.27 0.00 2.17 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 0.00 2.40 2.44 0.00 151 N 8.14 5.29 0.00 2.86 2.94 0.00 0.00 6.34 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 0.00 152 M 8.04 4.43 0.00 1.81 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 153 F 8.00 4.95 0.00 3.23 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 0.00 154 S 8.56 4.24 0.00 3.53 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 0.00 155 Y 6.88 4.81 0.00 3.16 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 0.00 156 T 8.13 4.02 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 1.25 0.00 0.00 157 E 8.22 3.97 0.00 1.99 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 2.41 2.33 0.00 158 L 7.99 3.88 0.00 1.76 2.02 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.68 3.84 0.00 1.63 1.34 0.50 -0.27 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 0.00 160 K 7.39 4.23 0.00 1.84 1.83 0.00 2.00 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.61 7.81 161 L 7.24 3.91 0.00 1.70 1.55 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 162 N 8.40 4.86 0.00 2.64 2.72 0.00 0.00 6.87 7.78 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 0.00 163 L 7.00 4.81 0.00 1.62 1.42 0.89 0.78 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 0.00 164 S 8.20 5.14 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 3.87 0.00 1.65 1.70 0.87 0.63 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 0.00 166 R 8.07 3.81 0.00 1.85 1.91 0.00 3.09 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 167 V 7.40 3.54 2.05 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 0.95 0.00 0.00 0.93 0.00 0.00 168 I 7.83 3.64 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.84 0.00 0.00 169 S 8.67 4.14 0.00 3.96 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 0.00 170 S 8.13 4.20 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.54 4.34 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 172 I 7.60 4.08 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.48 0.88 0.00 0.00 173 L 7.66 4.54 0.00 1.64 1.60 0.92 0.57 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 0.00 174 G 7.28 3.64 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 0.00 0.00 0.00 175 M 8.33 4.27 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 176 A 8.61 4.13 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 0.00 177 I 7.56 3.75 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 1.27 0.51 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.