NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.2424 8.2649 122.4318 51.6839 20.2295 176.2976 18 Y 3.7402 8.4776 119.3708 57.4032 39.1659 173.2758 19 S 4.8653 9.0292 120.9204 56.9155 65.6417 173.0198 20 F 5.2316 8.8976 123.9502 55.4355 42.3469 174.4951 21 K 5.0788 8.7086 123.0401 54.6842 34.7451 174.7700 22 V 4.8906 8.7958 126.4945 61.2290 34.8654 174.3463 23 V 4.6429 8.1593 120.7511 59.5758 34.3889 174.5171 24 L 5.1430 8.2290 124.3635 53.3579 43.2494 175.9585 25 L 4.1687 9.4610 122.5182 52.9685 46.5826 175.1306 26 G 3.9492 6.0182 105.4654 42.6003 0.0000 173.4894 27 E 4.4411 8.6924 119.5092 55.6809 30.1225 177.3516 28 G 3.8170 8.3800 109.9545 47.4014 0.0000 174.0143 29 C 3.9062 8.8433 118.2566 59.6579 25.9990 174.9111 30 V 3.7444 7.1521 112.1427 62.4246 31.5789 176.9659 31 G 4.2593 8.6090 108.5405 45.5310 0.0000 175.5757 32 K 3.8916 8.5443 120.9000 59.9292 31.9782 179.2727 33 T 4.0494 7.8784 115.1799 66.6382 68.3494 176.9436 34 S 4.2123 8.1056 116.7975 61.4752 62.9192 176.5228 35 L 4.1116 8.1705 122.0002 57.7925 41.4342 179.9898 36 V 3.7393 7.6852 119.2798 64.9372 31.4285 178.4823 37 L 4.0353 8.2384 119.9381 57.2033 41.4052 179.5571 38 R 4.0266 8.5155 119.2501 59.6375 29.8941 177.9792 39 Y 4.1239 7.8873 118.0180 60.8134 38.8587 177.1532 40 C 4.1321 7.9974 115.8574 60.9705 28.6734 174.1472 41 E 4.4663 7.6599 115.8750 54.3755 31.5594 174.5815 42 N 4.2902 8.1388 116.3555 54.9427 37.7380 173.7510 43 K 4.7598 7.8313 114.6916 54.6477 35.5682 176.1197 44 F 4.8006 8.3893 123.0826 56.9730 42.3803 173.0127 45 N 4.6273 7.5003 125.0347 51.9235 41.6629 173.3147 46 D 4.6945 8.4699 127.0157 54.6223 41.8471 176.9484 47 K 4.4583 7.6930 118.9653 54.3460 33.9792 177.4813 48 H 4.7868 7.2149 109.9415 54.9839 30.9823 172.9754 49 I 3.8377 8.2352 120.8450 61.6825 37.2877 175.9170 50 T 4.5813 8.2780 121.7636 62.3667 69.9884 174.3883 51 T 4.6325 8.0393 120.9822 61.2367 72.3622 173.6777 52 L 4.0139 8.6816 130.2548 56.1887 42.5907 177.0491 53 Q 4.4709 8.2806 123.5258 54.6621 28.6774 172.8077 54 A 4.3088 7.1771 118.9545 52.2609 21.5576 177.7543 55 S 4.1521 7.9092 116.0263 61.2527 63.0985 174.5026 56 F 4.8350 6.5812 111.9104 55.4495 40.5329 173.7551 57 L 4.9614 8.9537 119.5771 53.1787 45.1323 175.4489 58 T 5.1505 8.4881 111.9095 60.1904 70.7316 173.7275 59 K 4.6096 9.2646 128.8836 55.1008 35.4803 175.3036 60 K 5.1642 8.6668 129.9097 53.9211 33.6783 173.3289 61 L 5.0087 9.0623 122.7591 52.5747 46.6582 175.2550 62 N 5.4349 8.7764 117.0732 51.7651 41.5489 174.3025 63 I 4.2318 8.9055 125.8944 59.8936 39.1285 176.2661 64 G 3.8758 9.9626 117.3386 46.3644 0.0000 171.1831 65 G 4.2555 7.7664 117.1425 45.9328 0.0000 173.4841 66 K 4.1218 7.8287 122.7708 54.5056 32.9406 179.1984 67 R 5.1430 8.3850 122.2002 55.9321 31.5588 174.7792 68 V 4.8793 8.9196 120.7944 61.3881 35.0132 173.9710 69 N 5.0358 9.6771 126.6841 52.0868 40.0370 173.7270 70 L 5.1555 9.1637 127.2326 53.2035 44.7287 174.7566 71 A 5.1020 8.9304 128.6168 50.5580 21.1955 175.1173 72 I 4.9759 8.9721 124.4621 60.2311 39.2492 175.2001 73 W 5.2669 9.4640 127.9429 55.3153 31.2768 174.9705 74 D 5.1200 8.7296 121.7409 53.0469 44.2835 174.4722 75 T 4.6191 8.4291 116.5253 60.1068 70.2646 173.9438 76 A 4.0734 8.5400 130.1262 53.9939 19.1051 176.5473 *86 P 4.6016 0.0000 0.0000 62.3600 33.4929 178.3338 87 I 3.7362 8.2183 117.3114 64.4340 37.9632 176.2482 88 Y 4.1882 8.2501 119.5223 60.9653 38.9539 176.3407 89 Y 3.9543 8.3057 117.0807 60.5326 38.2600 176.6089 90 R 3.6991 8.0725 119.3937 58.2668 30.2110 175.4614 91 D 4.5183 8.8062 123.0583 55.2210 38.1181 174.0349 92 S 4.3619 7.4827 115.0911 58.6399 63.7042 173.7483 93 N 4.7774 9.4063 121.4595 54.0520 40.7272 174.9616 94 G 4.5132 7.8595 103.3754 44.2916 0.0000 171.4968 95 A 4.9491 8.9628 120.9341 50.2293 23.2042 175.4744 96 I 4.3442 8.9713 123.2869 59.5514 39.7357 174.6952 97 L 4.9024 8.9287 131.5392 53.4677 43.3390 175.0970 98 V 4.8918 8.4244 127.5140 61.4447 33.5060 174.1406 99 Y 5.0415 8.2324 124.2016 55.3216 42.2839 173.0212 100 D 5.3467 9.1477 119.0864 52.2697 42.8465 177.1490 101 I 3.9364 8.5713 120.4822 63.8618 37.5949 177.4277 102 T 4.5259 8.3029 108.8509 61.3823 69.4485 174.6530 103 D 4.6479 8.4764 122.2217 51.9917 43.3597 174.9799 104 E 4.1869 8.8342 128.7778 59.3120 29.9246 178.1356 105 D 4.4484 8.3002 119.0383 57.2646 40.7142 178.5813 106 S 4.2913 8.3933 114.0200 61.4105 63.1521 176.2148 107 F 4.2085 8.1499 125.3251 61.7843 38.9589 177.9810 108 Q 3.7569 8.0496 118.7136 59.5324 28.2666 179.6552 109 K 4.3928 7.9475 116.5926 58.0861 32.2819 178.9243 110 V 3.8765 7.8093 122.1616 66.8507 31.2995 178.6499 111 K 4.1038 7.8580 122.5759 59.4691 31.3279 181.1435 112 N 4.4675 7.8161 115.1703 56.4724 38.6338 177.2342 113 W 4.4213 8.1060 119.9249 59.4994 29.1144 178.7153 114 V 3.7661 8.0057 120.4679 66.3071 31.2123 178.8028 115 K 4.5685 7.8414 122.1786 56.4076 32.2658 178.5489 116 E 4.8498 7.8826 120.2534 57.0878 35.9365 176.4670 117 L 4.1943 8.7891 123.2106 58.9066 41.8585 179.8821 118 R 4.0870 8.2753 122.4582 61.7696 29.4066 181.3771 119 K 4.3246 7.8378 122.7208 60.0646 31.8943 181.4030 120 M 4.3171 7.7755 118.9875 56.4436 32.0415 176.3107 121 L 4.8670 7.3201 116.4096 52.3698 46.1871 176.0603 122 G 3.7549 8.4946 111.3591 45.8900 0.0000 175.5310 123 N 4.4963 8.9367 119.8261 54.0331 37.0908 173.9465 124 E 4.4339 8.2997 114.3125 57.1708 30.2221 180.3533 125 I 4.3343 7.3454 112.1164 61.3205 39.2285 175.5690 126 C 4.3194 8.6568 123.6122 59.5747 28.6133 172.1585 127 L 5.0209 8.5001 126.5024 53.5926 44.1939 174.5587 128 C 5.2645 9.3646 123.4746 58.0827 31.1932 172.6993 129 I 5.0012 9.0605 124.4737 59.5737 39.7126 174.7680 130 V 4.5095 8.7164 126.4709 60.9681 34.5503 174.6210 131 G 3.3908 8.8103 116.9657 45.1510 0.0000 172.1475 132 N 5.2910 8.2252 125.7410 51.4305 41.7334 174.6227 133 K 4.2539 8.6090 119.0755 57.3599 29.4641 178.5191 134 I 4.0037 7.7139 111.7981 62.2814 38.0720 176.4884 135 D 4.4366 8.0225 120.4294 55.7200 39.4553 176.6162 136 L 4.6576 7.8486 120.0641 54.4338 42.2814 178.2609 137 E 3.8648 8.6304 123.6242 60.3579 29.4307 180.5454 138 K 3.9360 8.0952 117.9765 56.8433 31.7998 178.8352 139 E 4.6815 8.2284 116.8217 56.3004 29.9264 175.7754 140 R 4.1723 7.9544 119.6583 57.1373 30.4509 175.9268 141 H 4.8795 9.3157 119.0304 55.0206 31.0950 173.2598 142 V 4.4416 7.5246 118.8818 60.0886 33.2362 175.4622 143 S 4.2410 8.1845 121.1449 57.7169 63.5082 174.6037 144 I 3.6009 8.2968 130.3853 64.5762 37.0065 177.6956 145 Q 3.8815 8.0836 119.7516 59.4676 28.6989 178.2017 146 E 3.8643 7.8246 119.5548 59.2802 29.7392 178.7134 147 A 3.8468 7.6820 120.4744 55.3317 18.5915 179.5530 148 E 3.8910 8.1831 117.1451 59.4248 29.2826 179.9253 149 S 4.1921 8.4131 117.9846 62.3699 62.8993 176.8598 *150 Y 4.0177 8.0368 123.2149 61.8498 36.5299 179.8011 151 A 4.3152 8.1253 125.2330 56.0238 18.6250 180.3694 152 E 3.9560 8.1236 116.4047 61.1685 29.5186 181.2848 153 S 4.4176 7.7877 113.8765 60.9440 63.2234 176.0440 154 V 4.1768 7.5060 112.8973 60.6936 31.5837 176.8032 155 G 3.8039 7.9373 106.6080 45.2175 0.0000 173.1204 156 A 4.7441 8.0668 123.5920 50.8198 21.7291 177.3334 157 K 4.5468 8.2736 121.4497 54.0509 34.6269 173.7307 158 H 5.5111 8.3408 119.9025 55.2730 32.2568 172.9714 159 Y 4.8250 8.6717 120.9260 56.7310 42.7231 173.5110 160 H 5.5350 8.8598 118.9930 54.4769 30.8237 174.2301 161 T 4.9390 8.9661 112.4027 60.0326 72.8747 172.9413 162 S 4.6996 9.0538 117.3809 56.5599 64.6001 174.6298 163 A 3.9634 8.4701 130.2410 54.7701 18.6178 178.6259 164 K 2.0000 7.6238 116.3183 58.6522 32.2057 177.5285 165 Q 4.1618 7.3706 114.4101 54.8088 29.5834 174.6365 166 N 4.1111 7.7625 115.2406 54.8164 37.2190 173.7847 167 K 4.4851 8.3546 117.4674 55.8798 34.8421 178.2623 168 G 4.0123 8.9358 111.3491 45.9908 0.0000 175.2509 169 I 3.8176 7.6378 120.5982 64.0865 37.5991 177.3183 170 E 4.1845 8.3098 119.7083 59.5338 29.4111 178.4218 171 E 4.0100 8.1505 118.8124 58.8333 29.8440 178.2643 172 L 3.2861 7.5944 120.0689 58.1647 42.1378 179.1601 173 F 3.8176 7.7230 117.3054 59.9819 38.6680 177.6522 174 L 4.0073 7.8625 119.8452 58.1687 41.9630 178.5661 175 D 4.2973 8.0376 118.0443 57.0490 41.1303 177.7867 176 L 3.8015 7.6293 120.7466 58.4283 42.1339 178.5049 177 C 3.8179 7.9536 116.4867 63.0760 28.2319 176.5567 178 K 3.9565 8.0099 119.7106 59.3473 31.6403 179.7549 179 R 3.8722 7.9537 118.4419 59.5391 29.7836 179.0563 180 M 3.8542 7.6679 117.3626 58.1126 31.7613 178.6003 181 I 3.7896 7.1014 121.5111 64.7165 37.2877 178.5993 182 E 4.2525 8.0013 120.3410 61.5651 29.6040 180.3319 183 T 4.3687 7.3514 113.2102 61.7570 69.8671 177.6177 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 17 A 8.26 4.24 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 18 Y 8.48 3.74 0.00 2.84 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 0.00 0.00 0.00 19 S 9.03 4.87 0.00 3.57 3.68 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 0.00 0.00 0.00 0.00 20 F 8.90 5.23 0.00 3.05 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 21 K 8.71 5.08 0.00 1.70 1.68 0.00 1.00 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.00 7.81 22 V 8.80 4.89 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 1.00 0.00 0.00 0.96 0.00 0.00 23 V 8.16 4.64 1.84 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 -0.13 0.00 0.00 0.78 0.00 0.00 24 L 8.23 5.14 0.00 1.72 1.59 1.07 0.89 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 25 L 9.46 4.17 0.00 1.14 0.59 1.08 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 G 6.02 3.95 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 0.00 27 E 8.69 4.44 0.00 2.15 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 2.68 2.41 0.00 28 G 8.38 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 29 C 8.84 3.91 0.00 3.20 3.24 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 30 V 7.15 3.74 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 0.80 0.00 0.00 1.02 0.00 0.00 31 G 8.61 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 32 K 8.54 3.89 0.00 1.80 1.88 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 33 T 7.88 4.05 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 34 S 8.11 4.21 0.00 4.12 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.17 4.11 0.00 1.99 1.86 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.69 3.74 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 37 L 8.24 4.04 0.00 1.84 1.78 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.52 4.03 0.00 2.09 2.07 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 39 Y 7.89 4.12 0.00 2.87 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 40 C 8.00 4.13 0.00 3.03 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 41 E 7.66 4.47 0.00 2.03 1.88 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 2.18 2.16 0.00 42 N 8.14 4.29 0.00 2.82 2.84 0.00 0.00 6.93 6.37 0.00 0.00 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 K 7.83 4.76 0.00 1.76 1.67 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.37 7.81 44 F 8.39 4.80 0.00 2.94 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 45 N 7.50 4.63 0.00 2.44 2.31 0.00 0.00 6.86 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.47 4.69 0.00 2.59 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 47 K 7.69 4.46 0.00 1.78 1.66 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 0.95 7.81 48 H 7.21 4.79 0.00 3.17 3.27 0.00 5.50 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.24 3.84 1.88 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 1.42 0.54 0.91 0.00 0.00 50 T 8.28 4.58 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 1.18 0.00 0.00 51 T 8.04 4.63 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 1.20 0.00 0.00 52 L 8.68 4.01 0.00 1.58 1.55 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.28 4.47 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 54 A 7.18 4.31 0.97 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 0.00 0.00 55 S 7.91 4.15 0.00 3.43 3.40 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 0.00 56 F 6.58 4.83 0.00 2.56 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 57 L 8.95 4.96 0.00 1.61 1.55 0.94 0.45 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 58 T 8.49 5.15 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 59 K 9.26 4.61 0.00 1.79 1.70 0.00 1.29 0.00 0.00 1.15 0.00 0.00 2.40 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.02 1.28 7.81 60 K 8.67 5.16 0.00 1.57 1.56 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.02 7.81 61 L 9.06 5.01 0.00 1.66 1.61 1.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.78 5.43 0.00 2.58 2.73 0.00 0.00 6.73 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 63 I 8.91 4.23 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.94 0.00 0.00 64 G 9.96 3.88 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 0.00 65 G 7.77 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 66 K 7.83 4.12 0.00 1.69 1.71 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.44 1.01 7.81 67 R 8.38 5.14 0.00 1.49 1.82 0.00 3.16 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.19 0.00 68 V 8.92 4.88 2.21 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 1.25 0.00 0.00 1.12 0.00 0.00 69 N 9.68 5.04 0.00 2.62 2.75 0.00 0.00 6.04 7.10 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 70 L 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.87 1.12 0.00 0.00 88 Y 8.25 4.19 0.00 3.00 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 89 Y 8.31 3.95 0.00 3.14 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 90 R 8.07 3.70 0.00 1.95 1.91 0.00 3.35 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 91 D 8.81 4.52 0.00 2.74 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 92 S 7.48 4.36 0.00 3.77 3.65 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 93 N 9.41 4.78 0.00 2.62 2.83 0.00 0.00 6.54 7.65 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 94 G 7.86 4.51 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 0.00 95 A 8.96 4.95 1.19 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 0.00 0.00 96 I 8.97 4.34 1.75 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.49 0.68 0.00 0.00 97 L 8.93 4.90 0.00 1.70 1.72 0.76 0.77 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 98 V 8.42 4.89 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 0.73 0.00 0.00 0.83 0.00 0.00 99 Y 8.23 5.04 0.00 3.27 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 0.00 100 D 9.15 5.35 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 101 I 8.57 3.94 1.96 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 1.45 0.62 0.96 0.00 0.00 102 T 8.30 4.53 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 1.30 0.00 0.00 103 D 8.48 4.65 0.00 2.74 2.65 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 0.00 104 E 8.83 4.19 0.00 2.37 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 2.43 2.53 0.00 105 D 8.30 4.45 0.00 2.94 2.75 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 0.00 0.00 0.00 106 S 8.39 4.29 0.00 4.22 4.14 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 0.00 0.00 0.00 0.00 107 F 8.15 4.21 0.00 2.59 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 0.00 108 Q 8.05 3.76 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 109 K 7.95 4.39 0.00 1.92 1.97 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.69 7.81 110 V 7.81 3.88 1.99 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 0.99 0.00 0.00 1.12 0.00 0.00 111 K 7.86 4.10 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.10 7.81 112 N 7.82 4.47 0.00 2.56 2.64 0.00 0.00 7.03 7.25 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 0.00 113 W 8.11 4.42 0.00 3.62 3.27 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 0.00 114 V 8.01 3.77 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 1.10 0.00 0.00 1.06 0.00 0.00 115 K 7.84 4.57 0.00 1.92 1.66 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.31 7.81 116 E 7.88 4.85 0.00 1.96 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 2.28 2.21 0.00 117 L 8.79 4.19 0.00 2.19 1.87 1.00 1.38 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 0.00 118 R 8.28 4.09 0.00 1.94 1.83 0.00 3.32 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 119 K 7.84 4.32 0.00 1.85 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.10 7.81 120 M 7.78 4.32 0.00 1.52 1.54 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.22 0.00 121 L 7.32 4.87 0.00 1.82 1.54 1.03 1.11 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 0.00 122 G 8.49 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.94 4.50 0.00 2.75 2.72 0.00 0.00 6.65 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 0.00 124 E 8.30 4.43 0.00 1.96 1.87 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 2.22 2.11 0.00 125 I 7.35 4.33 1.96 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 1.37 0.91 1.01 0.00 0.00 126 C 8.66 4.32 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 0.00 127 L 8.50 5.02 0.00 1.77 1.52 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 128 C 9.36 5.26 0.00 2.68 2.65 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 0.00 129 I 9.06 5.00 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 1.26 0.00 0.00 130 V 8.72 4.51 1.93 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 0.84 0.00 0.00 0.74 0.00 0.00 131 G 8.81 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 0.00 0.00 0.00 132 N 8.23 5.29 0.00 2.77 2.72 0.00 0.00 7.23 6.14 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 0.00 133 K 8.61 4.25 0.00 2.03 2.08 0.00 2.14 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.36 7.81 134 I 7.71 4.00 1.81 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 1.53 0.49 0.91 0.00 0.00 135 D 8.02 4.44 0.00 2.77 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 0.00 136 L 7.85 4.66 0.00 1.87 1.71 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.63 3.86 0.00 1.96 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 2.55 2.25 0.00 138 K 8.10 3.94 0.00 1.77 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.05 7.81 139 E 8.23 4.68 0.00 2.18 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 2.27 2.27 0.00 140 R 7.95 4.17 0.00 1.78 1.84 0.00 3.17 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 141 H 9.32 4.88 0.00 3.20 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.52 4.44 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 0.19 0.00 0.00 1.08 0.00 0.00 143 S 8.18 4.24 0.00 3.86 3.59 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 0.00 144 I 8.30 3.60 1.85 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 1.59 0.42 0.92 0.00 0.00 145 Q 8.08 3.88 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 146 E 7.82 3.86 0.00 1.97 1.90 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 2.27 2.46 0.00 147 A 7.68 3.85 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 0.00 148 E 8.18 3.89 0.00 1.95 1.95 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 2.13 2.29 0.00 149 S 8.41 4.19 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 *150 Y 8.04 4.02 0.00 2.34 2.30 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 0.00 151 A 8.13 4.32 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.96 0.00 2.03 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 2.24 2.19 0.00 153 S 7.79 4.42 0.00 3.98 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 0.00 154 V 7.51 4.18 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 0.77 0.00 0.00 1.07 0.00 0.00 155 G 7.94 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 0.00 156 A 8.07 4.74 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 0.00 157 K 8.27 4.55 0.00 1.45 1.67 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.23 7.81 158 H 8.34 5.51 0.00 3.11 3.11 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 8.67 4.83 0.00 2.69 2.66 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 0.00 160 H 8.86 5.53 0.00 3.04 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.97 4.94 4.21 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 1.13 0.00 0.00 162 S 9.05 4.70 0.00 3.79 3.65 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 0.00 163 A 8.47 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 0.00 164 K 7.62 2.00 0.00 1.10 1.50 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.14 0.95 7.81 165 Q 7.37 4.16 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 166 N 7.76 4.11 0.00 2.80 2.82 0.00 0.00 6.90 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 0.00 167 K 8.35 4.49 0.00 1.79 1.66 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.31 7.81 168 G 8.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.64 3.82 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.14 1.15 0.00 0.00 170 E 8.31 4.18 0.00 2.21 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 2.46 2.53 0.00 171 E 8.15 4.01 0.00 2.16 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 2.43 2.53 0.00 172 L 7.59 3.29 0.00 1.32 1.44 -0.25 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.72 3.82 0.00 2.52 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 0.00 174 L 7.86 4.01 0.00 1.98 1.70 0.98 0.94 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 0.00 175 D 8.04 4.30 0.00 3.15 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 0.00 176 L 7.63 3.80 0.00 1.60 1.57 0.80 0.75 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 0.00 177 C 7.95 3.82 0.00 3.26 3.03 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 0.00 0.00 0.00 178 K 8.01 3.96 0.00 1.92 1.82 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.56 7.81 179 R 7.95 3.87 0.00 1.95 1.89 0.00 3.10 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 1.61 1.83 0.00 180 M 7.67 3.85 0.00 0.65 0.98 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 181 I 7.10 3.79 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.33 0.68 0.00 0.00 182 E 8.00 4.25 0.00 2.10 1.87 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 2.26 2.19 0.00 183 T 7.35 4.37 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 * Residues marked with a * may have inaccurate shift predictions.