NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.3189 8.1844 120.6345 54.9219 43.9252 177.5980 1 R 3.6565 8.2392 117.3306 58.5893 30.0293 174.3547 2 Y 4.8263 7.8188 113.7519 56.5208 41.0444 174.0886 3 H 4.9095 9.3445 123.9387 54.7539 31.7954 173.3945 4 L 5.1461 8.2788 125.8735 53.5565 43.1710 175.9071 5 R 4.5820 8.3906 118.0345 54.3932 33.0847 172.6353 6 P 5.0893 0.0000 0.0000 61.4160 32.0446 174.8367 7 P 4.6663 0.0000 0.0000 62.7494 32.3311 175.4159 8 R 4.7099 9.3586 118.3704 53.8049 33.4794 176.9809 9 R 3.8411 8.6394 118.7479 59.9749 29.8233 177.4742 10 N 4.7405 8.0043 111.3640 54.1956 38.8698 175.9290 11 D 4.6075 8.4415 119.6983 55.6315 40.9564 178.3549 12 G 3.7344 7.8085 106.7364 47.9668 0.0000 175.4976 13 A 3.9781 7.9428 122.6967 54.7662 18.4042 179.4710 14 A 3.8683 7.8307 118.7873 55.1367 18.4239 179.8309 15 I 3.2610 7.7921 118.7148 64.4926 37.0763 178.0956 16 H 3.3882 7.9545 119.0645 58.9201 29.6655 176.9164 17 Q 3.8209 8.1415 121.5922 59.0958 28.6381 177.7933 18 L 3.8204 7.6686 120.1132 58.4823 42.3226 178.7659 19 V 3.6082 7.6113 118.1392 66.0372 31.1597 178.0976 20 S 4.1107 7.7401 112.7742 60.9369 62.6908 175.2775 21 E 4.4751 7.6005 119.9030 55.7382 30.5582 176.3393 22 C 4.8710 7.8472 116.4021 58.0877 28.6990 172.4617 23 P 4.7150 0.0000 0.0000 62.6206 31.7914 174.2492 24 P 4.7950 0.0000 0.0000 62.6264 31.7506 175.8538 25 L 4.2235 7.6803 118.6650 55.5176 42.0344 177.0952 26 D 4.4452 8.6399 122.3828 54.3753 41.3420 175.5527 27 L 4.5249 8.4668 125.7685 53.7587 42.9337 175.8827 28 N 4.9066 8.6235 124.0208 51.4532 39.9733 174.8489 29 S 4.4400 8.2826 113.4472 58.1395 63.8526 175.0202 30 L 3.9858 8.5558 122.7546 58.6377 41.6329 178.5516 31 Y 4.1109 8.1376 118.6981 60.6553 38.8617 177.7766 32 A 3.8447 7.9737 121.4284 55.3780 18.4549 179.2825 33 Y 3.9217 7.2083 113.9679 60.9763 37.8128 178.4199 34 L 3.9688 8.0822 120.0799 57.9488 41.6391 179.6736 35 L 3.7108 7.7801 118.8277 57.5599 41.4872 179.5513 36 L 4.1761 7.8412 118.6643 58.0930 41.3645 179.3895 37 C 4.2578 7.9998 115.7171 62.7087 28.1215 175.4830 38 E 4.0757 8.2705 120.2163 58.9249 29.3838 177.5480 39 H 4.9589 8.3645 113.9350 55.9570 30.4618 175.0163 40 H 4.8472 8.0853 116.7397 55.2309 29.9698 175.5169 41 A 4.1271 8.3380 126.1823 55.4973 18.3157 180.2914 42 H 4.4520 8.4392 110.0914 57.8686 28.7338 175.8112 43 T 4.6569 8.0371 109.3273 61.3932 70.2036 172.9738 44 C 5.2905 8.0919 119.9050 58.4455 32.3487 172.8889 45 V 4.8417 8.1730 117.8393 60.7629 34.7235 173.8896 46 V 5.0801 9.0836 115.5542 59.6374 35.5447 174.4760 47 A 5.0126 8.6414 125.5017 50.4315 20.5206 175.1585 48 E 5.2080 9.2139 124.9364 54.5479 32.0286 176.2641 49 S 4.0668 9.4232 122.0835 57.0164 64.0895 173.2273 50 P 4.1435 0.0000 0.0000 65.7220 30.9437 177.8725 51 G 3.7259 7.9275 103.6952 45.8023 0.0000 174.1373 52 G 3.9610 8.4438 108.8333 44.9831 0.0000 173.8895 53 R 4.0836 7.8952 120.7153 55.5679 30.7642 175.5231 54 I 4.6143 8.1959 125.7174 61.0761 37.2288 175.1763 55 D 4.8613 8.9004 125.1010 54.0373 42.4009 176.3203 56 G 4.3747 7.6360 105.1046 45.2262 0.0000 171.8673 57 F 5.4867 8.9104 122.7058 56.8507 43.7670 172.9988 58 V 4.5570 8.0905 124.8564 60.8935 34.5032 174.0668 59 S 4.7706 8.0957 122.4132 56.9468 65.0852 173.0272 60 A 5.1314 8.0216 124.1218 51.8483 22.7413 174.5813 61 Y 5.0368 8.1363 115.2523 56.7663 41.5833 174.1271 62 L 4.7428 8.7011 120.9732 54.4748 43.0397 176.9141 63 L 4.3588 8.7925 123.4024 53.9595 42.2023 176.5821 64 P 4.3126 0.0000 0.0000 65.5691 31.3827 177.3366 65 T 4.3410 7.7755 105.1923 62.3711 70.0779 175.2609 66 R 4.7301 7.7994 121.7684 54.5892 31.2906 174.0426 67 P 4.4817 0.0000 0.0000 64.8238 32.2291 177.6599 68 D 4.8080 8.1626 118.2302 54.4180 40.7995 175.4970 69 V 4.7998 8.2122 121.6485 61.2775 33.9125 173.8367 70 L 4.9138 8.8413 130.5396 53.8306 43.8320 174.5557 71 F 4.8309 9.1861 129.5687 56.5257 41.2545 174.2455 72 V 4.2928 7.4783 127.2139 61.6467 31.8469 175.0333 73 W 4.7904 9.3615 135.0000 59.7143 30.9320 175.9624 74 Q 4.7289 8.4961 118.0322 53.9502 32.9214 173.9359 75 V 4.7339 8.5503 121.4511 61.1270 34.1388 174.2950 76 A 4.7513 9.1532 130.6590 50.0712 21.4876 174.8496 77 V 4.5381 8.1850 122.2127 60.9694 34.1243 174.8170 78 H 4.3115 9.0567 128.7904 55.9539 30.3930 176.3892 79 S 4.1064 8.6472 119.1677 61.1773 62.7474 175.6419 80 R 4.1029 8.3845 115.3735 57.5467 29.6816 176.6515 81 A 4.7468 7.8963 121.0713 51.9061 19.2124 177.0271 82 R 4.0599 7.7759 116.8937 58.4578 30.6643 176.7297 83 G 3.8788 8.9366 108.0800 46.6966 0.0000 173.6706 84 H 4.7630 8.0848 112.7584 54.2316 30.3247 173.7707 85 R 3.7549 7.9775 117.6557 56.8614 27.7681 178.4377 86 L 3.9564 8.1070 118.5497 57.7842 42.1708 179.3966 87 G 3.6437 8.0500 106.6187 48.6746 0.0000 174.9569 88 R 3.8346 7.8918 119.2821 58.6970 30.4514 179.2398 89 A 4.1469 7.9358 117.5621 52.9778 18.0858 178.9732 *91 L 4.1763 8.1349 120.9206 56.1973 43.8751 179.6193 92 G 3.5695 8.2795 105.4682 47.9979 0.0000 175.0897 93 H 4.0375 8.1321 119.6757 59.0747 30.2167 177.1243 94 I 3.8550 7.6622 120.9816 64.5001 36.8458 178.3647 95 L 3.9971 7.7867 118.2087 57.1588 41.4646 178.4982 96 E 4.2058 7.7253 116.2665 56.0252 30.2897 177.1109 97 R 4.1200 7.2549 119.4941 55.6513 31.0423 177.7281 98 Q 4.0273 8.6341 118.4922 59.3100 28.6905 178.6997 99 E 4.0711 8.1902 116.8989 58.6331 29.9049 177.1412 100 C 4.7192 8.0033 115.8193 59.2370 28.4004 175.7927 101 R 3.9080 7.6038 118.6347 58.9523 28.8602 177.1691 102 H 4.8512 7.9142 113.2542 55.2293 29.0829 174.4478 103 V 4.0044 7.7588 121.1189 62.9819 31.8031 175.5645 104 R 4.7227 9.3835 126.8969 56.8322 32.6054 174.8746 105 H 5.1446 8.1506 114.3169 54.0206 33.7543 171.7708 106 L 5.3126 8.9888 123.0666 53.4808 44.9016 175.0549 107 E 5.1473 8.8572 124.3783 55.2390 33.9222 174.5148 108 T 3.6832 7.9840 115.5535 61.4419 71.5379 171.6793 109 T 4.7308 7.9886 113.9079 59.7228 71.2136 174.2120 110 V 4.4127 7.7570 116.8152 59.0937 34.0258 174.8389 111 G 4.5472 8.8104 114.1914 42.3998 0.0000 169.6264 112 P 4.2550 0.0000 0.0000 66.0305 30.7208 177.4382 113 D 4.6684 8.0746 116.6471 54.8832 39.8780 175.7593 114 N 5.1076 8.2572 118.8953 51.2958 37.5308 176.2697 115 Q 4.1012 8.2956 120.6769 59.9739 29.4365 175.9774 116 A 4.1445 8.0442 121.0999 54.5515 18.3342 179.4026 117 S 4.1490 8.5207 114.7085 61.2201 62.8389 176.2535 118 R 4.0009 7.8642 121.6576 59.8263 29.6959 178.5736 119 R 3.9023 8.0078 116.7978 59.5841 30.0806 178.6027 120 T 3.7141 7.3309 114.8241 67.1063 68.3980 176.5279 121 F 4.0257 8.3128 118.9344 60.3696 38.9550 177.8714 122 A 4.1692 8.8768 121.0504 54.8796 18.1673 179.9233 123 G 3.5029 8.2591 104.3674 47.8598 0.0000 175.4045 124 L 3.8896 8.0064 123.3883 57.7635 41.9490 178.8129 125 A 4.1992 8.4753 120.9432 55.2414 18.2247 179.6944 126 G 3.6286 8.4353 104.4723 48.2498 0.0000 175.7060 127 E 4.1589 8.6862 119.6610 57.8852 29.5224 178.4856 128 R 4.5393 7.7594 115.8522 54.4345 31.0697 175.9811 129 G 3.9632 7.7083 106.4759 46.8850 0.0000 173.0728 130 A 4.8507 8.0047 118.5677 49.7628 22.2792 177.3800 131 H 4.6101 8.5768 116.1082 55.6587 30.3683 174.9484 132 V 5.0843 8.2668 119.8199 60.0986 34.1273 174.7787 133 S 4.8408 9.1494 117.1055 56.7896 66.9094 172.3883 134 E 5.4177 8.7510 119.4809 54.7816 32.3332 175.3190 135 Q 4.6694 8.7236 119.8036 53.6968 32.2244 173.0274 136 P 4.3801 0.0000 0.0000 62.7357 32.0316 176.5354 137 F 4.3320 9.2578 126.0697 60.7261 39.5666 175.7731 138 F 4.3088 8.1594 116.2189 58.3500 41.1337 175.4804 *150 D 4.4251 7.7700 117.8072 53.8315 42.0015 175.0104 151 E 4.3057 8.3688 121.9298 56.1609 31.6521 175.4112 *153 L 4.3960 8.2232 121.6384 55.1623 43.7562 174.8085 154 L 5.0522 8.7660 129.1632 53.7144 44.1752 175.1342 155 R 5.0567 9.0569 124.9917 54.4243 33.4307 174.4335 156 I 4.7033 10.1395 125.1407 58.7083 40.0591 176.6361 157 G 3.2135 7.7438 114.0202 43.2182 0.0000 170.8243 158 P 4.1998 0.0000 0.0000 62.4366 32.0947 176.2839 159 F 4.5167 8.3309 118.2283 57.9763 38.8649 175.7905 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 0 L 8.18 4.32 0.00 1.66 1.78 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 1 R 8.24 3.66 0.00 1.74 1.67 0.00 3.14 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.31 0.00 2 Y 7.82 4.83 0.00 2.91 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 3 H 9.34 4.91 0.00 3.17 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.28 5.15 0.00 1.31 1.23 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.39 4.58 0.00 1.87 1.87 0.00 2.82 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 6 P 0.00 5.09 0.00 2.01 2.30 0.00 3.76 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 7 P 0.00 4.67 0.00 2.26 2.20 0.00 3.97 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 8 R 9.36 4.71 0.00 1.83 1.86 0.00 3.17 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 9 R 8.64 3.84 0.00 1.98 1.95 0.00 3.18 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 10 N 8.00 4.74 0.00 2.74 2.84 0.00 0.00 6.93 8.06 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 11 D 8.44 4.61 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.81 3.73 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 0.00 0.00 0.00 13 A 7.94 3.98 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 14 A 7.83 3.87 1.30 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 15 I 7.79 3.26 1.52 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.43 -0.62 0.00 0.00 16 H 7.95 3.39 0.00 3.25 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.14 3.82 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 18 L 7.67 3.82 0.00 1.53 1.70 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.61 3.61 1.66 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 0.97 0.00 0.00 0.56 0.00 0.00 20 S 7.74 4.11 0.00 4.00 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 21 E 7.60 4.48 0.00 2.06 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 2.28 2.47 0.00 22 C 7.85 4.87 0.00 3.00 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 23 P 0.00 4.72 0.00 2.17 2.05 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 24 P 0.00 4.80 0.00 2.21 2.17 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 25 L 7.68 4.22 0.00 1.74 1.68 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.64 4.45 0.00 2.80 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 27 L 8.47 4.52 0.00 1.60 1.63 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.62 4.91 0.00 2.45 2.69 0.00 0.00 7.10 6.86 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 29 S 8.28 4.44 0.00 4.09 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 30 L 8.56 3.99 0.00 1.53 1.69 0.90 0.73 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 31 Y 8.14 4.11 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.84 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 33 Y 7.21 3.92 0.00 3.14 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 34 L 8.08 3.97 0.00 1.69 1.64 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.78 3.71 0.00 1.68 1.62 0.79 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.84 4.18 0.00 2.08 1.99 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.00 4.26 0.00 3.14 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 38 E 8.27 4.08 0.00 1.90 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 2.21 2.35 0.00 39 H 8.36 4.96 0.00 3.11 3.14 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.09 4.85 0.00 3.41 3.32 0.00 5.62 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 41 A 8.34 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.44 4.45 0.00 3.34 3.47 0.00 5.47 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.04 4.66 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 1.27 0.00 0.00 44 C 8.09 5.29 0.00 3.00 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 45 V 8.17 4.84 2.06 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 0.63 0.00 0.00 0.86 0.00 0.00 46 V 9.08 5.08 2.12 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 0.93 0.00 0.00 1.00 0.00 0.00 47 A 8.64 5.01 0.99 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 0.00 0.00 48 E 9.21 5.21 0.00 2.07 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 2.25 2.39 0.00 49 S 9.42 4.07 0.00 3.86 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 50 P 0.00 4.14 0.00 1.98 2.10 0.00 3.48 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 1.89 2.07 0.00 51 G 7.93 3.73 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 0.00 0.00 0.00 52 G 8.44 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.90 4.08 0.00 1.87 1.81 0.00 3.03 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 54 I 8.20 4.61 1.82 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 1.42 0.67 0.90 0.00 0.00 55 D 8.90 4.86 0.00 2.39 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.64 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.91 5.49 0.00 2.92 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 58 V 8.09 4.56 1.86 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 0.81 0.00 0.00 0.78 0.00 0.00 59 S 8.10 4.77 0.00 4.09 3.94 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 0.00 0.00 0.00 60 A 8.02 5.13 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 61 Y 8.14 5.04 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 62 L 8.70 4.74 0.00 1.69 1.74 1.00 1.09 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 63 L 8.79 4.36 0.00 1.97 1.64 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.31 0.00 2.05 2.14 0.00 3.74 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 65 T 7.78 4.34 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 1.20 0.00 0.00 66 R 7.80 4.73 0.00 1.88 1.86 0.00 3.12 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 67 P 0.00 4.48 0.00 2.23 2.23 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 68 D 8.16 4.81 0.00 2.81 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 4.80 2.26 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 1.01 0.00 0.00 0.98 0.00 0.00 70 L 8.84 4.91 0.00 1.87 1.58 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 71 F 9.19 4.83 0.00 2.92 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 72 V 7.48 4.29 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 73 W 9.36 4.79 0.00 3.57 3.38 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 74 Q 8.50 4.73 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.29 1.73 0.00 75 V 8.55 4.73 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 0.68 0.00 0.00 0.95 0.00 0.00 76 A 9.15 4.75 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 77 V 8.18 4.54 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 0.74 0.00 0.00 0.84 0.00 0.00 78 H 9.06 4.31 0.00 3.31 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.65 4.11 0.00 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.38 4.10 0.00 1.98 2.15 0.00 3.29 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 81 A 7.90 4.75 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.78 4.06 0.00 1.83 1.88 0.00 3.25 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 83 G 8.94 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 84 H 8.08 4.76 0.00 3.20 3.35 0.00 6.05 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.98 3.75 0.00 1.94 1.91 0.00 3.12 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 86 L 8.11 3.96 0.00 1.51 1.58 0.28 0.80 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 87 G 8.05 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 88 R 7.89 3.83 0.00 1.81 1.91 0.00 3.04 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.45 0.00 89 A 7.94 4.15 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 *91 L 8.13 4.18 0.00 1.74 1.69 0.37 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.28 3.57 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 0.00 93 H 8.13 4.04 0.00 3.27 3.30 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.66 3.86 1.96 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 1.63 0.75 0.90 0.00 0.00 95 L 7.79 4.00 0.00 1.65 1.47 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.73 4.21 0.00 1.92 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 2.23 2.39 0.00 97 R 7.25 4.12 0.00 2.00 2.06 0.00 3.24 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 98 Q 8.63 4.03 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 99 E 8.19 4.07 0.00 2.00 2.12 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 2.39 2.42 0.00 100 C 8.00 4.72 0.00 3.06 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 0.00 101 R 7.60 3.91 0.00 1.82 2.00 0.00 2.96 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.14 0.00 102 H 7.91 4.85 0.00 3.19 3.36 0.00 5.72 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 0.00 103 V 7.76 4.00 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 0.99 0.00 0.00 0.99 0.00 0.00 104 R 9.38 4.72 0.00 1.89 1.89 0.00 3.12 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.43 0.00 105 H 8.15 5.14 0.00 3.06 3.05 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.99 5.31 0.00 2.02 1.67 1.11 0.98 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 0.00 107 E 8.86 5.15 0.00 2.05 1.92 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 2.23 2.25 0.00 108 T 7.98 3.68 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 -0.14 0.00 0.00 109 T 7.99 4.73 3.99 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 0.46 0.00 0.00 110 V 7.76 4.41 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 111 G 8.81 4.55 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 0.00 112 P 0.00 4.25 0.00 2.21 2.25 0.00 4.07 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 113 D 8.07 4.67 0.00 3.09 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 0.00 114 N 8.26 5.11 0.00 2.88 3.02 0.00 0.00 6.44 7.06 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 0.00 115 Q 8.30 4.10 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 116 A 8.04 4.14 1.33 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 0.00 0.00 117 S 8.52 4.15 0.00 4.23 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 0.00 118 R 7.86 4.00 0.00 1.98 1.99 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 119 R 8.01 3.90 0.00 2.03 1.95 0.00 3.21 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 120 T 7.33 3.71 4.06 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 0.71 0.00 0.00 121 F 8.31 4.03 0.00 3.13 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 0.00 122 A 8.88 4.17 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.26 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 3.89 0.00 1.73 1.84 0.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.48 4.20 1.43 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 0.00 0.00 0.00 126 G 8.44 3.63 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 0.00 127 E 8.69 4.16 0.00 1.89 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 2.61 2.47 0.00 128 R 7.76 4.54 0.00 2.05 2.09 0.00 3.25 0.00 0.00 3.17 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 129 G 7.71 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.00 4.85 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 0.00 131 H 8.58 4.61 0.00 3.37 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.27 5.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.00 0.00 0.00 133 S 9.15 4.84 0.00 3.84 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 0.00 134 E 8.75 5.42 0.00 1.83 1.86 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 2.18 2.26 0.00 135 Q 8.72 4.67 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 136 P 0.00 4.38 0.00 1.99 2.10 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 137 F 9.26 4.33 0.00 2.91 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 0.00 138 F 8.16 4.31 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.77 4.43 0.00 2.73 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 0.00 151 E 8.37 4.31 0.00 2.08 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 2.50 2.40 0.00 *153 L 8.22 4.40 0.00 2.12 1.78 1.31 0.45 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 0.00 154 L 8.77 5.05 0.00 1.60 1.38 0.92 0.53 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 0.00 155 R 9.06 5.06 0.00 1.69 1.73 0.00 3.04 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 156 I 10.14 4.70 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.89 0.93 0.00 0.00 157 G 7.74 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 0.00 0.00 0.00 158 P 0.00 4.20 0.00 2.10 1.95 0.00 3.74 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 1.95 1.96 0.00 159 F 8.33 4.52 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.