NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3468 8.3144 122.0656 55.6802 34.6622 175.3581 4 L 4.6305 8.2484 123.0358 53.0764 44.3642 173.6721 5 T 4.8766 8.7738 123.6652 62.4745 70.4126 174.0587 6 V 4.6409 8.6862 125.7236 61.3782 35.3115 173.9740 7 Y 5.0272 8.8183 125.1674 57.6282 39.1615 174.4747 8 L 4.9608 8.9775 122.8908 53.0507 43.7305 177.1225 9 A 3.4831 7.8774 126.1128 50.0589 17.2430 177.3270 10 T 4.2490 7.1201 112.4525 61.8396 70.5784 172.5599 11 T 4.2830 8.3933 121.2706 61.6951 68.0980 174.0094 12 N 4.2976 8.1735 120.0388 53.7096 39.5095 173.2814 13 P 4.1211 0.0000 0.0000 66.2355 31.2992 178.1481 14 H 3.8007 7.6265 115.8064 58.3303 28.4147 177.8788 15 K 3.8595 7.7303 119.8064 59.3588 31.8859 179.4090 16 V 3.5227 7.7425 120.9685 66.4094 31.4129 178.4863 17 E 3.8657 8.1181 118.0753 61.3385 29.3749 180.8969 18 E 4.1074 7.8085 118.4346 59.0534 29.8296 179.4141 19 I 3.6439 7.5994 119.7992 64.0443 37.0801 178.2575 20 K 3.7759 8.0002 119.7397 59.7934 31.7507 178.8524 21 M 4.2322 7.8978 114.9426 56.7240 31.3171 176.6934 22 I 4.3116 7.2539 111.3148 60.0891 38.7609 175.7583 23 A 3.5050 7.3882 125.0123 51.5553 18.8772 175.9178 24 P 4.2026 0.0000 0.0000 62.6267 32.0836 178.1163 25 E 3.9123 8.4981 115.6100 58.3825 29.9258 179.0449 26 W 4.5498 7.7796 112.7646 57.5096 28.9357 174.7489 27 M 4.8492 7.2587 120.1848 53.7334 33.4546 174.3349 28 E 4.3687 9.3181 128.1315 54.8685 31.3801 174.4259 29 I 4.7102 8.1728 128.4440 59.9345 38.4965 175.2011 30 L 4.9364 8.6487 127.6889 51.9266 44.8020 174.4810 31 P 4.7258 0.0000 0.0000 62.4072 32.4328 176.0025 32 S 4.0855 8.1754 116.5334 58.3138 62.5922 172.3658 33 P 4.6053 0.0000 0.0000 63.5213 31.2593 176.4176 *34 E 4.6066 7.8158 117.0197 54.5025 33.5172 180.3071 *35 K 4.2785 8.6822 125.3443 53.5005 31.9715 174.1803 36 I 4.2782 8.0357 127.9521 58.6751 39.0164 176.1768 37 E 4.1398 8.5383 121.3875 55.6180 30.1568 174.1482 38 V 4.2992 8.1436 123.0817 59.7206 33.9269 174.9859 39 V 3.7271 8.4752 127.2484 63.2309 30.9659 175.7717 40 E 4.4244 8.5085 129.7502 55.0324 27.8322 175.8797 41 D 4.9234 8.0295 119.1732 52.5998 40.3077 177.8183 42 G 3.7796 8.3138 108.7378 45.8871 0.0000 174.5291 43 E 4.0504 8.6187 122.3132 57.8101 30.3957 176.8680 44 T 4.4988 7.1358 105.1374 58.9077 73.3001 174.7308 45 F 4.5514 8.0202 121.1579 60.0970 38.8600 177.5070 46 L 4.3147 7.9833 120.7714 57.7969 41.9062 178.7930 47 E 3.9629 8.0564 117.8513 59.5395 29.3873 179.1741 48 N 4.4379 8.1624 116.1513 56.1178 38.6331 177.5290 49 S 4.1240 8.4996 115.0658 61.3303 62.4502 176.3846 50 V 3.5478 8.0368 121.1714 65.7595 31.1957 177.8347 51 K 3.8794 8.1071 119.3001 59.5113 32.0853 178.8490 52 K 4.0851 8.2261 118.4347 59.4926 31.9242 179.1193 53 A 4.0928 8.1145 120.9790 55.2354 18.2291 179.9421 54 V 3.2387 7.9773 116.8490 65.9296 31.6339 178.4140 55 V 3.6084 8.0788 118.1739 66.3624 31.3833 177.6654 56 Y 4.0319 8.5376 116.6097 60.9170 37.7399 178.6431 57 G 3.7810 8.7192 106.9132 47.9611 0.0000 175.9126 58 K 4.1958 8.5108 122.6024 59.5591 32.0830 180.0811 59 K 4.1363 7.7379 122.8366 59.7380 31.8509 181.4730 60 L 4.3006 8.2811 119.0683 54.4043 42.1081 177.0091 61 K 3.9114 8.0381 117.0834 56.7373 30.2058 174.4061 62 H 4.8139 7.9169 114.3268 53.8669 33.2307 170.6901 63 P 4.3664 0.0000 0.0000 63.5702 32.2312 175.6391 64 V 5.2183 8.6207 115.6567 60.0460 36.4892 174.3054 65 M 5.5389 9.4158 121.5472 53.8615 35.9248 174.6012 66 A 5.1661 9.3207 122.8834 50.2169 23.4116 174.4447 67 D 5.1809 8.6258 117.6261 52.6705 43.8841 174.0456 68 D 5.1339 9.0270 125.2196 52.7336 44.4830 174.6654 69 S 4.3211 8.3946 119.8374 57.3710 68.0913 172.6450 70 G 4.2517 8.0748 106.9382 46.0262 0.0000 171.9143 71 L 4.5947 8.3178 122.8080 53.2872 43.9408 175.2909 72 V 4.6742 8.6313 126.1842 60.3002 34.2162 174.1269 73 I 4.2014 8.0941 129.9856 59.7517 38.0356 176.4473 74 Y 4.3891 8.2033 126.2612 61.1615 38.2776 178.9864 75 S 4.2457 8.3928 111.8014 60.0469 63.7821 174.4191 76 L 4.5464 7.4739 122.3740 54.4088 41.8248 177.0998 77 G 3.9563 9.3234 104.1566 46.5702 0.0000 175.5389 78 G 3.9006 8.3875 107.3013 44.5489 0.0000 174.2108 79 F 4.1436 7.8873 122.2240 57.4363 40.0837 174.2088 80 P 3.0884 0.0000 0.0000 62.7670 32.8392 177.4591 81 G 3.8104 8.0902 108.4065 46.6572 0.0000 177.6394 82 V 3.8270 8.2516 117.8219 63.5565 31.5542 176.1274 83 M 4.5838 8.0238 119.9401 55.3963 31.9626 178.1800 84 S 4.2427 8.2112 117.5779 61.8966 63.2029 175.9943 85 A 4.4973 8.1607 120.4451 54.2157 18.7050 178.6790 86 R 4.0120 8.0704 114.6673 58.8555 30.4616 176.5932 87 F 4.2891 8.5579 121.0483 59.7168 39.6553 174.5010 88 M 2.9955 8.4389 128.6016 55.9442 29.3820 178.7275 89 E 3.8528 8.1753 116.5533 58.9464 30.0438 177.3458 90 E 4.1953 8.0066 116.7774 56.9531 29.9613 175.6530 91 H 4.7281 7.8013 116.9961 53.8449 31.0035 175.4708 92 S 4.3465 8.0985 115.8768 58.3532 64.8868 174.7970 93 Y 3.7111 8.5168 120.6268 61.0826 37.4967 179.2639 94 K 4.0463 8.0496 119.0140 59.5346 32.2520 178.9921 95 E 3.9705 8.1638 118.7937 59.2132 29.3440 179.4541 96 K 4.0515 8.0091 118.4848 59.9001 32.1256 179.2808 97 M 3.8858 8.3998 119.1678 58.4107 31.6709 178.9886 98 R 4.0489 8.2179 118.2552 59.6545 30.1908 179.2918 99 T 3.9947 8.1517 115.4261 66.8514 68.3726 176.9135 100 I 3.9824 8.3344 121.8025 64.2749 36.9168 178.3795 101 L 4.1109 8.4975 119.7164 57.8925 41.6464 179.3935 102 K 4.1606 8.0144 118.4905 59.7690 31.7578 179.2514 103 M 4.0955 7.7247 117.6771 57.8883 32.1474 177.7914 104 L 4.4839 7.5802 117.0914 53.4446 41.9637 176.2101 105 E 4.1465 7.4044 120.4383 57.7770 29.5937 177.3100 106 G 3.9174 9.0532 111.4550 45.5122 0.0000 172.7037 107 K 4.6446 7.6846 117.5611 53.5367 35.2836 175.6277 108 D 4.3574 8.5450 120.3331 55.1697 41.5598 176.2835 109 R 4.3861 8.3977 123.4356 56.0353 31.6331 176.0833 110 R 4.4413 8.4520 121.5198 56.9475 31.3690 175.2248 111 A 4.6803 8.8758 125.7552 51.2895 23.6350 174.4058 112 A 5.2035 8.5097 119.2221 50.8553 23.2633 175.4525 113 F 4.8817 8.4270 118.9840 56.1727 41.1218 175.2917 114 V 4.7871 8.5498 122.5787 61.1236 34.8409 173.6622 115 C 5.0569 8.9916 127.1579 56.4172 34.9880 172.1919 116 S 5.0481 9.0252 121.3110 56.7029 64.0321 172.2234 117 A 4.7938 8.6595 129.9928 50.3336 21.1457 175.2834 118 T 5.0896 8.7927 119.1371 61.6775 72.4930 172.6824 119 F 5.4048 9.4497 129.0824 56.5544 41.8899 174.0542 120 F 5.2436 8.6173 127.8381 56.5030 42.6840 172.7492 121 D 4.5953 8.5536 127.0116 51.8918 41.7252 174.9207 122 P 3.7357 0.0000 0.0000 63.5758 32.0825 177.7257 123 V 3.7760 7.8886 119.3933 65.8136 31.6367 177.0678 124 E 4.0635 8.2535 116.6131 56.9722 30.1057 176.1212 125 N 4.4087 7.8821 115.1714 54.8208 36.4714 174.3832 126 T 4.7672 7.6373 114.1559 61.8334 71.4054 174.9300 127 L 5.4504 8.7508 127.8102 53.3638 45.1580 175.4224 128 I 4.7288 9.2117 126.2989 59.6550 40.7892 174.2190 129 S 5.1947 8.8277 121.1981 56.5927 65.1009 173.3447 130 V 4.6044 8.6823 118.7956 59.6269 36.0487 173.8978 131 E 5.1579 8.6660 123.3362 54.9018 32.5600 173.9466 132 D 4.8911 8.8672 123.6965 53.7153 45.5848 173.4249 133 R 5.2621 8.3580 115.7134 54.8328 32.7913 174.7732 134 V 4.5527 8.7313 119.8587 60.1161 33.7701 174.7829 135 E 4.6758 9.0347 125.3637 56.1040 31.1171 175.8902 136 G 3.8730 9.1045 110.2415 46.2507 0.0000 172.3755 137 R 5.0589 7.7561 118.7055 54.7236 33.4442 174.8527 138 I 4.1547 8.1197 122.0371 60.5409 37.7090 176.1116 139 A 4.2229 8.4520 129.1701 52.0402 18.8158 177.2277 140 N 4.5809 8.7650 115.5613 54.4664 39.2369 175.2759 141 E 4.8314 7.6181 114.1822 54.3914 32.6341 174.7241 142 I 4.2240 8.2830 121.0032 61.4980 38.0180 176.1611 143 R 4.4941 9.0546 123.7817 55.5628 33.5799 176.2956 144 G 4.2354 9.1077 107.3798 46.1368 0.0000 172.8590 145 T 4.5383 8.1877 106.3385 60.8553 69.5071 174.3341 146 G 3.8250 8.2844 112.4814 46.3477 0.0000 174.5382 147 G 3.9245 9.3114 106.3773 45.6173 0.0000 172.1441 148 F 4.7183 9.1057 116.9069 55.8954 42.1636 177.2289 149 G 2.0125 7.5545 111.1060 46.8105 0.0000 174.9836 150 Y 4.4019 8.1912 122.9040 58.0869 38.4837 176.4628 151 D 4.8414 8.2058 121.8130 57.2385 41.0808 177.2083 152 P 4.8875 0.0000 0.0000 63.3210 32.2110 177.4229 153 F 5.2573 8.9606 114.6299 56.2665 39.7152 173.8082 154 F 4.8673 8.8392 122.9253 57.0220 41.3876 174.2226 155 I 4.5327 7.7317 128.1143 58.6807 38.9186 173.7734 156 P 4.5337 0.0000 0.0000 62.0365 32.5898 175.6960 157 D 4.4265 8.7709 121.6338 56.6521 41.1715 178.1688 158 G 3.8043 9.5870 111.6447 45.2594 0.0000 172.3697 159 Y 4.6761 7.4098 114.9885 56.5008 41.7952 174.8546 160 D 4.8602 8.7749 119.0001 54.0314 42.2135 176.4533 161 K 4.7800 7.7721 118.6217 54.4316 34.5077 176.1690 162 T 4.4383 8.6587 112.0803 61.1804 69.2732 175.8136 163 F 4.6072 9.0918 121.3129 60.4453 39.3282 178.4333 164 G 3.9548 8.3764 109.6991 47.7187 0.0000 175.5717 165 E 4.0864 8.1880 119.2977 58.2739 30.4947 177.2342 166 I 4.7897 8.0763 111.0678 58.3859 37.4060 174.6024 167 P 4.4667 0.0000 0.0000 66.0401 31.6743 178.0165 168 H 4.2261 8.3541 114.6253 58.4056 28.2368 176.8669 169 L 4.1556 7.7008 120.7896 56.3029 41.4756 179.0435 170 K 3.5509 7.7716 119.4075 59.1547 31.6055 178.5672 171 E 3.9006 7.5269 117.5370 58.7665 29.5083 178.5324 172 K 4.3167 7.8846 117.1139 57.7982 32.9870 177.4256 173 I 4.5088 7.6371 108.6518 60.1227 38.7319 176.4252 174 S 4.5119 8.0632 117.7778 58.2977 64.7663 174.3576 175 H 4.0726 9.0887 119.3200 59.4012 27.8268 177.5150 176 R 3.8729 7.4026 120.6422 59.0845 30.0380 178.4671 177 S 4.1473 8.0832 114.9851 61.5094 62.7888 176.9208 178 K 3.9824 8.3440 121.1243 59.3257 31.7408 179.3617 179 A 3.8631 8.3267 121.4641 55.2230 18.3084 179.7853 180 F 3.3557 8.2247 116.3389 60.3652 38.8199 178.1628 181 R 4.0060 8.0379 117.8239 59.0225 29.9677 178.9511 182 K 3.8731 8.1052 119.4872 59.3225 32.1141 178.5620 183 L 3.8726 7.8651 120.7765 58.2781 41.9208 178.9670 184 F 4.5901 8.2918 118.0114 60.6368 38.6578 177.5276 185 S 4.1852 8.4882 113.0253 61.4119 62.1979 176.3989 186 V 3.6042 7.7028 120.3643 66.1692 31.3381 177.9332 187 L 3.9632 8.2343 118.7794 57.9352 41.2056 179.4186 188 E 3.7622 8.4544 117.9392 59.0544 29.3863 179.4049 189 K 4.0921 7.5997 118.2533 59.1361 32.3582 178.8009 190 I 4.1302 7.5149 110.6540 61.6575 38.2673 175.6227 191 L 4.1616 7.6550 125.0815 54.8378 41.5854 176.2323 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 3 K 8.31 4.35 0.00 1.85 2.20 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.39 7.81 4 L 8.25 4.63 0.00 2.08 1.77 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.77 4.88 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 1.00 0.00 0.00 6 V 8.69 4.64 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 1.32 0.00 0.00 1.12 0.00 0.00 7 Y 8.82 5.03 0.00 3.07 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 8 L 8.98 4.96 0.00 1.57 1.52 0.80 1.10 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 9 A 7.88 3.48 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.12 4.25 4.19 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 1.14 0.00 0.00 11 T 8.39 4.28 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 1.24 0.00 0.00 12 N 8.17 4.30 0.00 2.79 2.65 0.00 0.00 6.91 7.17 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 13 P 0.00 4.12 0.00 2.00 2.13 0.00 3.59 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 1.70 1.90 0.00 14 H 7.63 3.80 0.00 1.52 1.99 0.00 5.62 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 15 K 7.73 3.86 0.00 1.84 1.77 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.49 7.81 16 V 7.74 3.52 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 0.98 0.00 0.00 0.88 0.00 0.00 17 E 8.12 3.87 0.00 2.01 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 2.25 2.23 0.00 18 E 7.81 4.11 0.00 1.88 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 2.27 2.43 0.00 19 I 7.60 3.64 1.55 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.76 0.38 0.00 0.00 20 K 8.00 3.78 0.00 1.94 1.79 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.36 7.81 21 M 7.90 4.23 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.72 0.00 22 I 7.25 4.31 1.96 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 1.46 0.94 0.91 0.00 0.00 23 A 7.39 3.51 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 24 P 0.00 4.20 0.00 1.08 1.86 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.20 0.00 25 E 8.50 3.91 0.00 2.01 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 1.87 0.00 26 W 7.78 4.55 0.00 3.48 3.28 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 27 M 7.26 4.85 0.00 1.27 0.67 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 28 E 9.32 4.37 0.00 1.98 1.74 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 2.14 2.20 0.00 29 I 8.17 4.71 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.85 0.00 0.00 30 L 8.65 4.94 0.00 1.38 1.56 0.75 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 31 P 0.00 4.73 0.00 2.10 2.05 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 32 S 8.18 4.09 0.00 4.21 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 33 P 0.00 4.61 0.00 2.01 2.06 0.00 3.33 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 *34 E 7.82 4.61 0.00 1.88 1.64 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 2.15 2.11 0.00 *35 K 8.68 4.28 0.00 1.77 1.65 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.03 7.81 36 I 8.04 4.28 0.56 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.81 0.54 0.00 0.00 37 E 8.54 4.14 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.86 0.00 38 V 8.14 4.30 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 1.09 0.00 0.00 39 V 8.48 3.73 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 0.93 0.00 0.00 0.94 0.00 0.00 40 E 8.51 4.42 0.00 2.05 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 0.00 2.34 2.52 0.00 41 D 8.03 4.92 0.00 2.76 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 42 G 8.31 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.79 5.09 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 0.00 119 F 9.45 5.40 0.00 3.23 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 0.00 120 F 8.62 5.24 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.55 4.60 0.00 2.66 2.50 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 0.00 122 P 0.00 3.74 0.00 2.03 1.56 0.00 3.45 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 123 V 7.89 3.78 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 0.77 0.00 0.00 0.88 0.00 0.00 124 E 8.25 4.06 0.00 2.03 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 2.40 2.30 0.00 125 N 7.88 4.41 0.00 2.95 3.00 0.00 0.00 6.87 7.16 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 0.00 126 T 7.64 4.77 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 127 L 8.75 5.45 0.00 1.67 1.54 0.62 1.00 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 0.00 128 I 9.21 4.73 2.05 0.00 0.00 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 1.38 1.01 0.96 0.00 0.00 129 S 8.83 5.19 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.68 4.60 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 0.65 0.00 0.00 0.81 0.00 0.00 131 E 8.67 5.16 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 132 D 8.87 4.89 0.00 2.69 2.45 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 0.00 133 R 8.36 5.26 0.00 1.94 2.01 0.00 3.22 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 134 V 8.73 4.55 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.30 0.00 0.00 135 E 9.03 4.68 0.00 2.20 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 2.49 2.34 0.00 136 G 9.10 3.87 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 0.00 0.00 0.00 137 R 7.76 5.06 0.00 1.68 1.83 0.00 2.66 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 138 I 8.12 4.15 1.55 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.39 -0.09 0.00 0.00 139 A 8.45 4.22 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.76 4.58 0.00 2.73 2.89 0.00 0.00 6.69 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 0.00 141 E 7.62 4.83 0.00 2.07 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 2.32 0.00 142 I 8.28 4.22 1.94 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 1.45 0.66 0.96 0.00 0.00 143 R 9.05 4.49 0.00 1.86 1.82 0.00 3.28 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 144 G 9.11 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 0.00 0.00 0.00 0.00 145 T 8.19 4.54 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 1.24 0.00 0.00 146 G 8.28 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 0.00 147 G 9.31 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 0.00 0.00 0.00 148 F 9.11 4.72 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.55 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 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 8.19 4.40 0.00 3.37 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 0.00 151 D 8.21 4.84 0.00 2.78 2.91 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 0.00 152 P 0.00 4.89 0.00 2.12 2.36 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 153 F 8.96 5.26 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.84 4.87 0.00 3.28 3.28 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 0.00 155 I 7.73 4.53 1.57 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 1.19 0.37 0.80 0.00 0.00 156 P 0.00 4.53 0.00 2.14 1.98 0.00 3.58 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.18 0.00 157 D 8.77 4.43 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 G 9.59 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 0.00 159 Y 7.41 4.68 0.00 2.99 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 0.00 160 D 8.77 4.86 0.00 2.65 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 0.00 161 K 7.77 4.78 0.00 1.79 1.76 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.45 7.81 162 T 8.66 4.44 4.64 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 1.39 0.00 0.00 163 F 9.09 4.61 0.00 3.40 2.96 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 0.00 164 G 8.38 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 0.00 165 E 8.19 4.09 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 166 I 8.08 4.79 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.92 1.00 0.00 0.00 167 P 0.00 4.47 0.00 2.28 2.52 0.00 4.03 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 168 H 8.35 4.23 0.00 3.37 3.60 0.00 5.45 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.70 4.16 0.00 1.70 1.60 0.52 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 170 K 7.77 3.55 0.00 1.62 1.48 0.00 1.15 0.00 0.00 1.22 0.00 0.00 2.46 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.30 0.68 7.81 171 E 7.53 3.90 0.00 1.97 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 2.30 2.48 0.00 172 K 7.88 4.32 0.00 1.80 1.89 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 173 I 7.64 4.51 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.97 1.03 0.00 0.00 174 S 8.06 4.51 0.00 3.91 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 0.00 175 H 9.09 4.07 0.00 3.40 3.76 0.00 5.46 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 0.00 176 R 7.40 3.87 0.00 1.62 1.75 0.00 3.30 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 177 S 8.08 4.15 0.00 3.91 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 0.00 178 K 8.34 3.98 0.00 1.88 2.05 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.55 7.81 179 A 8.33 3.86 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 F 8.22 3.36 0.00 3.03 2.44 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 0.00 181 R 8.04 4.01 0.00 1.95 2.04 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 182 K 8.11 3.87 0.00 1.90 1.91 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 183 L 7.87 3.87 0.00 1.56 1.42 0.98 1.17 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 0.00 184 F 8.29 4.59 0.00 3.20 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 0.00 185 S 8.49 4.19 0.00 4.02 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 0.00 186 V 7.70 3.60 2.24 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 0.99 0.00 0.00 0.94 0.00 0.00 187 L 8.23 3.96 0.00 2.15 1.80 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 188 E 8.45 3.76 0.00 2.16 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 0.00 2.38 2.94 0.00 189 K 7.60 4.09 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 190 I 7.51 4.13 1.87 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 1.71 0.54 0.91 0.00 0.00 191 L 7.66 4.16 0.00 1.51 1.48 0.77 0.68 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 * Residues marked with a * may have inaccurate shift predictions.